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(NC[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000122009353 295663453 /nfs/dbraw/zinc/66/34/53/295663453.db2.gz UAVFXRVPZXKCHF-XEZPLFJOSA-N 1 3 326.416 -0.205 20 0 EBADHO CN1CCN(c2ncc(CNCC3(O)CC[NH+](C)CC3)cn2)CC1 ZINC000344557033 282970188 /nfs/dbraw/zinc/97/01/88/282970188.db2.gz UWLQSYIKDYDRKY-UHFFFAOYSA-N 1 3 334.468 -0.225 20 0 EBADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629793304 541315068 /nfs/dbraw/zinc/31/50/68/541315068.db2.gz FAKHNCFEDPEAJI-ZDUSSCGKSA-N 1 3 328.457 -0.391 20 0 EBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)C2)C1 ZINC000643593604 375922262 /nfs/dbraw/zinc/92/22/62/375922262.db2.gz XUKWALGDHZRFLQ-VKJFTORMSA-N 1 3 334.464 -0.001 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768973 376088810 /nfs/dbraw/zinc/08/88/10/376088810.db2.gz YWPJEQPANZRWOC-CVEARBPZSA-N 1 3 340.493 -0.248 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000557226159 376166928 /nfs/dbraw/zinc/16/69/28/376166928.db2.gz JREVOUTYGOSMEQ-UHFFFAOYSA-N 1 3 335.452 -0.144 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000584172871 376215955 /nfs/dbraw/zinc/21/59/55/376215955.db2.gz IYNKNGUOUYPVDA-ILXRZTDVSA-N 1 3 341.500 -0.382 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000566090504 376345901 /nfs/dbraw/zinc/34/59/01/376345901.db2.gz ILBLCWLEUZETQO-LSDHHAIUSA-N 1 3 341.500 -0.476 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892962 376528205 /nfs/dbraw/zinc/52/82/05/376528205.db2.gz JRSYOKZCLDHNBA-GJZGRUSLSA-N 1 3 337.468 -0.907 20 0 EBADHO COCCN(C)C[C@H](O)C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000559638046 376598800 /nfs/dbraw/zinc/59/88/00/376598800.db2.gz QORKUCFSQUNUMG-KRWDZBQOSA-N 1 3 329.485 -0.030 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561249417 376820798 /nfs/dbraw/zinc/82/07/98/376820798.db2.gz UTTFTGNWZOIHLS-QGZVFWFLSA-N 1 3 340.468 -0.327 20 0 EBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000569891107 377181512 /nfs/dbraw/zinc/18/15/12/377181512.db2.gz PHOONYLBMFAVSG-JKSUJKDBSA-N 1 3 342.484 -0.836 20 0 EBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000569891107 377181519 /nfs/dbraw/zinc/18/15/19/377181519.db2.gz PHOONYLBMFAVSG-JKSUJKDBSA-N 1 3 342.484 -0.836 20 0 EBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000569957970 377187805 /nfs/dbraw/zinc/18/78/05/377187805.db2.gz YIOODFHFNJSFLC-KFWWJZLASA-N 1 3 338.452 -0.352 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@@H](CN)C1 ZINC000570919191 377300010 /nfs/dbraw/zinc/30/00/10/377300010.db2.gz IBSONJAPVYZCDZ-YOEHRIQHSA-N 1 3 337.468 -0.968 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@@H](CN)C1 ZINC000570919191 377300013 /nfs/dbraw/zinc/30/00/13/377300013.db2.gz IBSONJAPVYZCDZ-YOEHRIQHSA-N 1 3 337.468 -0.968 20 0 EBADHO CCN1CCN(CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000580069404 377352527 /nfs/dbraw/zinc/35/25/27/377352527.db2.gz BTOINHISKDOHLH-OAHLLOKOSA-N 1 3 349.483 -0.040 20 0 EBADHO CN1CCC[C@@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000591871152 377757983 /nfs/dbraw/zinc/75/79/83/377757983.db2.gz SIUDSQIFAKDWPQ-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000591871152 377757992 /nfs/dbraw/zinc/75/79/92/377757992.db2.gz SIUDSQIFAKDWPQ-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595274735 377988399 /nfs/dbraw/zinc/98/83/99/377988399.db2.gz URQVIHUOKWBYDP-KGLIPLIRSA-N 1 3 325.457 -0.082 20 0 EBADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595274735 377988404 /nfs/dbraw/zinc/98/84/04/377988404.db2.gz URQVIHUOKWBYDP-KGLIPLIRSA-N 1 3 325.457 -0.082 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000563095371 378416562 /nfs/dbraw/zinc/41/65/62/378416562.db2.gz QEBYSMVOPHIORZ-OLZOCXBDSA-N 1 3 342.440 -0.626 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000563095371 378416571 /nfs/dbraw/zinc/41/65/71/378416571.db2.gz QEBYSMVOPHIORZ-OLZOCXBDSA-N 1 3 342.440 -0.626 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000563143446 378452149 /nfs/dbraw/zinc/45/21/49/378452149.db2.gz NAHZDGOCCUMCTJ-STQMWFEESA-N 1 3 327.473 -0.629 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339652657 378966696 /nfs/dbraw/zinc/96/66/96/378966696.db2.gz ZLLBGDRPCYSFSM-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458447937 379221898 /nfs/dbraw/zinc/22/18/98/379221898.db2.gz XBPWZGXCGSYJBQ-LSDHHAIUSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458447937 379221906 /nfs/dbraw/zinc/22/19/06/379221906.db2.gz XBPWZGXCGSYJBQ-LSDHHAIUSA-N 1 3 328.457 -0.147 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000627302226 379231646 /nfs/dbraw/zinc/23/16/46/379231646.db2.gz DEILNNLAUHPZIZ-UONOGXRCSA-N 1 3 326.441 -0.530 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320164 379322850 /nfs/dbraw/zinc/32/28/50/379322850.db2.gz TVXBGKQBXJNVHS-AWEZNQCLSA-N 1 3 340.468 -0.009 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000627332320 379341877 /nfs/dbraw/zinc/34/18/77/379341877.db2.gz WSCKMVKYSRDODH-AWEZNQCLSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312055 379304672 /nfs/dbraw/zinc/30/46/72/379304672.db2.gz NWYQZMNDQXTGDL-KGLIPLIRSA-N 1 3 340.468 -0.153 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)C[NH2+]1 ZINC000627483870 379454550 /nfs/dbraw/zinc/45/45/50/379454550.db2.gz MOUAKYYHIGAGGI-KGLIPLIRSA-N 1 3 327.473 -0.805 20 0 EBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000642640918 379538635 /nfs/dbraw/zinc/53/86/35/379538635.db2.gz LUBMHOXZIRVDCJ-GDBMZVCRSA-N 1 3 348.447 -0.143 20 0 EBADHO CO[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488036758 379508589 /nfs/dbraw/zinc/50/85/89/379508589.db2.gz SQZFZCGNEGYIDJ-FPCVCCKLSA-N 1 3 332.441 -0.306 20 0 EBADHO CO[C@@H]1CN(CCOCC[N@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488036758 379508605 /nfs/dbraw/zinc/50/86/05/379508605.db2.gz SQZFZCGNEGYIDJ-FPCVCCKLSA-N 1 3 332.441 -0.306 20 0 EBADHO CO[C@@H]1C[NH+](CCOCCN2C[C@@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488036758 379508612 /nfs/dbraw/zinc/50/86/12/379508612.db2.gz SQZFZCGNEGYIDJ-FPCVCCKLSA-N 1 3 332.441 -0.306 20 0 EBADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624125990 379512503 /nfs/dbraw/zinc/51/25/03/379512503.db2.gz TVJXZNDRWQOULX-MRXNPFEDSA-N 1 3 329.408 -0.230 20 0 EBADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624125990 379512514 /nfs/dbraw/zinc/51/25/14/379512514.db2.gz TVJXZNDRWQOULX-MRXNPFEDSA-N 1 3 329.408 -0.230 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000627405228 379583848 /nfs/dbraw/zinc/58/38/48/379583848.db2.gz XEIOBODCTNRYAD-UHFFFAOYSA-N 1 3 326.441 -0.575 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000627428587 379592250 /nfs/dbraw/zinc/59/22/50/379592250.db2.gz JGQDULATJFXWJK-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428849 379596096 /nfs/dbraw/zinc/59/60/96/379596096.db2.gz QASZWLXDENGZFO-BPLDGKMQSA-N 1 3 338.452 -0.387 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[NH2+]1 ZINC000627483781 379631541 /nfs/dbraw/zinc/63/15/41/379631541.db2.gz LBCGHIRMEBZORP-HUUCEWRRSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488703 379636292 /nfs/dbraw/zinc/63/62/92/379636292.db2.gz GRBDHMGRHJNXQT-ZIAGYGMSSA-N 1 3 328.457 -0.153 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000627461675 379610389 /nfs/dbraw/zinc/61/03/89/379610389.db2.gz WROVFXSEBBIDEB-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000627462646 379612087 /nfs/dbraw/zinc/61/20/87/379612087.db2.gz ZJLLIBJILPZWGH-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCCO1 ZINC000642190884 379733785 /nfs/dbraw/zinc/73/37/85/379733785.db2.gz AKANHFKKDKJSLP-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO COC[C@@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000276056200 379806087 /nfs/dbraw/zinc/80/60/87/379806087.db2.gz UVGHUNLWGQHHJV-YDBVJNLESA-N 1 3 326.441 -0.531 20 0 EBADHO COC[C@@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000276056200 379806093 /nfs/dbraw/zinc/80/60/93/379806093.db2.gz UVGHUNLWGQHHJV-YDBVJNLESA-N 1 3 326.441 -0.531 20 0 EBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000631825634 379761719 /nfs/dbraw/zinc/76/17/19/379761719.db2.gz ORZYDBASZDPOOJ-ZDUSSCGKSA-N 1 3 346.497 -0.413 20 0 EBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000626978733 379771548 /nfs/dbraw/zinc/77/15/48/379771548.db2.gz JWBCRAVHRVVIRN-UONOGXRCSA-N 1 3 325.457 -0.558 20 0 EBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000626978733 379771551 /nfs/dbraw/zinc/77/15/51/379771551.db2.gz JWBCRAVHRVVIRN-UONOGXRCSA-N 1 3 325.457 -0.558 20 0 EBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000626978733 379771557 /nfs/dbraw/zinc/77/15/57/379771557.db2.gz JWBCRAVHRVVIRN-UONOGXRCSA-N 1 3 325.457 -0.558 20 0 EBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000637799312 379843234 /nfs/dbraw/zinc/84/32/34/379843234.db2.gz XWAVUGOCBVUQTM-QGZVFWFLSA-N 1 3 333.480 -0.143 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000642329776 379812134 /nfs/dbraw/zinc/81/21/34/379812134.db2.gz OKYDEQKRJVOIDA-LXTVHRRPSA-N 1 3 340.468 -0.202 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633088249 379932069 /nfs/dbraw/zinc/93/20/69/379932069.db2.gz FMRUPJJZBYEBTK-HUUCEWRRSA-N 1 3 342.484 -0.144 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@H]1N1CCN(C)CC1 ZINC000633102151 379938030 /nfs/dbraw/zinc/93/80/30/379938030.db2.gz RBAXBKGKIAGMSY-FXUDXRNXSA-N 1 3 349.479 -0.957 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354730735 380089523 /nfs/dbraw/zinc/08/95/23/380089523.db2.gz APSVNNCRZPZLQB-GJZGRUSLSA-N 1 3 339.484 -0.613 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638098973 380131702 /nfs/dbraw/zinc/13/17/02/380131702.db2.gz QVLFXSINPYUIMF-YOEHRIQHSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000564827215 380381157 /nfs/dbraw/zinc/38/11/57/380381157.db2.gz GCYUDWLRYCELLX-AWEZNQCLSA-N 1 3 325.457 -0.968 20 0 EBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564943667 380386885 /nfs/dbraw/zinc/38/68/85/380386885.db2.gz HEEGMFXGKSWKLQ-LBPRGKRZSA-N 1 3 345.411 -0.412 20 0 EBADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565240575 380409073 /nfs/dbraw/zinc/40/90/73/380409073.db2.gz YQHNLYHWUWOAPR-QEJZJMRPSA-N 1 3 341.415 -0.192 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H](CN)C1 ZINC000569093267 380629948 /nfs/dbraw/zinc/62/99/48/380629948.db2.gz PSRWJQAXPIQGMH-HUUCEWRRSA-N 1 3 337.468 -0.968 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340794455 380632319 /nfs/dbraw/zinc/63/23/19/380632319.db2.gz HEUIIISNHDLWBA-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340794455 380632322 /nfs/dbraw/zinc/63/23/22/380632322.db2.gz HEUIIISNHDLWBA-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287555 380593250 /nfs/dbraw/zinc/59/32/50/380593250.db2.gz CNNRVVFXFVCCOH-KXCXXGIZSA-N 1 3 335.452 -0.154 20 0 EBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000573793011 380686483 /nfs/dbraw/zinc/68/64/83/380686483.db2.gz FYPYENKDBLCENB-YOEHRIQHSA-N 1 3 338.452 -0.623 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000573810438 380688522 /nfs/dbraw/zinc/68/85/22/380688522.db2.gz IVCFXLIZQFXPGQ-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC000576325356 380767185 /nfs/dbraw/zinc/76/71/85/380767185.db2.gz JKIZRQANWYUGCH-CQSZACIVSA-N 1 3 328.457 -0.831 20 0 EBADHO COCCN(C)CCCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417098706 380798585 /nfs/dbraw/zinc/79/85/85/380798585.db2.gz ZAXOFDZVSZIHHM-OAHLLOKOSA-N 1 3 327.473 -0.356 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000578005256 380869839 /nfs/dbraw/zinc/86/98/39/380869839.db2.gz XEIIRLSKRIXFJI-GJZGRUSLSA-N 1 3 337.468 -0.826 20 0 EBADHO CCN(CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000417482922 380915886 /nfs/dbraw/zinc/91/58/86/380915886.db2.gz IZNAAKOOFRKULK-ZDUSSCGKSA-N 1 3 325.457 -0.033 20 0 EBADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579497426 380993620 /nfs/dbraw/zinc/99/36/20/380993620.db2.gz DTBZHFSBVKANAG-HZSPNIEDSA-N 1 3 339.440 -0.949 20 0 EBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579497426 380993628 /nfs/dbraw/zinc/99/36/28/380993628.db2.gz DTBZHFSBVKANAG-HZSPNIEDSA-N 1 3 339.440 -0.949 20 0 EBADHO CN(C)CCN(Cc1ccccn1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000581249728 381062814 /nfs/dbraw/zinc/06/28/14/381062814.db2.gz ORCXHLZSGMBHNC-HNNXBMFYSA-N 1 3 333.436 -0.160 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCN1C(=O)CCC1=O ZINC000617504349 381036094 /nfs/dbraw/zinc/03/60/94/381036094.db2.gz QWPOHSUKSDVPCW-ZDUSSCGKSA-N 1 3 326.441 -0.086 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCN1C(=O)CCC1=O ZINC000617504349 381036102 /nfs/dbraw/zinc/03/61/02/381036102.db2.gz QWPOHSUKSDVPCW-ZDUSSCGKSA-N 1 3 326.441 -0.086 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCn1ncn(C)c1=O ZINC000617508244 381039851 /nfs/dbraw/zinc/03/98/51/381039851.db2.gz ZIPUNHPUYRRFTP-ZDUSSCGKSA-N 1 3 326.445 -0.640 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCn1ncn(C)c1=O ZINC000617508244 381039857 /nfs/dbraw/zinc/03/98/57/381039857.db2.gz ZIPUNHPUYRRFTP-ZDUSSCGKSA-N 1 3 326.445 -0.640 20 0 EBADHO C[C@@H]1C[C@H](CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931150 381118798 /nfs/dbraw/zinc/11/87/98/381118798.db2.gz DGTXMRROWYRFIS-ZIAGYGMSSA-N 1 3 336.436 -0.332 20 0 EBADHO CC(C)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000584396663 381125864 /nfs/dbraw/zinc/12/58/64/381125864.db2.gz JVUVVYNYTNERNJ-OAHLLOKOSA-N 1 3 342.484 -0.178 20 0 EBADHO COC[C@]1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCC[NH2+]1 ZINC000418633697 381251850 /nfs/dbraw/zinc/25/18/50/381251850.db2.gz IMZJRTNGBLFWJD-GOEBONIOSA-N 1 3 328.457 -0.099 20 0 EBADHO COC[C@@]1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCC[NH2+]1 ZINC000418640992 381253843 /nfs/dbraw/zinc/25/38/43/381253843.db2.gz RMCWAFQVGCUTAS-HOCLYGCPSA-N 1 3 328.457 -0.099 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418727468 381258207 /nfs/dbraw/zinc/25/82/07/381258207.db2.gz FGEZZWHVFFQCDU-NWDGAFQWSA-N 1 3 347.410 -0.083 20 0 EBADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478912 381328517 /nfs/dbraw/zinc/32/85/17/381328517.db2.gz OQOBALMYQDQQOF-HOCLYGCPSA-N 1 3 343.431 -0.059 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000643478968 381328987 /nfs/dbraw/zinc/32/89/87/381328987.db2.gz WDSHQJSWAZEITM-UKRRQHHQSA-N 1 3 347.419 -0.695 20 0 EBADHO O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000418930879 381345137 /nfs/dbraw/zinc/34/51/37/381345137.db2.gz CNILUUODEXNXKV-HNNXBMFYSA-N 1 3 340.468 -0.137 20 0 EBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(CCN)CCO)([NH+](C)C)C1 ZINC000418913596 381347869 /nfs/dbraw/zinc/34/78/69/381347869.db2.gz GMBXZJOOVIIQTJ-CZUORRHYSA-N 1 3 328.457 -0.607 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418955642 381350490 /nfs/dbraw/zinc/35/04/90/381350490.db2.gz YDNGYBADGAFTRG-GDBMZVCRSA-N 1 3 348.447 -0.191 20 0 EBADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419032782 381358044 /nfs/dbraw/zinc/35/80/44/381358044.db2.gz XFFWBDWBZIMLHE-KGLIPLIRSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419033202 381358173 /nfs/dbraw/zinc/35/81/73/381358173.db2.gz YDXOKIVXZNWOKA-MGPQQGTHSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419033199 381358676 /nfs/dbraw/zinc/35/86/76/381358676.db2.gz YDUPBFFKSNGUMO-MJBXVCDLSA-N 1 3 328.457 -0.751 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419242817 381408041 /nfs/dbraw/zinc/40/80/41/381408041.db2.gz RPHQBUMCTCPTHO-RYUDHWBXSA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419122524 381382925 /nfs/dbraw/zinc/38/29/25/381382925.db2.gz NPRBKXVAFSGKKP-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419171272 381393168 /nfs/dbraw/zinc/39/31/68/381393168.db2.gz OSUKSJPKQAILEL-HNNXBMFYSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419197040 381397016 /nfs/dbraw/zinc/39/70/16/381397016.db2.gz BMJPUQCWDCNZIF-CYBMUJFWSA-N 1 3 336.436 -0.046 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419412648 381429270 /nfs/dbraw/zinc/42/92/70/381429270.db2.gz RCXFQHKYWJNFJX-RBSFLKMASA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419415589 381431701 /nfs/dbraw/zinc/43/17/01/381431701.db2.gz VHKWAWBUAPVFHA-UONOGXRCSA-N 1 3 326.441 -0.589 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419454664 381441651 /nfs/dbraw/zinc/44/16/51/381441651.db2.gz UNCROYSUERGLRG-AWEZNQCLSA-N 1 3 328.457 -0.342 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419700564 381474721 /nfs/dbraw/zinc/47/47/21/381474721.db2.gz XQRSXOVBJDQRPM-AWEZNQCLSA-N 1 3 337.468 -0.859 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419681500 381482983 /nfs/dbraw/zinc/48/29/83/381482983.db2.gz RXDJTFJEKJAHHN-STQMWFEESA-N 1 3 344.456 -0.700 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419681500 381482989 /nfs/dbraw/zinc/48/29/89/381482989.db2.gz RXDJTFJEKJAHHN-STQMWFEESA-N 1 3 344.456 -0.700 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000419866435 381513460 /nfs/dbraw/zinc/51/34/60/381513460.db2.gz GQQALDMHDDAXCI-GOSISDBHSA-N 1 3 348.447 -0.583 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000419889839 381516644 /nfs/dbraw/zinc/51/66/44/381516644.db2.gz SFZOXNGRGQGIDY-CABCVRRESA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000419889840 381517095 /nfs/dbraw/zinc/51/70/95/381517095.db2.gz SFZOXNGRGQGIDY-GJZGRUSLSA-N 1 3 339.484 -0.756 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419891823 381518880 /nfs/dbraw/zinc/51/88/80/381518880.db2.gz NQWDXKQBDOEMML-ZIAGYGMSSA-N 1 3 328.457 -0.473 20 0 EBADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000419896273 381519794 /nfs/dbraw/zinc/51/97/94/381519794.db2.gz UJZUUEGOXHNDHU-UHFFFAOYSA-N 1 3 335.408 -0.536 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837673 381502480 /nfs/dbraw/zinc/50/24/80/381502480.db2.gz DEBUCHCBNBLSPV-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420204849 381569136 /nfs/dbraw/zinc/56/91/36/381569136.db2.gz DCSIJMDOWWXFGV-HUUCEWRRSA-N 1 3 338.452 -0.432 20 0 EBADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420210333 381571927 /nfs/dbraw/zinc/57/19/27/381571927.db2.gz WEMWADHGDUTKQO-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CC[C@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000351488962 381628738 /nfs/dbraw/zinc/62/87/38/381628738.db2.gz GUADYWAIKLPTFR-XQQFMLRXSA-N 1 3 346.435 -0.507 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000331943832 381733642 /nfs/dbraw/zinc/73/36/42/381733642.db2.gz IQJVENJYPPLPSM-ZIAGYGMSSA-N 1 3 340.468 -0.201 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643509548 381928048 /nfs/dbraw/zinc/92/80/48/381928048.db2.gz PHBVVUOGUIZANL-LSDHHAIUSA-N 1 3 339.484 -0.851 20 0 EBADHO C[C@@H](C[NH+](C)C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000353323796 382138888 /nfs/dbraw/zinc/13/88/88/382138888.db2.gz DSQFKEQAHHCUEL-HNNXBMFYSA-N 1 3 329.489 -0.374 20 0 EBADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@H](C)C1 ZINC000360273648 285365108 /nfs/dbraw/zinc/36/51/08/285365108.db2.gz TZWMCCARYGOMER-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@H](C)C1 ZINC000360273648 285365110 /nfs/dbraw/zinc/36/51/10/285365110.db2.gz TZWMCCARYGOMER-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]2CC[NH2+]C2)cn1 ZINC000261885905 154203440 /nfs/dbraw/zinc/20/34/40/154203440.db2.gz SKCDOBGEMRJETN-ZDUSSCGKSA-N 1 3 336.440 -0.111 20 0 EBADHO CN(C)C[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000265134513 154308613 /nfs/dbraw/zinc/30/86/13/154308613.db2.gz JVERVNIKJTWMFC-ZDUSSCGKSA-N 1 3 348.451 -0.293 20 0 EBADHO CN(C)C[C@@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000265134513 154308616 /nfs/dbraw/zinc/30/86/16/154308616.db2.gz JVERVNIKJTWMFC-ZDUSSCGKSA-N 1 3 348.451 -0.293 20 0 EBADHO COC[C@](C)(CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265664505 154325155 /nfs/dbraw/zinc/32/51/55/154325155.db2.gz FOMFBCOIIASFIM-HKIRWOGLSA-N 1 3 340.468 -0.141 20 0 EBADHO COC[C@](C)(CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265664505 154325157 /nfs/dbraw/zinc/32/51/57/154325157.db2.gz FOMFBCOIIASFIM-HKIRWOGLSA-N 1 3 340.468 -0.141 20 0 EBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000343143131 156104120 /nfs/dbraw/zinc/10/41/20/156104120.db2.gz OJTHFXMOMSAWNA-GJZGRUSLSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000343270422 156117077 /nfs/dbraw/zinc/11/70/77/156117077.db2.gz OEZWPHKSPPZLQH-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCN1CCN(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000346124807 156387150 /nfs/dbraw/zinc/38/71/50/156387150.db2.gz DSNCCIKKEXAXFL-OAHLLOKOSA-N 1 3 339.484 -0.850 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000357585459 157158726 /nfs/dbraw/zinc/15/87/26/157158726.db2.gz XTQVKAKGOYNUHB-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000357585459 157158731 /nfs/dbraw/zinc/15/87/31/157158731.db2.gz XTQVKAKGOYNUHB-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc21 ZINC000357901486 157185509 /nfs/dbraw/zinc/18/55/09/157185509.db2.gz DHRDBOFUBKRFLR-NWDGAFQWSA-N 1 3 334.376 -0.183 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000357933990 157189958 /nfs/dbraw/zinc/18/99/58/157189958.db2.gz RYAUEBIQENTNTM-CABCVRRESA-N 1 3 334.420 -0.683 20 0 EBADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000358506863 157250973 /nfs/dbraw/zinc/25/09/73/157250973.db2.gz UKOVNBOXDRMEJQ-UONOGXRCSA-N 1 3 325.457 -0.116 20 0 EBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000360278750 157371765 /nfs/dbraw/zinc/37/17/65/157371765.db2.gz LIWWMWNNAZTTQG-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410502934 419034409 /nfs/dbraw/zinc/03/44/09/419034409.db2.gz KUJQCNAKHMUBDR-KRWDZBQOSA-N 1 3 340.468 -0.423 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410502934 419034411 /nfs/dbraw/zinc/03/44/11/419034411.db2.gz KUJQCNAKHMUBDR-KRWDZBQOSA-N 1 3 340.468 -0.423 20 0 EBADHO CN(CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000427095054 419041972 /nfs/dbraw/zinc/04/19/72/419041972.db2.gz XAWJBWZUSZPPAH-UHFFFAOYSA-N 1 3 348.451 0.299 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653115121 418988843 /nfs/dbraw/zinc/98/88/43/418988843.db2.gz DBCPOEJSDKNBEX-UONOGXRCSA-N 1 3 327.473 -0.676 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653116866 418990198 /nfs/dbraw/zinc/99/01/98/418990198.db2.gz XCSBBFCKIQWLQD-AWEZNQCLSA-N 1 3 327.473 -0.722 20 0 EBADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000650895874 419083877 /nfs/dbraw/zinc/08/38/77/419083877.db2.gz ISVHKMWHDARKJW-OAHLLOKOSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000650895874 419083880 /nfs/dbraw/zinc/08/38/80/419083880.db2.gz ISVHKMWHDARKJW-OAHLLOKOSA-N 1 3 337.468 -0.114 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650895588 419084753 /nfs/dbraw/zinc/08/47/53/419084753.db2.gz APRITTOBMKYCDJ-CQSZACIVSA-N 1 3 341.456 -0.878 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000647597091 419121982 /nfs/dbraw/zinc/12/19/82/419121982.db2.gz LLJCRJXPBSXSDP-ZNMIVQPWSA-N 1 3 339.484 -0.533 20 0 EBADHO CCO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C[NH3+] ZINC000653247360 419051098 /nfs/dbraw/zinc/05/10/98/419051098.db2.gz YJULXDPRXHIHNQ-BFHYXJOUSA-N 1 3 326.441 -0.781 20 0 EBADHO CN(C[C@H](O)C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569756 419169476 /nfs/dbraw/zinc/16/94/76/419169476.db2.gz UNWUUZPFORBIBD-DOTOQJQBSA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@H+](C[C@H](O)CN[C@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569756 419169479 /nfs/dbraw/zinc/16/94/79/419169479.db2.gz UNWUUZPFORBIBD-DOTOQJQBSA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@@H+](C[C@H](O)CN[C@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569756 419169482 /nfs/dbraw/zinc/16/94/82/419169482.db2.gz UNWUUZPFORBIBD-DOTOQJQBSA-N 1 3 326.485 -0.562 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651221778 419181447 /nfs/dbraw/zinc/18/14/47/419181447.db2.gz BLNBSXIMOAIMFN-ZIAGYGMSSA-N 1 3 346.497 -0.447 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651221778 419181451 /nfs/dbraw/zinc/18/14/51/419181451.db2.gz BLNBSXIMOAIMFN-ZIAGYGMSSA-N 1 3 346.497 -0.447 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000338746006 419254797 /nfs/dbraw/zinc/25/47/97/419254797.db2.gz PQDBJRDBQVBIDA-QGZVFWFLSA-N 1 3 349.483 -0.138 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000338746006 419254799 /nfs/dbraw/zinc/25/47/99/419254799.db2.gz PQDBJRDBQVBIDA-QGZVFWFLSA-N 1 3 349.483 -0.138 20 0 EBADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)CCN1CC[NH2+]CC1 ZINC000647835208 419308987 /nfs/dbraw/zinc/30/89/87/419308987.db2.gz RIKCMMQGSJVQQY-UHFFFAOYSA-N 1 3 333.436 -0.049 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C[C@H]1C[NH3+] ZINC000652731765 419333996 /nfs/dbraw/zinc/33/39/96/419333996.db2.gz UFMNVJZNZRBJFU-RBSFLKMASA-N 1 3 340.468 -0.250 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@H]1C[NH3+] ZINC000652733172 419341417 /nfs/dbraw/zinc/34/14/17/419341417.db2.gz AOETZUQAFOKPTB-HZSPNIEDSA-N 1 3 326.441 -0.639 20 0 EBADHO CN1CCN(CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000532792789 419629319 /nfs/dbraw/zinc/62/93/19/419629319.db2.gz IFEZPYYVKUFHGV-MRXNPFEDSA-N 1 3 329.489 -0.374 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659681107 419693827 /nfs/dbraw/zinc/69/38/27/419693827.db2.gz WJVOJTWMTOWBOQ-UHFFFAOYSA-N 1 3 326.441 -0.399 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659717439 419786148 /nfs/dbraw/zinc/78/61/48/419786148.db2.gz HVZIXRDUFOZQHG-ZIAGYGMSSA-N 1 3 326.441 -0.545 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659711779 419772512 /nfs/dbraw/zinc/77/25/12/419772512.db2.gz DLFDEDYCDRDEGB-CQSZACIVSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420049001 419834374 /nfs/dbraw/zinc/83/43/74/419834374.db2.gz XXLKQDYTWWKVGG-STQMWFEESA-N 1 3 344.456 -0.748 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721822 419793359 /nfs/dbraw/zinc/79/33/59/419793359.db2.gz ISWCSILGHPCXKK-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721822 419793364 /nfs/dbraw/zinc/79/33/64/419793364.db2.gz ISWCSILGHPCXKK-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423125866 419921095 /nfs/dbraw/zinc/92/10/95/419921095.db2.gz IFWVNCVMGKDBHF-HNNXBMFYSA-N 1 3 342.484 -0.001 20 0 EBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423216624 419925078 /nfs/dbraw/zinc/92/50/78/419925078.db2.gz RZBRQJFFQDGPTO-KKUMJFAQSA-N 1 3 340.468 -0.249 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423212464 419926614 /nfs/dbraw/zinc/92/66/14/419926614.db2.gz LYXPVTTXXBWKLE-OAHLLOKOSA-N 1 3 337.468 -0.953 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423261973 419927164 /nfs/dbraw/zinc/92/71/64/419927164.db2.gz LFUUYSWJXIURST-AWEZNQCLSA-N 1 3 328.457 -0.390 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000167405538 420527769 /nfs/dbraw/zinc/52/77/69/420527769.db2.gz ZGYMCFVWWBDACN-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(O)(C[NH3+])CC2)C1 ZINC000517238899 420698610 /nfs/dbraw/zinc/69/86/10/420698610.db2.gz JAPMCJWFWBAPQF-OAHLLOKOSA-N 1 3 342.484 -0.755 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CN(C)NC3=O)CC2)CC1 ZINC000654982720 420847157 /nfs/dbraw/zinc/84/71/57/420847157.db2.gz BFEQAZMWANIPRG-HNNXBMFYSA-N 1 3 337.468 -0.356 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656019788 420866828 /nfs/dbraw/zinc/86/68/28/420866828.db2.gz JLUBASBMYYBIEY-CABCVRRESA-N 1 3 337.468 -0.859 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658102239 420950794 /nfs/dbraw/zinc/95/07/94/420950794.db2.gz DTZMGYCOFBWBQA-OAHLLOKOSA-N 1 3 339.484 -0.755 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658102239 420950797 /nfs/dbraw/zinc/95/07/97/420950797.db2.gz DTZMGYCOFBWBQA-OAHLLOKOSA-N 1 3 339.484 -0.755 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000658779805 420977181 /nfs/dbraw/zinc/97/71/81/420977181.db2.gz SCPXYQXGUBNAGJ-ZDUSSCGKSA-N 1 3 336.440 -0.016 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000659318766 420996852 /nfs/dbraw/zinc/99/68/52/420996852.db2.gz YAUZRHOPTXKHOB-CQSZACIVSA-N 1 3 328.457 -0.424 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000659738458 421025041 /nfs/dbraw/zinc/02/50/41/421025041.db2.gz DVHPSNWDQBAUFS-MGPQQGTHSA-N 1 3 326.441 -0.591 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659741206 421025817 /nfs/dbraw/zinc/02/58/17/421025817.db2.gz HXHSFZHUHPOFRN-CSLYMUCUSA-N 1 3 349.479 -0.907 20 0 EBADHO CN(C(=O)CN1CCNCC1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900735 421106401 /nfs/dbraw/zinc/10/64/01/421106401.db2.gz PJVZZEVKRIBWLC-HNNXBMFYSA-N 1 3 337.468 -0.955 20 0 EBADHO CC(C)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N1CCN(C)CC1 ZINC000663560940 421133492 /nfs/dbraw/zinc/13/34/92/421133492.db2.gz OFOGRRGPLYCYGJ-JYJNAYRXSA-N 1 3 341.500 -0.425 20 0 EBADHO COCCN(C)CCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663937564 421143828 /nfs/dbraw/zinc/14/38/28/421143828.db2.gz KGXJXWRMSYDKQE-OAHLLOKOSA-N 1 3 328.457 -0.195 20 0 EBADHO COCCN(C)CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663937564 421143831 /nfs/dbraw/zinc/14/38/31/421143831.db2.gz KGXJXWRMSYDKQE-OAHLLOKOSA-N 1 3 328.457 -0.195 20 0 EBADHO C[C@H](CN1CCN(C)CC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664026602 421146950 /nfs/dbraw/zinc/14/69/50/421146950.db2.gz WWBRJOCATOLPSH-MRXNPFEDSA-N 1 3 342.532 -0.195 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000665188011 421176968 /nfs/dbraw/zinc/17/69/68/421176968.db2.gz URVHNHSOAJQVHZ-STQMWFEESA-N 1 3 341.456 -0.295 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000665188011 421176971 /nfs/dbraw/zinc/17/69/71/421176971.db2.gz URVHNHSOAJQVHZ-STQMWFEESA-N 1 3 341.456 -0.295 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000378214209 421191532 /nfs/dbraw/zinc/19/15/32/421191532.db2.gz BUYVNVAEVUTLQL-AWEZNQCLSA-N 1 3 348.451 0.080 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)n1 ZINC000378214209 421191535 /nfs/dbraw/zinc/19/15/35/421191535.db2.gz BUYVNVAEVUTLQL-AWEZNQCLSA-N 1 3 348.451 0.080 20 0 EBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026303 264845604 /nfs/dbraw/zinc/84/56/04/264845604.db2.gz NJDUEPZBPICSSW-GJZGRUSLSA-N 1 3 339.484 -0.756 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420023263 264914763 /nfs/dbraw/zinc/91/47/63/264914763.db2.gz XMDZTAACBCKJEK-ZDUSSCGKSA-N 1 3 349.435 -0.162 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423266053 264992738 /nfs/dbraw/zinc/99/27/38/264992738.db2.gz RRCDHVORSFFFEE-UONOGXRCSA-N 1 3 326.441 -0.909 20 0 EBADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423418499 265003370 /nfs/dbraw/zinc/00/33/70/265003370.db2.gz UQVGPMPXQUGBNC-AWEZNQCLSA-N 1 3 328.457 -0.247 20 0 EBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000423665320 265030113 /nfs/dbraw/zinc/03/01/13/265030113.db2.gz HEYXSGOHTULZCS-RBSFLKMASA-N 1 3 340.468 -0.106 20 0 EBADHO CN(CCCNC(=O)CN1CCC2(CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000431032321 265158243 /nfs/dbraw/zinc/15/82/43/265158243.db2.gz JDCWLEAMRIJUTR-UHFFFAOYSA-N 1 3 346.497 -0.540 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)CCCO1 ZINC000433459343 265189194 /nfs/dbraw/zinc/18/91/94/265189194.db2.gz XNMKPZOUVGXZAT-GDBMZVCRSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)CCCO1 ZINC000433459343 265189198 /nfs/dbraw/zinc/18/91/98/265189198.db2.gz XNMKPZOUVGXZAT-GDBMZVCRSA-N 1 3 328.457 -0.147 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC(C)(C)C1 ZINC000520989905 265652133 /nfs/dbraw/zinc/65/21/33/265652133.db2.gz AAHDDMSIVOMOLE-UHFFFAOYSA-N 1 3 328.457 -0.424 20 0 EBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000333712888 288321486 /nfs/dbraw/zinc/32/14/86/288321486.db2.gz SOWJXNTWFRBOFS-ILXRZTDVSA-N 1 3 337.468 -0.068 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[NH2+]C1CC1 ZINC000669443996 545875905 /nfs/dbraw/zinc/87/59/05/545875905.db2.gz BRFNIAOVWHFAOP-CQSZACIVSA-N 1 3 325.457 -0.020 20 0 EBADHO C[C@H](NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000672009162 546077722 /nfs/dbraw/zinc/07/77/22/546077722.db2.gz YXZIRVYJBDXDBP-DZGCQCFKSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@H](NC(=O)C(=O)NCCOCCN(C)C)C1CC[NH+](C)CC1 ZINC000672011678 546077770 /nfs/dbraw/zinc/07/77/70/546077770.db2.gz VESZNWRJUPWMET-ZDUSSCGKSA-N 1 3 328.457 -0.473 20 0 EBADHO C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)C1CC[NH+](C)CC1 ZINC000672011677 546077825 /nfs/dbraw/zinc/07/78/25/546077825.db2.gz VESZNWRJUPWMET-CYBMUJFWSA-N 1 3 328.457 -0.473 20 0 EBADHO COC1CCN(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000674325516 546159974 /nfs/dbraw/zinc/15/99/74/546159974.db2.gz UYSBPHCPLYDNNZ-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675816444 546189651 /nfs/dbraw/zinc/18/96/51/546189651.db2.gz CLLLBSFYMCNCSG-CABCVRRESA-N 1 3 332.514 -0.117 20 0 EBADHO CC[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675816444 546189653 /nfs/dbraw/zinc/18/96/53/546189653.db2.gz CLLLBSFYMCNCSG-CABCVRRESA-N 1 3 332.514 -0.117 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000682006390 546320023 /nfs/dbraw/zinc/32/00/23/546320023.db2.gz IWZGEDKTPWIBLI-UHFFFAOYSA-N 1 3 326.485 -0.071 20 0 EBADHO C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)S(N)(=O)=O ZINC000665764220 582554036 /nfs/dbraw/zinc/55/40/36/582554036.db2.gz YHPKSYLQRIMCPA-NWDGAFQWSA-N 1 3 337.490 -0.765 20 0 EBADHO C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)S(N)(=O)=O ZINC000665764220 582554038 /nfs/dbraw/zinc/55/40/38/582554038.db2.gz YHPKSYLQRIMCPA-NWDGAFQWSA-N 1 3 337.490 -0.765 20 0 EBADHO CN(C)C[C@](C)(O)CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768149 582587348 /nfs/dbraw/zinc/58/73/48/582587348.db2.gz HVEINMQWLAZGQB-UKRRQHHQSA-N 1 3 328.457 -0.243 20 0 EBADHO CN(C)C[C@](C)(O)CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768141 582587368 /nfs/dbraw/zinc/58/73/68/582587368.db2.gz HVEINMQWLAZGQB-DZGCQCFKSA-N 1 3 328.457 -0.243 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898088821 582719709 /nfs/dbraw/zinc/71/97/09/582719709.db2.gz UCVYUQKMOQCKSZ-ZDUSSCGKSA-N 1 3 338.452 -0.324 20 0 EBADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NC(=O)NC1CC1 ZINC000903511447 582809734 /nfs/dbraw/zinc/80/97/34/582809734.db2.gz UBHDAEOUPLPDSA-GASCZTMLSA-N 1 3 335.452 -0.125 20 0 EBADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NC(=O)NC1CC1 ZINC000903511447 582809737 /nfs/dbraw/zinc/80/97/37/582809737.db2.gz UBHDAEOUPLPDSA-GASCZTMLSA-N 1 3 335.452 -0.125 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903741554 582816748 /nfs/dbraw/zinc/81/67/48/582816748.db2.gz GOPTWKFFWUVZDZ-CQSZACIVSA-N 1 3 339.484 -0.722 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903758052 582819686 /nfs/dbraw/zinc/81/96/86/582819686.db2.gz FPAXYQVMLOOJSZ-GHMZBOCLSA-N 1 3 336.358 -0.113 20 0 EBADHO O=S1(=O)CCCN1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903785071 582820589 /nfs/dbraw/zinc/82/05/89/582820589.db2.gz VTSAPDAMOCVBQT-IYBDPMFKSA-N 1 3 342.509 -0.078 20 0 EBADHO O=S1(=O)CCCN1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903785071 582820592 /nfs/dbraw/zinc/82/05/92/582820592.db2.gz VTSAPDAMOCVBQT-IYBDPMFKSA-N 1 3 342.509 -0.078 20 0 EBADHO O=S1(=O)CCCN1CCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903785071 582820594 /nfs/dbraw/zinc/82/05/94/582820594.db2.gz VTSAPDAMOCVBQT-IYBDPMFKSA-N 1 3 342.509 -0.078 20 0 EBADHO O=C(CN1CCOCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878988 582822910 /nfs/dbraw/zinc/82/29/10/582822910.db2.gz OYHGPWYXOYYPET-ALOPSCKCSA-N 1 3 336.480 -0.007 20 0 EBADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@H](N3CC=CC3)C1)C2=O ZINC000742163649 583076488 /nfs/dbraw/zinc/07/64/88/583076488.db2.gz UUQDSGAEZZZLIE-AWEZNQCLSA-N 1 3 333.436 -0.094 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000817813532 583729829 /nfs/dbraw/zinc/72/98/29/583729829.db2.gz HYYXFBVJDPYKCP-KKUMJFAQSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000817813532 583729831 /nfs/dbraw/zinc/72/98/31/583729831.db2.gz HYYXFBVJDPYKCP-KKUMJFAQSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000843260834 584074525 /nfs/dbraw/zinc/07/45/25/584074525.db2.gz GRAJUMZMOCHUIU-KCQAQPDRSA-N 1 3 340.468 -0.012 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000843260832 584074527 /nfs/dbraw/zinc/07/45/27/584074527.db2.gz GRAJUMZMOCHUIU-GUTXKFCHSA-N 1 3 340.468 -0.012 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000851692187 584200414 /nfs/dbraw/zinc/20/04/14/584200414.db2.gz SHTNJHZUYBKSKP-UHFFFAOYSA-N 1 3 338.412 -0.896 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000851692187 584200418 /nfs/dbraw/zinc/20/04/18/584200418.db2.gz SHTNJHZUYBKSKP-UHFFFAOYSA-N 1 3 338.412 -0.896 20 0 EBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000861736739 584336069 /nfs/dbraw/zinc/33/60/69/584336069.db2.gz IZYZAEKSYHODCJ-LBPRGKRZSA-N 1 3 337.424 -0.556 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861741651 584336510 /nfs/dbraw/zinc/33/65/10/584336510.db2.gz UNLPKEUKNXTXNN-CYBMUJFWSA-N 1 3 328.457 -0.202 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861772585 584338436 /nfs/dbraw/zinc/33/84/36/584338436.db2.gz WEVBYAQWVCJPDX-GFCCVEGCSA-N 1 3 328.457 -0.202 20 0 EBADHO C[C@@H]1CN(CCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863548159 584372835 /nfs/dbraw/zinc/37/28/35/584372835.db2.gz OLRQSFDFCZBPTB-BMFZPTHFSA-N 1 3 338.452 -0.036 20 0 EBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000863757019 584376938 /nfs/dbraw/zinc/37/69/38/584376938.db2.gz RHJMMHANDMVPAE-ZIAGYGMSSA-N 1 3 325.457 -0.970 20 0 EBADHO Cn1nnnc1CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000866669263 584403227 /nfs/dbraw/zinc/40/32/27/584403227.db2.gz VZGIZEPRCVJANX-CYBMUJFWSA-N 1 3 345.455 -0.235 20 0 EBADHO CC(=O)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000872855304 584468252 /nfs/dbraw/zinc/46/82/52/584468252.db2.gz KJXGSQCNEHZVIO-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876748566 584522039 /nfs/dbraw/zinc/52/20/39/584522039.db2.gz GJQQUBKWKFRFCL-SRVKXCTJSA-N 1 3 332.395 -0.115 20 0 EBADHO COCCN(Cc1cc(=O)n(C)c(=O)n1C)CC1CC[NH+](C)CC1 ZINC000879123714 584548444 /nfs/dbraw/zinc/54/84/44/584548444.db2.gz KXYWBAWPZRQTMF-UHFFFAOYSA-N 1 3 338.452 -0.126 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccncc1 ZINC000883639514 584603966 /nfs/dbraw/zinc/60/39/66/584603966.db2.gz RDCHBHSLGSRFFU-SOUVJXGZSA-N 1 3 343.431 -0.204 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1N=NC(=O)N1C ZINC000889332469 584608393 /nfs/dbraw/zinc/60/83/93/584608393.db2.gz BCVLMOCSYJPMMR-NSHDSACASA-N 1 3 327.433 -0.408 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1N=NC(=O)N1C ZINC000889332469 584608395 /nfs/dbraw/zinc/60/83/95/584608395.db2.gz BCVLMOCSYJPMMR-NSHDSACASA-N 1 3 327.433 -0.408 20 0 EBADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884290057 584620953 /nfs/dbraw/zinc/62/09/53/584620953.db2.gz QNSWAPSPHRDIOH-INIZCTEOSA-N 1 3 344.463 -0.389 20 0 EBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884485503 584624666 /nfs/dbraw/zinc/62/46/66/584624666.db2.gz AILVMYRIMWITEC-GJZGRUSLSA-N 1 3 346.431 -0.184 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884597666 584629102 /nfs/dbraw/zinc/62/91/02/584629102.db2.gz GMEADNSERUFUSY-HUUCEWRRSA-N 1 3 339.484 -0.532 20 0 EBADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884632278 584630585 /nfs/dbraw/zinc/63/05/85/584630585.db2.gz CLLHFWSNZRCMBU-HOCLYGCPSA-N 1 3 343.431 -0.013 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884669829 584632627 /nfs/dbraw/zinc/63/26/27/584632627.db2.gz HZKITZVNULXTBD-AWEZNQCLSA-N 1 3 341.500 -0.380 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678537 584633732 /nfs/dbraw/zinc/63/37/32/584633732.db2.gz FFXZAGNSBMDPAM-DOMZBBRYSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688221 584634460 /nfs/dbraw/zinc/63/44/60/584634460.db2.gz WDZOYWKGIUGGMI-ZIAGYGMSSA-N 1 3 331.420 -0.013 20 0 EBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884787571 584637721 /nfs/dbraw/zinc/63/77/21/584637721.db2.gz VXJZGQHVEUFFKR-ZNMIVQPWSA-N 1 3 336.436 -0.681 20 0 EBADHO CCN(CC)CC(=O)N[C@H]1COC[C@H]1NC(=O)C[NH+](CC)CC ZINC000888042725 584684764 /nfs/dbraw/zinc/68/47/64/584684764.db2.gz XOFZESOGBOBZML-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[NH+](CC)CC ZINC000888042725 584684766 /nfs/dbraw/zinc/68/47/66/584684766.db2.gz XOFZESOGBOBZML-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1=O ZINC000908235262 650099335 /nfs/dbraw/zinc/09/93/35/650099335.db2.gz ALODSWAGJJGWJF-CQSZACIVSA-N 1 3 338.452 -0.623 20 0 EBADHO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCNCCNCC1 ZINC000911022961 650146177 /nfs/dbraw/zinc/14/61/77/650146177.db2.gz QINIVLBBUPFHLU-UHFFFAOYSA-N 1 3 325.457 -1.000 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)N1CCC(C)CC1 ZINC000911091774 650150618 /nfs/dbraw/zinc/15/06/18/650150618.db2.gz PUGPZCQCFACYHW-RHSMWYFYSA-N 1 3 340.468 -0.465 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911187920 650157593 /nfs/dbraw/zinc/15/75/93/650157593.db2.gz VPIUHKUZTOHCNO-CQSZACIVSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000911197807 650159003 /nfs/dbraw/zinc/15/90/03/650159003.db2.gz CJRHRSVHZQEWEQ-IOASZLSFSA-N 1 3 342.509 -0.098 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCSC1 ZINC000911201605 650159131 /nfs/dbraw/zinc/15/91/31/650159131.db2.gz XEICPFJMRWZXKK-IUODEOHRSA-N 1 3 328.482 -0.263 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911206485 650159507 /nfs/dbraw/zinc/15/95/07/650159507.db2.gz GTLMVDPBGLDCAF-CJNGLKHVSA-N 1 3 326.441 -0.711 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911259285 650163976 /nfs/dbraw/zinc/16/39/76/650163976.db2.gz XHILLKBBKKBVHA-GUYCJALGSA-N 1 3 340.468 -0.465 20 0 EBADHO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324958 650171284 /nfs/dbraw/zinc/17/12/84/650171284.db2.gz NPXWYONDPXZWTG-JKIFEVAISA-N 1 3 338.452 -0.568 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549308 650192461 /nfs/dbraw/zinc/19/24/61/650192461.db2.gz DGGGULZXJKHJDG-CBBWQLFWSA-N 1 3 338.452 -0.435 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549307 650192735 /nfs/dbraw/zinc/19/27/35/650192735.db2.gz DGGGULZXJKHJDG-APIJFGDWSA-N 1 3 338.452 -0.435 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](O)COC1CCOCC1 ZINC000923343048 650338212 /nfs/dbraw/zinc/33/82/12/650338212.db2.gz BFYDSCFXGQJOIQ-GJZGRUSLSA-N 1 3 343.468 -0.138 20 0 EBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)C1 ZINC000923422978 650339503 /nfs/dbraw/zinc/33/95/03/650339503.db2.gz YIORNOVLIRSJER-IAODNVIUSA-N 1 3 325.453 -0.031 20 0 EBADHO C[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1C[NH3+] ZINC000923499246 650342359 /nfs/dbraw/zinc/34/23/59/650342359.db2.gz RRTFRUQSPFAEFT-GJZGRUSLSA-N 1 3 339.484 -0.865 20 0 EBADHO CCN1CCN(C[C@@H](C)CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923618622 650348178 /nfs/dbraw/zinc/34/81/78/650348178.db2.gz ATVZYLPQWQRVCQ-GJZGRUSLSA-N 1 3 332.514 -0.069 20 0 EBADHO CN(C)CCCS(=O)(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000923683571 650352743 /nfs/dbraw/zinc/35/27/43/650352743.db2.gz JTLDJAYJBGTIPW-GFCCVEGCSA-N 1 3 333.454 -0.457 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332500 650386572 /nfs/dbraw/zinc/38/65/72/650386572.db2.gz GEDVKTYNRPIIEL-RHSMWYFYSA-N 1 3 338.452 -0.480 20 0 EBADHO CCC(C)(C)N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926387771 650390794 /nfs/dbraw/zinc/39/07/94/650390794.db2.gz UJKKFVNIRKRBAO-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCN1CC)C[NH+](C)C ZINC000932467518 651682050 /nfs/dbraw/zinc/68/20/50/651682050.db2.gz JNUCZEWOTBXYDV-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601303 652902162 /nfs/dbraw/zinc/90/21/62/652902162.db2.gz OZXDUJXHGGWHHH-JSGCOSHPSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601303 652902165 /nfs/dbraw/zinc/90/21/65/652902165.db2.gz OZXDUJXHGGWHHH-JSGCOSHPSA-N 1 3 335.408 -0.753 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000946918432 653263389 /nfs/dbraw/zinc/26/33/89/653263389.db2.gz JYEZKFQZWUMRRZ-UONOGXRCSA-N 1 3 338.452 -0.698 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC000946924908 653270557 /nfs/dbraw/zinc/27/05/57/653270557.db2.gz LGTZWTJPXNDLMZ-ZIAGYGMSSA-N 1 3 338.452 -0.842 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1 ZINC000946927388 653274167 /nfs/dbraw/zinc/27/41/67/653274167.db2.gz HSDVGPXRPGLSDQ-UONOGXRCSA-N 1 3 338.452 -0.840 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1 ZINC000946927388 653274171 /nfs/dbraw/zinc/27/41/71/653274171.db2.gz HSDVGPXRPGLSDQ-UONOGXRCSA-N 1 3 338.452 -0.840 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000946927999 653274660 /nfs/dbraw/zinc/27/46/60/653274660.db2.gz PJIOMEQWUMINAM-UONOGXRCSA-N 1 3 340.468 -0.596 20 0 EBADHO O=C(NC[C@H]1CN(CCn2cncn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214907 722328712 /nfs/dbraw/zinc/32/87/12/722328712.db2.gz OJMKLAMVNZHZIZ-GJZGRUSLSA-N 1 3 348.451 -0.685 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958282821 722336964 /nfs/dbraw/zinc/33/69/64/722336964.db2.gz AJTSHCPYFCEKMN-NVXWUHKLSA-N 1 3 335.448 -0.195 20 0 EBADHO Cn1nccc1CCN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592198 722397452 /nfs/dbraw/zinc/39/74/52/722397452.db2.gz MSPSYSBAUNLGIG-GDBMZVCRSA-N 1 3 347.463 -0.533 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC001018967646 728758313 /nfs/dbraw/zinc/75/83/13/728758313.db2.gz HNJAPDDPWZXOEN-XJKSGUPXSA-N 1 3 336.436 -0.334 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC000960520493 722836109 /nfs/dbraw/zinc/83/61/09/722836109.db2.gz BFGVXTHDLJKNNQ-BARDWOONSA-N 1 3 332.448 -0.203 20 0 EBADHO C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC1 ZINC000961958801 723131336 /nfs/dbraw/zinc/13/13/36/723131336.db2.gz QMAFPRUEQNQUCS-QLPKVWCKSA-N 1 3 349.479 -0.210 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962293593 723219002 /nfs/dbraw/zinc/21/90/02/723219002.db2.gz PHHLKSUMNGBFMK-TTZDDIAXSA-N 1 3 335.452 -0.600 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962293593 723219003 /nfs/dbraw/zinc/21/90/03/723219003.db2.gz PHHLKSUMNGBFMK-TTZDDIAXSA-N 1 3 335.452 -0.600 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962297473 723220298 /nfs/dbraw/zinc/22/02/98/723220298.db2.gz LKKQGQROCBKFOB-FOLVSLTJSA-N 1 3 332.448 -0.249 20 0 EBADHO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001019168753 728814112 /nfs/dbraw/zinc/81/41/12/728814112.db2.gz UIUQFXWFABDCMH-DIODGJHASA-N 1 3 348.447 -0.728 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019384249 728876190 /nfs/dbraw/zinc/87/61/90/728876190.db2.gz XWCKUTGQFIEEBK-OLZOCXBDSA-N 1 3 337.424 -0.930 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001019397176 728878467 /nfs/dbraw/zinc/87/84/67/728878467.db2.gz MVXRIIXNGMDCML-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970178672 725259188 /nfs/dbraw/zinc/25/91/88/725259188.db2.gz XHXOWFBVEYRECJ-KGLIPLIRSA-N 1 3 336.436 -0.286 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000970478571 725295186 /nfs/dbraw/zinc/29/51/86/725295186.db2.gz MGAGOTHOJYKVNV-HUUCEWRRSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000970478571 725295188 /nfs/dbraw/zinc/29/51/88/725295188.db2.gz MGAGOTHOJYKVNV-HUUCEWRRSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000970478579 725295246 /nfs/dbraw/zinc/29/52/46/725295246.db2.gz MGAGOTHOJYKVNV-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000970478579 725295248 /nfs/dbraw/zinc/29/52/48/725295248.db2.gz MGAGOTHOJYKVNV-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544887 725419807 /nfs/dbraw/zinc/41/98/07/725419807.db2.gz FQDHHDQOXILGSO-JKSUJKDBSA-N 1 3 349.479 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544874 725420027 /nfs/dbraw/zinc/42/00/27/725420027.db2.gz FQDHHDQOXILGSO-CVEARBPZSA-N 1 3 349.479 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733046 725588510 /nfs/dbraw/zinc/58/85/10/725588510.db2.gz OKOABTIPOQJAQI-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733046 725588512 /nfs/dbraw/zinc/58/85/12/725588512.db2.gz OKOABTIPOQJAQI-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895801 725670291 /nfs/dbraw/zinc/67/02/91/725670291.db2.gz UACOIVUHFMYILI-BBRMVZONSA-N 1 3 334.464 -0.003 20 0 EBADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000976541533 726340744 /nfs/dbraw/zinc/34/07/44/726340744.db2.gz RFFMAYJLWKGXFJ-BYNSBNAKSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000976541533 726340745 /nfs/dbraw/zinc/34/07/45/726340745.db2.gz RFFMAYJLWKGXFJ-BYNSBNAKSA-N 1 3 334.464 -0.005 20 0 EBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000996355491 726372392 /nfs/dbraw/zinc/37/23/92/726372392.db2.gz MMTXBRVNLBFIFR-GFCCVEGCSA-N 1 3 348.407 -0.669 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC1 ZINC000976761244 726409165 /nfs/dbraw/zinc/40/91/65/726409165.db2.gz NCQVVLCCCUTNHD-FOLVSLTJSA-N 1 3 331.420 -0.133 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)C1 ZINC000996801126 726427857 /nfs/dbraw/zinc/42/78/57/726427857.db2.gz DBBQDACGQBVWGZ-KLAILNCOSA-N 1 3 338.496 -0.025 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)C1 ZINC000996801126 726427858 /nfs/dbraw/zinc/42/78/58/726427858.db2.gz DBBQDACGQBVWGZ-KLAILNCOSA-N 1 3 338.496 -0.025 20 0 EBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998553410 726490723 /nfs/dbraw/zinc/49/07/23/726490723.db2.gz WQKHZRJOCSZJML-NRXISQOPSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346871 726515263 /nfs/dbraw/zinc/51/52/63/726515263.db2.gz GZVRSDHFVUNXNG-CHWSQXEVSA-N 1 3 336.436 -0.144 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363071 726516409 /nfs/dbraw/zinc/51/64/09/726516409.db2.gz BYYUPAPHPMVOCQ-CABCVRRESA-N 1 3 337.468 -0.068 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001000217511 726559899 /nfs/dbraw/zinc/55/98/99/726559899.db2.gz HHWONGVGAZKTCJ-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001000222230 726560232 /nfs/dbraw/zinc/56/02/32/726560232.db2.gz CQMUCPNLWUZOQP-STQMWFEESA-N 1 3 339.440 -0.541 20 0 EBADHO C[C@@H](O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000979394 726585950 /nfs/dbraw/zinc/58/59/50/726585950.db2.gz ZIADBCDYTLWTAP-REUGXJQISA-N 1 3 335.448 -0.021 20 0 EBADHO C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000979394 726585951 /nfs/dbraw/zinc/58/59/51/726585951.db2.gz ZIADBCDYTLWTAP-REUGXJQISA-N 1 3 335.448 -0.021 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001002082990 726631943 /nfs/dbraw/zinc/63/19/43/726631943.db2.gz GSXJOTXRCQCHSH-HZPDHXFCSA-N 1 3 334.464 -0.003 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003334558 726670135 /nfs/dbraw/zinc/67/01/35/726670135.db2.gz WSNTUACPSXBPJU-AWEZNQCLSA-N 1 3 334.464 -0.001 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001051825662 735417248 /nfs/dbraw/zinc/41/72/48/735417248.db2.gz VCNGHDFBSGYQRB-ZIAGYGMSSA-N 1 3 338.452 -0.576 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018635742 728682720 /nfs/dbraw/zinc/68/27/20/728682720.db2.gz RXGGZAQXEBXFRD-KBPBESRZSA-N 1 3 344.481 -0.693 20 0 EBADHO CC[C@@H](N[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001018860894 728696040 /nfs/dbraw/zinc/69/60/40/728696040.db2.gz KVENLBGEMHRRCP-QWHCGFSZSA-N 1 3 336.440 -0.487 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020165170 729089406 /nfs/dbraw/zinc/08/94/06/729089406.db2.gz MVFQPOXYPKBBEW-JOCQHMNTSA-N 1 3 346.439 -0.376 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179190 729092146 /nfs/dbraw/zinc/09/21/46/729092146.db2.gz RPAFOOXSRSHXCD-KQTLUZQSSA-N 1 3 348.451 -0.102 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179190 729092150 /nfs/dbraw/zinc/09/21/50/729092150.db2.gz RPAFOOXSRSHXCD-KQTLUZQSSA-N 1 3 348.451 -0.102 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001020178689 729092466 /nfs/dbraw/zinc/09/24/66/729092466.db2.gz BBSBLSSICPQTKP-AJNGGQMLSA-N 1 3 334.424 -0.622 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588847 729205624 /nfs/dbraw/zinc/20/56/24/729205624.db2.gz OHOOISMYVISCIG-KBUPBQIOSA-N 1 3 343.493 0.000 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001022096877 729454371 /nfs/dbraw/zinc/45/43/71/729454371.db2.gz MVFQPOXYPKBBEW-BETUJISGSA-N 1 3 346.439 -0.376 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120833 729457681 /nfs/dbraw/zinc/45/76/81/729457681.db2.gz RPAFOOXSRSHXCD-CTASWTNQSA-N 1 3 348.451 -0.102 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022120833 729457683 /nfs/dbraw/zinc/45/76/83/729457683.db2.gz RPAFOOXSRSHXCD-CTASWTNQSA-N 1 3 348.451 -0.102 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001022597657 729516364 /nfs/dbraw/zinc/51/63/64/729516364.db2.gz MSYXQIPFFASQDO-GUTXKFCHSA-N 1 3 336.440 -0.339 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001022598382 729516480 /nfs/dbraw/zinc/51/64/80/729516480.db2.gz YJNYNEOAWZGJFB-HZSPNIEDSA-N 1 3 336.440 -0.339 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001022713939 729524328 /nfs/dbraw/zinc/52/43/28/729524328.db2.gz NKXHJTIPVSJWGQ-MELADBBJSA-N 1 3 336.436 -0.286 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024955945 729945538 /nfs/dbraw/zinc/94/55/38/729945538.db2.gz MEMHISJTASYDCP-NWANDNLSSA-N 1 3 349.435 -0.710 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024955945 729945539 /nfs/dbraw/zinc/94/55/39/729945539.db2.gz MEMHISJTASYDCP-NWANDNLSSA-N 1 3 349.435 -0.710 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812878 730095168 /nfs/dbraw/zinc/09/51/68/730095168.db2.gz VOHQYNYSCSMPRR-OWYFMNJBSA-N 1 3 334.464 -0.101 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812878 730095171 /nfs/dbraw/zinc/09/51/71/730095171.db2.gz VOHQYNYSCSMPRR-OWYFMNJBSA-N 1 3 334.464 -0.101 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC001025926236 730108847 /nfs/dbraw/zinc/10/88/47/730108847.db2.gz JZLYQYZIVQFFEN-LEOABGAYSA-N 1 3 332.448 -0.204 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001025926235 730108946 /nfs/dbraw/zinc/10/89/46/730108946.db2.gz JZLYQYZIVQFFEN-DGADGQDISA-N 1 3 332.448 -0.204 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040880 730117261 /nfs/dbraw/zinc/11/72/61/730117261.db2.gz SVLSFEADLBVPNX-LVYCXYHQSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040880 730117262 /nfs/dbraw/zinc/11/72/62/730117262.db2.gz SVLSFEADLBVPNX-LVYCXYHQSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043518 730117485 /nfs/dbraw/zinc/11/74/85/730117485.db2.gz IALGXZFMVAZNFQ-KSXIZUIISA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043518 730117487 /nfs/dbraw/zinc/11/74/87/730117487.db2.gz IALGXZFMVAZNFQ-KSXIZUIISA-N 1 3 334.464 -0.005 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140374 730124468 /nfs/dbraw/zinc/12/44/68/730124468.db2.gz KLQDUMVNIZODRU-WSGDXGOYSA-N 1 3 334.420 -0.820 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140374 730124469 /nfs/dbraw/zinc/12/44/69/730124469.db2.gz KLQDUMVNIZODRU-WSGDXGOYSA-N 1 3 334.420 -0.820 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001026885052 730166934 /nfs/dbraw/zinc/16/69/34/730166934.db2.gz FKGXXXIYARJCGY-QWHCGFSZSA-N 1 3 336.436 -0.286 20 0 EBADHO O=C(NC[C@@H]1CCN(CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028931739 730372316 /nfs/dbraw/zinc/37/23/16/730372316.db2.gz WVVRIAUDYRYYCE-AWEZNQCLSA-N 1 3 348.447 -0.331 20 0 EBADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCC(=O)NC1=O ZINC001029905942 730523191 /nfs/dbraw/zinc/52/31/91/730523191.db2.gz XZEWANYYEVPWOI-KBPBESRZSA-N 1 3 336.436 -0.332 20 0 EBADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCC(=O)NC1=O ZINC001029905942 730523194 /nfs/dbraw/zinc/52/31/94/730523194.db2.gz XZEWANYYEVPWOI-KBPBESRZSA-N 1 3 336.436 -0.332 20 0 EBADHO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001034693927 731150937 /nfs/dbraw/zinc/15/09/37/731150937.db2.gz JCSJLPWWNJJEBM-DEWJTKQSSA-N 1 3 336.436 -0.648 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001034964329 731169361 /nfs/dbraw/zinc/16/93/61/731169361.db2.gz IGMDEWVZFHXUGA-IPYPFGDCSA-N 1 3 338.452 -0.042 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760371 731523331 /nfs/dbraw/zinc/52/33/31/731523331.db2.gz LXSXSLSJQKPJPV-PBHICJAKSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039760371 731523334 /nfs/dbraw/zinc/52/33/34/731523334.db2.gz LXSXSLSJQKPJPV-PBHICJAKSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039784336 731532856 /nfs/dbraw/zinc/53/28/56/731532856.db2.gz COUVNZGRBDJBLT-MRXNPFEDSA-N 1 3 328.457 -0.641 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040797598 731879370 /nfs/dbraw/zinc/87/93/70/731879370.db2.gz JZUYZHLAWWMBBH-PBHICJAKSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001043158167 732794567 /nfs/dbraw/zinc/79/45/67/732794567.db2.gz RNVZDIJCFZTYRH-UHFFFAOYSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061605911 738646222 /nfs/dbraw/zinc/64/62/22/738646222.db2.gz ZWRCWNPOGQQGDC-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043261788 732847914 /nfs/dbraw/zinc/84/79/14/732847914.db2.gz QMROLHODJXANFU-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043261788 732847918 /nfs/dbraw/zinc/84/79/18/732847918.db2.gz QMROLHODJXANFU-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043416269 732923438 /nfs/dbraw/zinc/92/34/38/732923438.db2.gz VOFDNZIMIRCAGY-CQSZACIVSA-N 1 3 340.468 -0.498 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1 ZINC001044294636 733363341 /nfs/dbraw/zinc/36/33/41/733363341.db2.gz QBMHYFYBRQRNOE-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1 ZINC001044294636 733363344 /nfs/dbraw/zinc/36/33/44/733363344.db2.gz QBMHYFYBRQRNOE-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001045218410 733626936 /nfs/dbraw/zinc/62/69/36/733626936.db2.gz OTLFQFIMTULNPI-OCCSQVGLSA-N 1 3 340.449 -0.033 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001045392160 733684696 /nfs/dbraw/zinc/68/46/96/733684696.db2.gz PRHJSCNLNQTMQQ-ZDUSSCGKSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001045412396 733689546 /nfs/dbraw/zinc/68/95/46/733689546.db2.gz BFKLZQPEUKWESK-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413559 733690467 /nfs/dbraw/zinc/69/04/67/733690467.db2.gz RBEMLUNLMGUQJS-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)C1 ZINC001046064651 733841200 /nfs/dbraw/zinc/84/12/00/733841200.db2.gz QOZCUIRJINDGQO-SJORKVTESA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)C1 ZINC001046064651 733841204 /nfs/dbraw/zinc/84/12/04/733841204.db2.gz QOZCUIRJINDGQO-SJORKVTESA-N 1 3 338.496 -0.071 20 0 EBADHO CN(CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)C1CCC1 ZINC001061861123 738790589 /nfs/dbraw/zinc/79/05/89/738790589.db2.gz DMLXXVJWJSCNDM-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862291 738791393 /nfs/dbraw/zinc/79/13/93/738791393.db2.gz RZYISQNTAAKUFI-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047559659 734253404 /nfs/dbraw/zinc/25/34/04/734253404.db2.gz ZPTNTHPHAQFAJC-HOTGVXAUSA-N 1 3 335.452 -0.028 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001048873441 734549526 /nfs/dbraw/zinc/54/95/26/734549526.db2.gz FXVCVOBYHCMBHH-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048873441 734549533 /nfs/dbraw/zinc/54/95/33/734549533.db2.gz FXVCVOBYHCMBHH-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO CC(C)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048976697 734594074 /nfs/dbraw/zinc/59/40/74/734594074.db2.gz DUZYNJQXBJRWKX-KKUMJFAQSA-N 1 3 340.468 -0.692 20 0 EBADHO CC(C)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048976697 734594075 /nfs/dbraw/zinc/59/40/75/734594075.db2.gz DUZYNJQXBJRWKX-KKUMJFAQSA-N 1 3 340.468 -0.692 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049056865 734629094 /nfs/dbraw/zinc/62/90/94/734629094.db2.gz CARAYBIELNVRHO-OAGGEKHMSA-N 1 3 349.479 -0.114 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049056865 734629095 /nfs/dbraw/zinc/62/90/95/734629095.db2.gz CARAYBIELNVRHO-OAGGEKHMSA-N 1 3 349.479 -0.114 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)N(C)C ZINC001049119429 734653111 /nfs/dbraw/zinc/65/31/11/734653111.db2.gz PVZVDQIOHKGSNL-KKUMJFAQSA-N 1 3 342.484 -0.302 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050236916 734877821 /nfs/dbraw/zinc/87/78/21/734877821.db2.gz SJZSZWBKERGGHN-WCQYABFASA-N 1 3 333.392 -0.414 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054734680 736236280 /nfs/dbraw/zinc/23/62/80/736236280.db2.gz CNKHXIOKAOCIIN-UKRRQHHQSA-N 1 3 337.468 -0.068 20 0 EBADHO CC(C)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055979920 736578979 /nfs/dbraw/zinc/57/89/79/736578979.db2.gz CUIVBMMRULPVQU-QGZVFWFLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001056104342 736642869 /nfs/dbraw/zinc/64/28/69/736642869.db2.gz CVLKEGMAJOOVGF-YOEHRIQHSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001057632386 737371644 /nfs/dbraw/zinc/37/16/44/737371644.db2.gz NLAZQSKYYGEELD-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001057632386 737371648 /nfs/dbraw/zinc/37/16/48/737371648.db2.gz NLAZQSKYYGEELD-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001057658879 737395955 /nfs/dbraw/zinc/39/59/55/737395955.db2.gz GQHHZYXMUWAKOI-INIZCTEOSA-N 1 3 344.500 -0.149 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057659251 737396647 /nfs/dbraw/zinc/39/66/47/737396647.db2.gz NELSRVPJDWJQRH-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001057659718 737397329 /nfs/dbraw/zinc/39/73/29/737397329.db2.gz WKXPNZPFIADCDC-UHFFFAOYSA-N 1 3 330.473 -0.393 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001057975438 737572712 /nfs/dbraw/zinc/57/27/12/737572712.db2.gz SDFAUFVSJNTTRN-CQSZACIVSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001058170128 737691928 /nfs/dbraw/zinc/69/19/28/737691928.db2.gz ZHJUQDYAHLBJRG-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001058170128 737691930 /nfs/dbraw/zinc/69/19/30/737691930.db2.gz ZHJUQDYAHLBJRG-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001058253912 737736218 /nfs/dbraw/zinc/73/62/18/737736218.db2.gz NIWBFGRTAUPNNW-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058255561 737737986 /nfs/dbraw/zinc/73/79/86/737737986.db2.gz UVYUXJYPCNTTJG-LSDHHAIUSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001058255561 737737989 /nfs/dbraw/zinc/73/79/89/737737989.db2.gz UVYUXJYPCNTTJG-LSDHHAIUSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601855 737917110 /nfs/dbraw/zinc/91/71/10/737917110.db2.gz SGOXPGQDEVPNOS-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065168733 739573272 /nfs/dbraw/zinc/57/32/72/739573272.db2.gz FCRIXEBVDORWDF-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001065168733 739573275 /nfs/dbraw/zinc/57/32/75/739573275.db2.gz FCRIXEBVDORWDF-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065409643 739694014 /nfs/dbraw/zinc/69/40/14/739694014.db2.gz MJLLXTRQQXKPCS-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001065409643 739694018 /nfs/dbraw/zinc/69/40/18/739694018.db2.gz MJLLXTRQQXKPCS-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)CCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001068992918 740517134 /nfs/dbraw/zinc/51/71/34/740517134.db2.gz QZRFGYSOTWNVAV-AWEZNQCLSA-N 1 3 349.435 -0.220 20 0 EBADHO COC[C@@H](C)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070095075 740694717 /nfs/dbraw/zinc/69/47/17/740694717.db2.gz UCRXDSGOKAXFKW-KFWWJZLASA-N 1 3 336.440 -0.250 20 0 EBADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209036 740749597 /nfs/dbraw/zinc/74/95/97/740749597.db2.gz JRMFTOSKBCSFSW-CFVMTHIKSA-N 1 3 336.440 -0.515 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)N(C)C ZINC001070687959 740919933 /nfs/dbraw/zinc/91/99/33/740919933.db2.gz GYLLGBPFGJQSOT-IIAWOOMASA-N 1 3 337.468 -0.117 20 0 EBADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN([C@H](C)C(N)=O)C3)C1 ZINC001072913987 741518438 /nfs/dbraw/zinc/51/84/38/741518438.db2.gz PYXBOMGCHPINET-ZIAGYGMSSA-N 1 3 338.452 -0.496 20 0 EBADHO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN([C@H](C)C(N)=O)C3)C1 ZINC001072913987 741518440 /nfs/dbraw/zinc/51/84/40/741518440.db2.gz PYXBOMGCHPINET-ZIAGYGMSSA-N 1 3 338.452 -0.496 20 0 EBADHO O=C(N1CC2(C1)CCN(CCn1cncn1)C2)C12CC[NH+](CC1)C2 ZINC001073129254 741566693 /nfs/dbraw/zinc/56/66/93/741566693.db2.gz OHGQOFSFHHUVCY-UHFFFAOYSA-N 1 3 330.436 -0.092 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713274 742083682 /nfs/dbraw/zinc/08/36/82/742083682.db2.gz PHBDCGHEUSYTCD-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001074959520 742146728 /nfs/dbraw/zinc/14/67/28/742146728.db2.gz QZSJWDZBILJIQT-QEJZJMRPSA-N 1 3 348.451 -0.474 20 0 EBADHO NC(=O)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075395626 742222171 /nfs/dbraw/zinc/22/21/71/742222171.db2.gz TWLJJXVTFFPCPG-UKRRQHHQSA-N 1 3 349.435 -0.187 20 0 EBADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)COCC[NH+](C)C ZINC001075941350 742336446 /nfs/dbraw/zinc/33/64/46/742336446.db2.gz RTUITWFNSFHAMV-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076070370 742371634 /nfs/dbraw/zinc/37/16/34/742371634.db2.gz GBLNGDNTMWSVQG-HNCZQISISA-N 1 3 335.448 -0.235 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076070370 742371640 /nfs/dbraw/zinc/37/16/40/742371640.db2.gz GBLNGDNTMWSVQG-HNCZQISISA-N 1 3 335.448 -0.235 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC3(C2)CCCN(CCO)C3)n1 ZINC000981774692 806273977 /nfs/dbraw/zinc/27/39/77/806273977.db2.gz GGNZVKLSHMBWMP-UHFFFAOYSA-N 1 3 335.452 -0.025 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000976864407 803916424 /nfs/dbraw/zinc/91/64/24/803916424.db2.gz JXZLIQUFCGAFLQ-KDEOKCCVSA-N 1 3 334.464 -0.005 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000976864407 803916428 /nfs/dbraw/zinc/91/64/28/803916428.db2.gz JXZLIQUFCGAFLQ-KDEOKCCVSA-N 1 3 334.464 -0.005 20 0 EBADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000976868964 803923008 /nfs/dbraw/zinc/92/30/08/803923008.db2.gz KQFMYMOFDWKSRW-BARDWOONSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000984805499 807390837 /nfs/dbraw/zinc/39/08/37/807390837.db2.gz SXZVIYNUUKBXKD-XDQVBPFNSA-N 1 3 336.436 -0.240 20 0 EBADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985722328 807570031 /nfs/dbraw/zinc/57/00/31/807570031.db2.gz YDUWMZSUUQNPBS-ZDUSSCGKSA-N 1 3 340.468 -0.106 20 0 EBADHO C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055681 807829668 /nfs/dbraw/zinc/82/96/68/807829668.db2.gz CQCQWISKDFUGBY-CMPLNLGQSA-N 1 3 334.380 -0.917 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491552 808488323 /nfs/dbraw/zinc/48/83/23/808488323.db2.gz HTQKBAARFUJXIS-JQWIXIFHSA-N 1 3 334.380 -0.917 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491208 808488542 /nfs/dbraw/zinc/48/85/42/808488542.db2.gz DRBQRRDZZTUXCR-WCQYABFASA-N 1 3 333.392 -0.320 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)CN1CCCC1 ZINC000989796085 808597084 /nfs/dbraw/zinc/59/70/84/808597084.db2.gz HEWOFWIREBITAZ-ZIAGYGMSSA-N 1 3 336.436 -0.190 20 0 EBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184947 810312417 /nfs/dbraw/zinc/31/24/17/810312417.db2.gz VHUTYOPHHUHIPT-LZLPTKFFSA-N 1 3 336.436 -0.968 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456461 810329561 /nfs/dbraw/zinc/32/95/61/810329561.db2.gz VQPKJNQAJSHYPU-ZIAGYGMSSA-N 1 3 328.457 -0.473 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453709 810329622 /nfs/dbraw/zinc/32/96/22/810329622.db2.gz OMIGVBZDFFBGSU-DGCLKSJQSA-N 1 3 339.440 -0.780 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459025 810331256 /nfs/dbraw/zinc/33/12/56/810331256.db2.gz UPLAROMLMDYOLL-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001215516825 810332975 /nfs/dbraw/zinc/33/29/75/810332975.db2.gz WQNCTDLXBRFOHL-UPJWGTAASA-N 1 3 341.456 -0.262 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215563726 810336295 /nfs/dbraw/zinc/33/62/95/810336295.db2.gz MUBLONRUYWWAJR-VXGBXAGGSA-N 1 3 341.456 -0.404 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216001996 810355119 /nfs/dbraw/zinc/35/51/19/810355119.db2.gz NSLILPJANSCAEP-FRRDWIJNSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001216229403 810364591 /nfs/dbraw/zinc/36/45/91/810364591.db2.gz IQZYHMZYSFQIEN-GRYCIOLGSA-N 1 3 327.429 -0.652 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001216229403 810364598 /nfs/dbraw/zinc/36/45/98/810364598.db2.gz IQZYHMZYSFQIEN-GRYCIOLGSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001216459675 810374736 /nfs/dbraw/zinc/37/47/36/810374736.db2.gz ZHPDFHLOWPLMDY-FRRDWIJNSA-N 1 3 341.456 -0.262 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001216851660 810396305 /nfs/dbraw/zinc/39/63/05/810396305.db2.gz FNYQCVLTRBXFCH-ZIAGYGMSSA-N 1 3 325.457 -0.212 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218442316 810493201 /nfs/dbraw/zinc/49/32/01/810493201.db2.gz OXIAPOXHSHOHDQ-FXPVBKGRSA-N 1 3 336.392 -0.110 20 0 EBADHO CN1CCN(c2ncc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cn2)CC1 ZINC001218579343 810506925 /nfs/dbraw/zinc/50/69/25/810506925.db2.gz CGPVKCCPFQAXSD-CQSZACIVSA-N 1 3 333.440 -0.506 20 0 EBADHO CN1CCN(c2ncc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cn2)CC1 ZINC001218580681 810507182 /nfs/dbraw/zinc/50/71/82/810507182.db2.gz VQZBUJAZWLGIRG-CXAGYDPISA-N 1 3 345.451 -0.634 20 0 EBADHO CN1CCN(c2ncc(NC(=O)[C@@H](N)CSCC[NH3+])cn2)CC1 ZINC001218579260 810507288 /nfs/dbraw/zinc/50/72/88/810507288.db2.gz BCEPUSZKGOOKCL-LBPRGKRZSA-N 1 3 339.469 -0.814 20 0 EBADHO Nc1cnc(N(CC(F)(F)F)C(=O)[C@H]2C[NH2+]CC23CNC3)nc1 ZINC001218740956 810524970 /nfs/dbraw/zinc/52/49/70/810524970.db2.gz QRTLAEUKWSHEHJ-SECBINFHSA-N 1 3 330.314 -0.237 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001015655551 810555313 /nfs/dbraw/zinc/55/53/13/810555313.db2.gz SCXQHSQUVMDTEA-HZPDHXFCSA-N 1 3 335.452 -0.224 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001015655550 810555387 /nfs/dbraw/zinc/55/53/87/810555387.db2.gz SCXQHSQUVMDTEA-HOTGVXAUSA-N 1 3 335.452 -0.224 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C1 ZINC001219640973 810783125 /nfs/dbraw/zinc/78/31/25/810783125.db2.gz DNZYQACDARVQIW-MJBXVCDLSA-N 1 3 348.451 -0.324 20 0 EBADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219703871 810802952 /nfs/dbraw/zinc/80/29/52/810802952.db2.gz RVSZKVWQOBGWPY-HNNXBMFYSA-N 1 3 349.456 -0.275 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743794 810819835 /nfs/dbraw/zinc/81/98/35/810819835.db2.gz MESNZDHQJAHBEH-MJBXVCDLSA-N 1 3 338.452 -0.258 20 0 EBADHO C[S@](=O)CC[C@H](N)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788980 810841630 /nfs/dbraw/zinc/84/16/30/810841630.db2.gz ULYFVTOXRZKMAG-RGDDPNHNSA-N 1 3 326.466 -0.190 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800440 810848245 /nfs/dbraw/zinc/84/82/45/810848245.db2.gz JYDLXVAAWIVOJE-IHRRRGAJSA-N 1 3 340.468 -0.251 20 0 EBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CNCc2ccnn2C1 ZINC001219833857 810868302 /nfs/dbraw/zinc/86/83/02/810868302.db2.gz LABGZAVGAOBQSP-KEYYUXOJSA-N 1 3 349.435 -0.886 20 0 EBADHO O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)N1CCc2ccccc21 ZINC001219978583 810934484 /nfs/dbraw/zinc/93/44/84/810934484.db2.gz PAXZJBGYKRIUEP-RDTXWAMCSA-N 1 3 328.416 -0.109 20 0 EBADHO C[NH2+]CCNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC ZINC001220055790 810963314 /nfs/dbraw/zinc/96/33/14/810963314.db2.gz DAYYKXJEATZPHG-QWRGUYRKSA-N 1 3 336.527 -0.360 20 0 EBADHO CCOC(=O)CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)COC1 ZINC001220214986 811017527 /nfs/dbraw/zinc/01/75/27/811017527.db2.gz IILWLUASEIXVJH-LBPRGKRZSA-N 1 3 325.409 -0.301 20 0 EBADHO CCOC(=O)CC1(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)COC1 ZINC001220214986 811017534 /nfs/dbraw/zinc/01/75/34/811017534.db2.gz IILWLUASEIXVJH-LBPRGKRZSA-N 1 3 325.409 -0.301 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220229041 811026652 /nfs/dbraw/zinc/02/66/52/811026652.db2.gz JZDDCUGHTOVJDO-KFWWJZLASA-N 1 3 325.453 -0.084 20 0 EBADHO NCc1ccc2c(n1)N(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)CCC2 ZINC001220377360 811079806 /nfs/dbraw/zinc/07/98/06/811079806.db2.gz UATZGCGJCANDHP-HNNXBMFYSA-N 1 3 332.452 -0.430 20 0 EBADHO Cn1cc(-c2cc(CNC(=O)[C@H]3C[NH2+]CC34CNC4)ccn2)cn1 ZINC001220454319 811113177 /nfs/dbraw/zinc/11/31/77/811113177.db2.gz SXITYPMSSKYWSG-CQSZACIVSA-N 1 3 326.404 -0.093 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036192642 811117583 /nfs/dbraw/zinc/11/75/83/811117583.db2.gz IMGGYQJOEITLPX-OCCSQVGLSA-N 1 3 347.419 -0.072 20 0 EBADHO COc1ccc([C@@H](N)CC(=O)NCCOCCOCC[NH3+])cn1 ZINC001220519368 811135735 /nfs/dbraw/zinc/13/57/35/811135735.db2.gz LRVWUGQREQZBPD-ZDUSSCGKSA-N 1 3 326.397 -0.412 20 0 EBADHO O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220736997 811223078 /nfs/dbraw/zinc/22/30/78/811223078.db2.gz YWYZZYKDSKOQCY-CVEARBPZSA-N 1 3 330.432 -0.183 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801501 811246495 /nfs/dbraw/zinc/24/64/95/811246495.db2.gz ZYEYUFMLEBWOKD-CIUDSAMLSA-N 1 3 325.335 -0.581 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC)C[NH2+]C1 ZINC001220827903 811259353 /nfs/dbraw/zinc/25/93/53/811259353.db2.gz CEMSLWXQBVAHDE-NSHDSACASA-N 1 3 341.408 -0.157 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC(=O)OC(C)(CC)CC)CNC1 ZINC001220851316 811266423 /nfs/dbraw/zinc/26/64/23/811266423.db2.gz QDVCTCYVKNGFLK-NSHDSACASA-N 1 3 343.424 -0.153 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H](N)CC(=O)OC(C)(CC)CC)C[NH2+]C1 ZINC001220851316 811266430 /nfs/dbraw/zinc/26/64/30/811266430.db2.gz QDVCTCYVKNGFLK-NSHDSACASA-N 1 3 343.424 -0.153 20 0 EBADHO O=C(CNC(=O)[C@H]1[NH2+]CC[C@H]1O)N1CCN(C2CCCCC2)CC1 ZINC001220900267 811287489 /nfs/dbraw/zinc/28/74/89/811287489.db2.gz FTXWMUBXIAJYOV-ZBFHGGJFSA-N 1 3 338.452 -0.698 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220929855 811298617 /nfs/dbraw/zinc/29/86/17/811298617.db2.gz HLTZYZNSEMZTQQ-QCQGSNGOSA-N 1 3 340.468 -0.027 20 0 EBADHO COCCOc1nccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001221158196 811397002 /nfs/dbraw/zinc/39/70/02/811397002.db2.gz UIGXNUAOCXQDAU-MLGOLLRUSA-N 1 3 335.408 -0.683 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@]2(C)CCC[N@H+](C)C2)COC1(C)C ZINC001221244242 811424221 /nfs/dbraw/zinc/42/42/21/811424221.db2.gz UBYUSNDRGZLSGS-MQIPJXDCSA-N 1 3 326.441 -0.102 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@]2(C)CCC[N@@H+](C)C2)COC1(C)C ZINC001221244242 811424224 /nfs/dbraw/zinc/42/42/24/811424224.db2.gz UBYUSNDRGZLSGS-MQIPJXDCSA-N 1 3 326.441 -0.102 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN1CCCS1(=O)=O ZINC001221336268 811443132 /nfs/dbraw/zinc/44/31/32/811443132.db2.gz MDCYVPGWDWNBBL-ZDUSSCGKSA-N 1 3 334.486 -0.366 20 0 EBADHO Cn1ncc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(Br)c1=O ZINC001221401011 811450418 /nfs/dbraw/zinc/45/04/18/811450418.db2.gz ADEFYSDEXNXOHK-SNVBAGLBSA-N 1 3 344.213 -0.192 20 0 EBADHO Cc1nnc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[nH]1 ZINC001221409497 811451981 /nfs/dbraw/zinc/45/19/81/811451981.db2.gz UPQONWNBFHRMHT-RYUDHWBXSA-N 1 3 337.428 -0.823 20 0 EBADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001080016963 811843718 /nfs/dbraw/zinc/84/37/18/811843718.db2.gz UEBIBZMPOQXITL-OAHLLOKOSA-N 1 3 342.484 -0.036 20 0 EBADHO COC(=O)CCCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242169 812525356 /nfs/dbraw/zinc/52/53/56/812525356.db2.gz NDZZQBKDACOIGP-GFCCVEGCSA-N 1 3 333.454 -0.267 20 0 EBADHO COC(=O)CCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238242169 812525361 /nfs/dbraw/zinc/52/53/61/812525361.db2.gz NDZZQBKDACOIGP-GFCCVEGCSA-N 1 3 333.454 -0.267 20 0 EBADHO COC(=O)c1ccc([C@@H](N)CNS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC001238919186 812535945 /nfs/dbraw/zinc/53/59/45/812535945.db2.gz JAQVEWALRFDAAL-OLZOCXBDSA-N 1 3 327.406 -0.246 20 0 EBADHO c1cnc(N2CCN(C3CN([C@@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246550736 812575586 /nfs/dbraw/zinc/57/55/86/812575586.db2.gz OPDBCESRXGXFKH-OAHLLOKOSA-N 1 3 343.479 -0.623 20 0 EBADHO COC(=O)C1C[C@@H]2CC(N3CCNC[C@@H]3C(=O)OC)C[C@H](C1)[NH2+]2 ZINC001246621443 812576773 /nfs/dbraw/zinc/57/67/73/812576773.db2.gz LQIHPDHTUDKBAW-OONHEIRLSA-N 1 3 325.409 -0.495 20 0 EBADHO O=C([C@@H]1C[C@H](N2CC[C@@H]3OCCN[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246653902 812579528 /nfs/dbraw/zinc/57/95/28/812579528.db2.gz BQAGOUMWYVMGHR-XUXIUFHCSA-N 1 3 326.466 -0.688 20 0 EBADHO CC(=O)NCc1ncn2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246766654 812587859 /nfs/dbraw/zinc/58/78/59/812587859.db2.gz OGTRQCQDNHTKPP-CQSZACIVSA-N 1 3 332.452 -0.181 20 0 EBADHO NC(=O)c1cccnc1N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246848284 812590502 /nfs/dbraw/zinc/59/05/02/812590502.db2.gz YBXZTGOIAVDSRW-CYBMUJFWSA-N 1 3 330.436 -0.604 20 0 EBADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@H]([NH2+]C[C@H](O)CO)C2 ZINC001252068853 812646013 /nfs/dbraw/zinc/64/60/13/812646013.db2.gz SULIEKOBBJJSAJ-HOTGVXAUSA-N 1 3 335.448 -0.256 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001263102769 813106932 /nfs/dbraw/zinc/10/69/32/813106932.db2.gz DJVRJJIBLQFADV-SFHVURJKSA-N 1 3 345.491 -0.046 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001263102768 813107405 /nfs/dbraw/zinc/10/74/05/813107405.db2.gz DJVRJJIBLQFADV-GOSISDBHSA-N 1 3 345.491 -0.046 20 0 EBADHO C[C@H](C(=O)N1CCNCCN(C(=O)[C@@H](C)[NH+](C)C)CC1)N(C)C ZINC001263202881 813109092 /nfs/dbraw/zinc/10/90/92/813109092.db2.gz MXMJMMXZCOUYQX-ZIAGYGMSSA-N 1 3 327.473 -0.853 20 0 EBADHO CCN(CCCNC(=O)COC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001265139077 813246748 /nfs/dbraw/zinc/24/67/48/813246748.db2.gz CKGLGHHVARPWEC-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001265690928 813359370 /nfs/dbraw/zinc/35/93/70/813359370.db2.gz AHBRXFKGIQPXGP-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001265690928 813359376 /nfs/dbraw/zinc/35/93/76/813359376.db2.gz AHBRXFKGIQPXGP-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001265945394 813423736 /nfs/dbraw/zinc/42/37/36/813423736.db2.gz LRHWRJFZYGAKKU-HNNXBMFYSA-N 1 3 326.441 -0.575 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001081732646 813487427 /nfs/dbraw/zinc/48/74/27/813487427.db2.gz JLXUOIWQUZTVAP-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001266875415 813689295 /nfs/dbraw/zinc/68/92/95/813689295.db2.gz ZCFMWSWOFMTCLE-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267280376 813819801 /nfs/dbraw/zinc/81/98/01/813819801.db2.gz ADDXGKMEILETTA-CVEARBPZSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267280376 813819811 /nfs/dbraw/zinc/81/98/11/813819811.db2.gz ADDXGKMEILETTA-CVEARBPZSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267380502 813868132 /nfs/dbraw/zinc/86/81/32/813868132.db2.gz PUMNTQHZAYQNSL-NEPJUHHUSA-N 1 3 330.404 -0.481 20 0 EBADHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1 ZINC001267563884 813931219 /nfs/dbraw/zinc/93/12/19/813931219.db2.gz HTZFIMXPYDSLBG-KBPBESRZSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614247 814319243 /nfs/dbraw/zinc/31/92/43/814319243.db2.gz UWAOABXGEQTQLD-QSKOYVBTSA-N 1 3 325.413 -0.826 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001268614247 814319250 /nfs/dbraw/zinc/31/92/50/814319250.db2.gz UWAOABXGEQTQLD-QSKOYVBTSA-N 1 3 325.413 -0.826 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001268660913 814341986 /nfs/dbraw/zinc/34/19/86/814341986.db2.gz AKYHODABVFVIHJ-IUODEOHRSA-N 1 3 326.441 -0.184 20 0 EBADHO CCS(=O)(=O)NCCNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711335 814361853 /nfs/dbraw/zinc/36/18/53/814361853.db2.gz FHOQLPHXILTECT-LBPRGKRZSA-N 1 3 332.470 -0.884 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001269186878 814572348 /nfs/dbraw/zinc/57/23/48/814572348.db2.gz QAGDEGWSUHCGBP-HZPDHXFCSA-N 1 3 346.422 -0.009 20 0 EBADHO CN(C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247647 814593186 /nfs/dbraw/zinc/59/31/86/814593186.db2.gz ICIBAGHSWIQGPB-PBHICJAKSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)OCC1=O ZINC001269247647 814593191 /nfs/dbraw/zinc/59/31/91/814593191.db2.gz ICIBAGHSWIQGPB-PBHICJAKSA-N 1 3 338.452 -0.670 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083655148 814665382 /nfs/dbraw/zinc/66/53/82/814665382.db2.gz ZASTUPWGTAELAJ-OWQJAQGESA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083655148 814665386 /nfs/dbraw/zinc/66/53/86/814665386.db2.gz ZASTUPWGTAELAJ-OWQJAQGESA-N 1 3 335.448 -0.189 20 0 EBADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001272555789 816473095 /nfs/dbraw/zinc/47/30/95/816473095.db2.gz UMGZVJKTWRXPEF-HRCADAONSA-N 1 3 332.452 -0.169 20 0 EBADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001272555789 816473101 /nfs/dbraw/zinc/47/31/01/816473101.db2.gz UMGZVJKTWRXPEF-HRCADAONSA-N 1 3 332.452 -0.169 20 0 EBADHO C[C@@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001273018296 816567531 /nfs/dbraw/zinc/56/75/31/816567531.db2.gz ISAQLYCHYHHIRA-KBPBESRZSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088493175 816691876 /nfs/dbraw/zinc/69/18/76/816691876.db2.gz BSZBZLDPJOWXGP-HZSPNIEDSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088493175 816691878 /nfs/dbraw/zinc/69/18/78/816691878.db2.gz BSZBZLDPJOWXGP-HZSPNIEDSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1CCN1C(=O)CCC1=O ZINC001088493175 816691882 /nfs/dbraw/zinc/69/18/82/816691882.db2.gz BSZBZLDPJOWXGP-HZSPNIEDSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CCN1C(=O)CCC1=O ZINC001088493175 816691886 /nfs/dbraw/zinc/69/18/86/816691886.db2.gz BSZBZLDPJOWXGP-HZSPNIEDSA-N 1 3 336.436 -0.191 20 0 EBADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(CCn1ccnc1)C2 ZINC001273784549 816760021 /nfs/dbraw/zinc/76/00/21/816760021.db2.gz DREUUPPVFKUYCE-KRWDZBQOSA-N 1 3 335.452 -0.004 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C[C@@H](O)Cn1cccn1 ZINC001088984101 816775216 /nfs/dbraw/zinc/77/52/16/816775216.db2.gz HGEBRRWOALEGBM-OAGGEKHMSA-N 1 3 347.463 -0.081 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001274076494 816862445 /nfs/dbraw/zinc/86/24/45/816862445.db2.gz PSTVGDDQJYMFIZ-PUWCWTCHSA-N 1 3 336.436 -0.072 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001274076494 816862453 /nfs/dbraw/zinc/86/24/53/816862453.db2.gz PSTVGDDQJYMFIZ-PUWCWTCHSA-N 1 3 336.436 -0.072 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969484 816958187 /nfs/dbraw/zinc/95/81/87/816958187.db2.gz UFEQQYXYVNIWGO-HUUCEWRRSA-N 1 3 325.453 -0.082 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969484 816958192 /nfs/dbraw/zinc/95/81/92/816958192.db2.gz UFEQQYXYVNIWGO-HUUCEWRRSA-N 1 3 325.453 -0.082 20 0 EBADHO CC[NH+](CC)C[C@H](O)CN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274656893 817060851 /nfs/dbraw/zinc/06/08/51/817060851.db2.gz SNYFRMPDJYMPNS-HNNXBMFYSA-N 1 3 342.484 -0.836 20 0 EBADHO C[C@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001275697049 817274604 /nfs/dbraw/zinc/27/46/04/817274604.db2.gz CTTJRTVAUPJFFW-GFCCVEGCSA-N 1 3 337.424 -0.930 20 0 EBADHO O=C(Cn1cccnc1=O)N1CCC12CN(CC1CC[NH2+]CC1)C2 ZINC001276708751 817457219 /nfs/dbraw/zinc/45/72/19/817457219.db2.gz AYRSDUDGKWXULP-UHFFFAOYSA-N 1 3 331.420 -0.470 20 0 EBADHO CN(C)S(=O)(=O)N1CCO[C@H]2CN(CC3CC[NH2+]CC3)C[C@H]21 ZINC001276713514 817459501 /nfs/dbraw/zinc/45/95/01/817459501.db2.gz IBPHQTSZIYMKNS-KGLIPLIRSA-N 1 3 332.470 -0.823 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537372 817519699 /nfs/dbraw/zinc/51/96/99/817519699.db2.gz KBOKHLYAXXXNOP-SJORKVTESA-N 1 3 349.479 -0.144 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537370 817519862 /nfs/dbraw/zinc/51/98/62/817519862.db2.gz KBOKHLYAXXXNOP-IAGOWNOFSA-N 1 3 349.479 -0.144 20 0 EBADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001277824114 817641558 /nfs/dbraw/zinc/64/15/58/817641558.db2.gz TWHBESDYWIQCER-HOTGVXAUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001277994923 817671084 /nfs/dbraw/zinc/67/10/84/817671084.db2.gz KYTGEQNURWXOQW-CHWSQXEVSA-N 1 3 326.441 -0.040 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001277994923 817671088 /nfs/dbraw/zinc/67/10/88/817671088.db2.gz KYTGEQNURWXOQW-CHWSQXEVSA-N 1 3 326.441 -0.040 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729801 817705389 /nfs/dbraw/zinc/70/53/89/817705389.db2.gz AFKLFVKDWGLYJR-CVEARBPZSA-N 1 3 347.463 -0.390 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691090 817795534 /nfs/dbraw/zinc/79/55/34/817795534.db2.gz XBVJMUZPAJDEMD-STQMWFEESA-N 1 3 338.452 -0.042 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001280207612 818025779 /nfs/dbraw/zinc/02/57/79/818025779.db2.gz MNUIIOBQLBKEBX-CYBMUJFWSA-N 1 3 347.419 -0.071 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001280273791 818030331 /nfs/dbraw/zinc/03/03/31/818030331.db2.gz JGHQQSQOEQWSNK-GFCCVEGCSA-N 1 3 327.429 -0.649 20 0 EBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001281634675 818238569 /nfs/dbraw/zinc/23/85/69/818238569.db2.gz NHRHOEVNVIGAAX-UHFFFAOYSA-N 1 3 338.456 -0.437 20 0 EBADHO CN(C[C@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001282025575 818335635 /nfs/dbraw/zinc/33/56/35/818335635.db2.gz HXHCLXXDDRARNG-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001283692574 818907257 /nfs/dbraw/zinc/90/72/57/818907257.db2.gz RQKJANAWXOYXSL-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001283878877 819015013 /nfs/dbraw/zinc/01/50/13/819015013.db2.gz FYIWFXQEFPPAFT-HOCLYGCPSA-N 1 3 342.484 -0.132 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)N(C)C ZINC001284336816 819188441 /nfs/dbraw/zinc/18/84/41/819188441.db2.gz VSAIUEPCTJLWIK-STQMWFEESA-N 1 3 348.513 -0.298 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001100050591 820125977 /nfs/dbraw/zinc/12/59/77/820125977.db2.gz KRRREVHAKGCYLZ-GJZGRUSLSA-N 1 3 329.441 -0.969 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100408188 820406929 /nfs/dbraw/zinc/40/69/29/820406929.db2.gz XWDXIOXUOJRNFB-MMWSSPAHSA-N 1 3 339.440 -0.733 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100920866 820604771 /nfs/dbraw/zinc/60/47/71/820604771.db2.gz FGHKUYMYZRJOSK-UHFFFAOYSA-N 1 3 347.419 -0.106 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H](N(C)C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001293683644 820809329 /nfs/dbraw/zinc/80/93/29/820809329.db2.gz BGUWIWVZBUWXHJ-LSDHHAIUSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320774 821070480 /nfs/dbraw/zinc/07/04/80/821070480.db2.gz SLQDOMILPGRESR-IJLUTSLNSA-N 1 3 327.429 -0.794 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102475304 821118825 /nfs/dbraw/zinc/11/88/25/821118825.db2.gz IAEBNHSXQYFFJV-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102475304 821118833 /nfs/dbraw/zinc/11/88/33/821118833.db2.gz IAEBNHSXQYFFJV-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378684 821302936 /nfs/dbraw/zinc/30/29/36/821302936.db2.gz FGKOLMPWWOIXKJ-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398265 821307542 /nfs/dbraw/zinc/30/75/42/821307542.db2.gz KTZIZWXOZBBOQN-CHWSQXEVSA-N 1 3 341.456 -0.532 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCO ZINC001104433641 821497752 /nfs/dbraw/zinc/49/77/52/821497752.db2.gz PITSRCVTDYFHNL-MYPHYYIGSA-N 1 3 337.464 -0.084 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001316823607 821870081 /nfs/dbraw/zinc/87/00/81/821870081.db2.gz GIUYMPHQUGRMKE-MJBXVCDLSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001316823607 821870088 /nfs/dbraw/zinc/87/00/88/821870088.db2.gz GIUYMPHQUGRMKE-MJBXVCDLSA-N 1 3 338.452 -0.040 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317062036 821990131 /nfs/dbraw/zinc/99/01/31/821990131.db2.gz UJJOFUWEYRWTPO-QLFBSQMISA-N 1 3 340.468 -0.188 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317331723 822085709 /nfs/dbraw/zinc/08/57/09/822085709.db2.gz UITNPOFNDXSDPI-CHWSQXEVSA-N 1 3 337.424 -0.930 20 0 EBADHO C[NH+](C)CCC(=O)NCCC[C@H]1CCCN1CC(=O)NC(N)=O ZINC001317437115 822108078 /nfs/dbraw/zinc/10/80/78/822108078.db2.gz UECJKIYDAZMEEG-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CCNCc1nnc2n1CC[C@@H](NC(=O)COCC[NH+](C)C)CC2 ZINC001128058470 828405517 /nfs/dbraw/zinc/40/55/17/828405517.db2.gz DSJNGGAQIFYOHI-ZDUSSCGKSA-N 1 3 338.456 -0.213 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCCCOC ZINC001128774061 828524856 /nfs/dbraw/zinc/52/48/56/828524856.db2.gz KBOSVPVVXAXYOK-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCCCOC ZINC001128774061 828524865 /nfs/dbraw/zinc/52/48/65/828524865.db2.gz KBOSVPVVXAXYOK-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO O=C(C[NH+]1CCCC1)NCc1cn(C2CN(C[C@@H]3CCOC3)C2)nn1 ZINC001107236481 823821549 /nfs/dbraw/zinc/82/15/49/823821549.db2.gz YBZAHFFMLRGYAR-AWEZNQCLSA-N 1 3 348.451 -0.117 20 0 EBADHO CC[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364335 828605733 /nfs/dbraw/zinc/60/57/33/828605733.db2.gz SMNSFQHFFSFSKT-UONOGXRCSA-N 1 3 326.441 -0.401 20 0 EBADHO CC[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129364335 828605738 /nfs/dbraw/zinc/60/57/38/828605738.db2.gz SMNSFQHFFSFSKT-UONOGXRCSA-N 1 3 326.441 -0.401 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364843 828605816 /nfs/dbraw/zinc/60/58/16/828605816.db2.gz ZXKBZUZOFZKQSA-ZDUSSCGKSA-N 1 3 328.457 -0.282 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429449 828617780 /nfs/dbraw/zinc/61/77/80/828617780.db2.gz GNMHKRORVFIICA-CQSZACIVSA-N 1 3 346.497 -0.352 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429449 828617781 /nfs/dbraw/zinc/61/77/81/828617781.db2.gz GNMHKRORVFIICA-CQSZACIVSA-N 1 3 346.497 -0.352 20 0 EBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430035 828617784 /nfs/dbraw/zinc/61/77/84/828617784.db2.gz NCRRMSORDRTNOI-KGLIPLIRSA-N 1 3 336.436 -0.096 20 0 EBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430035 828617785 /nfs/dbraw/zinc/61/77/85/828617785.db2.gz NCRRMSORDRTNOI-KGLIPLIRSA-N 1 3 336.436 -0.096 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129435814 828618301 /nfs/dbraw/zinc/61/83/01/828618301.db2.gz JHUOHUKJZSFBQA-ZYHUDNBSSA-N 1 3 327.429 -0.733 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001129435488 828619163 /nfs/dbraw/zinc/61/91/63/828619163.db2.gz GUEKGSQBNKMPPY-CYBMUJFWSA-N 1 3 332.470 -0.932 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129526311 828630999 /nfs/dbraw/zinc/63/09/99/828630999.db2.gz AOAJVTMCCUBUBL-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673905 824582607 /nfs/dbraw/zinc/58/26/07/824582607.db2.gz TVVUMZUIXAUSLD-PMPSAXMXSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673319 824583139 /nfs/dbraw/zinc/58/31/39/824583139.db2.gz IPAAZLSSQZEWQO-UGUYLWEFSA-N 1 3 343.468 -0.317 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001129840759 828680060 /nfs/dbraw/zinc/68/00/60/828680060.db2.gz IYXRLQFXLKJTEX-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001129840759 828680064 /nfs/dbraw/zinc/68/00/64/828680064.db2.gz IYXRLQFXLKJTEX-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849628 828681205 /nfs/dbraw/zinc/68/12/05/828681205.db2.gz NWHVDXKWJCGRNM-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849628 828681207 /nfs/dbraw/zinc/68/12/07/828681207.db2.gz NWHVDXKWJCGRNM-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001129947172 828698668 /nfs/dbraw/zinc/69/86/68/828698668.db2.gz MSQDIYOWODJXRM-ZFWWWQNUSA-N 1 3 328.457 -0.426 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950761 828699410 /nfs/dbraw/zinc/69/94/10/828699410.db2.gz ZRAVBFAXYXLSTL-STQMWFEESA-N 1 3 343.472 -0.099 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949567 828699499 /nfs/dbraw/zinc/69/94/99/828699499.db2.gz FZTTZBJVTKIQSG-AWEZNQCLSA-N 1 3 343.472 -0.240 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001129950182 828699591 /nfs/dbraw/zinc/69/95/91/828699591.db2.gz NZXQBQNEEUMOSD-HIFRSBDPSA-N 1 3 328.457 -0.474 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001129950429 828699754 /nfs/dbraw/zinc/69/97/54/828699754.db2.gz TWRNDQXDNBGLTO-HIFRSBDPSA-N 1 3 328.457 -0.569 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130047554 828721970 /nfs/dbraw/zinc/72/19/70/828721970.db2.gz GSMHBOYNVBEONO-KFWWJZLASA-N 1 3 338.456 -0.004 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179766649 833009081 /nfs/dbraw/zinc/00/90/81/833009081.db2.gz WRQULSOXEZCEGL-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001114403574 826235610 /nfs/dbraw/zinc/23/56/10/826235610.db2.gz UTDGOYWVYZIXPS-WCVJEAGWSA-N 1 3 347.463 -0.225 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001114403574 826235614 /nfs/dbraw/zinc/23/56/14/826235614.db2.gz UTDGOYWVYZIXPS-WCVJEAGWSA-N 1 3 347.463 -0.225 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001114403571 826235738 /nfs/dbraw/zinc/23/57/38/826235738.db2.gz UTDGOYWVYZIXPS-CAOSSQGBSA-N 1 3 347.463 -0.225 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001114403571 826235739 /nfs/dbraw/zinc/23/57/39/826235739.db2.gz UTDGOYWVYZIXPS-CAOSSQGBSA-N 1 3 347.463 -0.225 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114425898 826244218 /nfs/dbraw/zinc/24/42/18/826244218.db2.gz IHAMCTVSLYBHQG-AIANPOQGSA-N 1 3 349.479 -0.068 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114425898 826244220 /nfs/dbraw/zinc/24/42/20/826244220.db2.gz IHAMCTVSLYBHQG-AIANPOQGSA-N 1 3 349.479 -0.068 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179925524 833027016 /nfs/dbraw/zinc/02/70/16/833027016.db2.gz PTCQTRJEKJATHW-SRVKXCTJSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001179925524 833027029 /nfs/dbraw/zinc/02/70/29/833027029.db2.gz PTCQTRJEKJATHW-SRVKXCTJSA-N 1 3 325.413 -0.898 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131648 833045396 /nfs/dbraw/zinc/04/53/96/833045396.db2.gz JZJPCRVSOWDUSN-HOCLYGCPSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241336 826466831 /nfs/dbraw/zinc/46/68/31/826466831.db2.gz GMIQPNMEMFELAN-CAOSSQGBSA-N 1 3 338.452 -0.863 20 0 EBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241336 826466833 /nfs/dbraw/zinc/46/68/33/826466833.db2.gz GMIQPNMEMFELAN-CAOSSQGBSA-N 1 3 338.452 -0.863 20 0 EBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241339 826467014 /nfs/dbraw/zinc/46/70/14/826467014.db2.gz GMIQPNMEMFELAN-WCVJEAGWSA-N 1 3 338.452 -0.863 20 0 EBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241339 826467018 /nfs/dbraw/zinc/46/70/18/826467018.db2.gz GMIQPNMEMFELAN-WCVJEAGWSA-N 1 3 338.452 -0.863 20 0 EBADHO CC[C@@]1(O)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001117858687 826812242 /nfs/dbraw/zinc/81/22/42/826812242.db2.gz PQCSXBKQKDCGPR-MRXNPFEDSA-N 1 3 328.457 -0.688 20 0 EBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001180896296 833120287 /nfs/dbraw/zinc/12/02/87/833120287.db2.gz ZFAXQDPSSPNEMF-LBPRGKRZSA-N 1 3 327.429 -0.455 20 0 EBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118552852 826958813 /nfs/dbraw/zinc/95/88/13/826958813.db2.gz MXJYFOVCNREXAI-TVIZTDCDSA-N 1 3 336.436 -0.776 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC001119035901 827051097 /nfs/dbraw/zinc/05/10/97/827051097.db2.gz AWQANTHSAMAFNN-UHFFFAOYSA-N 1 3 349.479 -0.826 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001119065950 827054802 /nfs/dbraw/zinc/05/48/02/827054802.db2.gz FHCDKWPXHXPPDW-RHYQMDGZSA-N 1 3 348.369 -0.256 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119365652 827103018 /nfs/dbraw/zinc/10/30/18/827103018.db2.gz UNVCMKNRIHIIOD-UONOGXRCSA-N 1 3 339.484 -0.533 20 0 EBADHO CC(C)CN1CCO[C@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120473995 827230299 /nfs/dbraw/zinc/23/02/99/827230299.db2.gz BHTYYBOJKZMJSK-OAHLLOKOSA-N 1 3 327.473 -0.452 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473528 833235987 /nfs/dbraw/zinc/23/59/87/833235987.db2.gz SWDCCLBXSKEXEW-OLZOCXBDSA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473528 833235992 /nfs/dbraw/zinc/23/59/92/833235992.db2.gz SWDCCLBXSKEXEW-OLZOCXBDSA-N 1 3 339.440 -0.495 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684026 833252667 /nfs/dbraw/zinc/25/26/67/833252667.db2.gz KBBPYQMJLIRPMP-MGPQQGTHSA-N 1 3 346.497 -0.544 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182684026 833252674 /nfs/dbraw/zinc/25/26/74/833252674.db2.gz KBBPYQMJLIRPMP-MGPQQGTHSA-N 1 3 346.497 -0.544 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001124866467 827969244 /nfs/dbraw/zinc/96/92/44/827969244.db2.gz DFLFYRFSPWEEAU-PWSUYJOCSA-N 1 3 325.413 -0.837 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288149 833285461 /nfs/dbraw/zinc/28/54/61/833285461.db2.gz ALMNETVYWFKDTR-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1)N(C)C ZINC001183581127 833295489 /nfs/dbraw/zinc/29/54/89/833295489.db2.gz FAOIOZBWFGKQBA-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127067517 828246649 /nfs/dbraw/zinc/24/66/49/828246649.db2.gz ZCYIVWOUWIEHLI-CQSZACIVSA-N 1 3 328.457 -0.282 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127067517 828246659 /nfs/dbraw/zinc/24/66/59/828246659.db2.gz ZCYIVWOUWIEHLI-CQSZACIVSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001127065631 828246893 /nfs/dbraw/zinc/24/68/93/828246893.db2.gz CGYBECCVWQPXRG-CYBMUJFWSA-N 1 3 334.486 -0.544 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001127065631 828246896 /nfs/dbraw/zinc/24/68/96/828246896.db2.gz CGYBECCVWQPXRG-CYBMUJFWSA-N 1 3 334.486 -0.544 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475298 828297131 /nfs/dbraw/zinc/29/71/31/828297131.db2.gz SQBYWUMTNMZHHQ-YPMHNXCESA-N 1 3 339.440 -0.732 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127690452 828314893 /nfs/dbraw/zinc/31/48/93/828314893.db2.gz KDISJHTWUZINPB-ZYHUDNBSSA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001127690452 828314902 /nfs/dbraw/zinc/31/49/02/828314902.db2.gz KDISJHTWUZINPB-ZYHUDNBSSA-N 1 3 325.413 -0.979 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778891 828329100 /nfs/dbraw/zinc/32/91/00/828329100.db2.gz HSGVOEBHSFSGSR-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778891 828329105 /nfs/dbraw/zinc/32/91/05/828329105.db2.gz HSGVOEBHSFSGSR-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408650 833357919 /nfs/dbraw/zinc/35/79/19/833357919.db2.gz VAJUEQXSPZEVBM-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO COCCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401921 833357941 /nfs/dbraw/zinc/35/79/41/833357941.db2.gz YYGDCUISIXYIJK-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001185610150 833363038 /nfs/dbraw/zinc/36/30/38/833363038.db2.gz SECODRRPGJKURV-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001185716078 833367869 /nfs/dbraw/zinc/36/78/69/833367869.db2.gz PBXMKSHWKSMOBQ-ILXRZTDVSA-N 1 3 340.468 -0.500 20 0 EBADHO O=C(NCC[NH2+]C[C@@H]1CCc2ncnn21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521787 829153489 /nfs/dbraw/zinc/15/34/89/829153489.db2.gz HSICVQGQSAULBL-CWVKQELPSA-N 1 3 346.435 -0.666 20 0 EBADHO O=C(NCC[NH2+]CCN1CCCC1=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522074 829153995 /nfs/dbraw/zinc/15/39/95/829153995.db2.gz RPBOLXJMNQYHHN-UUCFBXCCSA-N 1 3 336.436 -0.822 20 0 EBADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131583200 829160253 /nfs/dbraw/zinc/16/02/53/829160253.db2.gz VCRLOEXZWVMBLU-PBHICJAKSA-N 1 3 340.468 -0.201 20 0 EBADHO O=C(CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)N1CCOCC1 ZINC001131790423 829218042 /nfs/dbraw/zinc/21/80/42/829218042.db2.gz NFWOCRQAMYGMCL-INIZCTEOSA-N 1 3 338.452 -0.575 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786082 829218304 /nfs/dbraw/zinc/21/83/04/829218304.db2.gz DRKRQQHWYISROJ-MRXNPFEDSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@@H](NCCNC(=O)c1ccccc1CC[NH+](C)C)C(=O)NC(N)=O ZINC001131802121 829223157 /nfs/dbraw/zinc/22/31/57/829223157.db2.gz VBLGVYRBPAGAPD-GFCCVEGCSA-N 1 3 349.435 -0.307 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186452780 833402218 /nfs/dbraw/zinc/40/22/18/833402218.db2.gz RMUBBZGYHGDDOZ-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001186459421 833402484 /nfs/dbraw/zinc/40/24/84/833402484.db2.gz VMABQZDHALLSSZ-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CN(C(C)C)CCO2)nn1 ZINC001132858697 829539384 /nfs/dbraw/zinc/53/93/84/829539384.db2.gz FYMAYMZBOXZQPX-AWEZNQCLSA-N 1 3 337.424 -0.200 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285871 829614785 /nfs/dbraw/zinc/61/47/85/829614785.db2.gz MBGPSONYDDYGGH-LBPRGKRZSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC001133281605 829614823 /nfs/dbraw/zinc/61/48/23/829614823.db2.gz DPEPXNSACBQXGS-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001186834613 833432740 /nfs/dbraw/zinc/43/27/40/833432740.db2.gz SGYIFGVPFFJJGN-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001186834613 833432744 /nfs/dbraw/zinc/43/27/44/833432744.db2.gz SGYIFGVPFFJJGN-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133834380 829681947 /nfs/dbraw/zinc/68/19/47/829681947.db2.gz VXBISGXDKHLXFV-LSDHHAIUSA-N 1 3 343.468 -0.267 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846240 829684486 /nfs/dbraw/zinc/68/44/86/829684486.db2.gz WYJUUDBTLJYNBE-CYBMUJFWSA-N 1 3 334.486 -0.637 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850148 829686379 /nfs/dbraw/zinc/68/63/79/829686379.db2.gz KEDGVKJFWDGSLN-HNNXBMFYSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850148 829686382 /nfs/dbraw/zinc/68/63/82/829686382.db2.gz KEDGVKJFWDGSLN-HNNXBMFYSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001133853043 829686510 /nfs/dbraw/zinc/68/65/10/829686510.db2.gz AYDPBGKKMLXXFI-AWEZNQCLSA-N 1 3 333.436 -0.255 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001133853043 829686515 /nfs/dbraw/zinc/68/65/15/829686515.db2.gz AYDPBGKKMLXXFI-AWEZNQCLSA-N 1 3 333.436 -0.255 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001133851023 829686957 /nfs/dbraw/zinc/68/69/57/829686957.db2.gz UZMPJKIDWZKYNY-LSDHHAIUSA-N 1 3 343.468 -0.410 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863050 829688603 /nfs/dbraw/zinc/68/86/03/829688603.db2.gz IYIAFZQLUGXWHC-WDEREUQCSA-N 1 3 338.374 -0.089 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863050 829688608 /nfs/dbraw/zinc/68/86/08/829688608.db2.gz IYIAFZQLUGXWHC-WDEREUQCSA-N 1 3 338.374 -0.089 20 0 EBADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133856858 829688690 /nfs/dbraw/zinc/68/86/90/829688690.db2.gz SUDNYFNTEFWLNX-MRXNPFEDSA-N 1 3 343.447 -0.070 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862623 829688721 /nfs/dbraw/zinc/68/87/21/829688721.db2.gz DQIKCVRMENTKAI-VXGBXAGGSA-N 1 3 341.456 -0.486 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862623 829688725 /nfs/dbraw/zinc/68/87/25/829688725.db2.gz DQIKCVRMENTKAI-VXGBXAGGSA-N 1 3 341.456 -0.486 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869128 829691516 /nfs/dbraw/zinc/69/15/16/829691516.db2.gz BIDPNCPPBUNWAF-VXGBXAGGSA-N 1 3 327.429 -0.874 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869128 829691518 /nfs/dbraw/zinc/69/15/18/829691518.db2.gz BIDPNCPPBUNWAF-VXGBXAGGSA-N 1 3 327.429 -0.874 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896731 829695441 /nfs/dbraw/zinc/69/54/41/829695441.db2.gz QRAYRJJSOISUGW-UHFFFAOYSA-N 1 3 348.513 -0.294 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095940 829898343 /nfs/dbraw/zinc/89/83/43/829898343.db2.gz XEWNWJLZRORAIX-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)S(C)(=O)=O ZINC001135095940 829898346 /nfs/dbraw/zinc/89/83/46/829898346.db2.gz XEWNWJLZRORAIX-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CN1CCC[C@@H](NCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118702 829899849 /nfs/dbraw/zinc/89/98/49/829899849.db2.gz QAKAABZSQOMJQA-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118716 829900497 /nfs/dbraw/zinc/90/04/97/829900497.db2.gz QNBLYAVOPSOBHE-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO C[NH+](C)Cc1ccc(C(=O)NCCNCCNS(C)(=O)=O)cc1 ZINC001135337303 829948063 /nfs/dbraw/zinc/94/80/63/829948063.db2.gz ZLIMJOCSWSFISY-UHFFFAOYSA-N 1 3 342.465 -0.383 20 0 EBADHO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135512901 829979816 /nfs/dbraw/zinc/97/98/16/829979816.db2.gz BDBAXPMAXBCKSF-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963296 830053020 /nfs/dbraw/zinc/05/30/20/830053020.db2.gz FPIOSKOSAIPEJK-UHFFFAOYSA-N 1 3 328.457 -0.425 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978959 830056683 /nfs/dbraw/zinc/05/66/83/830056683.db2.gz AACNVEYGQATGRI-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001211285022 837421428 /nfs/dbraw/zinc/42/14/28/837421428.db2.gz PBNKLTWSVXNFKY-ZDUSSCGKSA-N 1 3 339.440 -0.541 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824381 830416334 /nfs/dbraw/zinc/41/63/34/830416334.db2.gz JDPMELNTYWMUEY-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001147826619 830416581 /nfs/dbraw/zinc/41/65/81/830416581.db2.gz YYMNVGBZZLMVNG-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825064 830416943 /nfs/dbraw/zinc/41/69/43/830416943.db2.gz NPRXBTZCVXFPAK-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1CCCC[C@H]1NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893965 830427039 /nfs/dbraw/zinc/42/70/39/830427039.db2.gz WEGLXNOKNQXVFU-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147899855 830428333 /nfs/dbraw/zinc/42/83/33/830428333.db2.gz APKLSRWCMJXJFE-OAHLLOKOSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147899855 830428335 /nfs/dbraw/zinc/42/83/35/830428335.db2.gz APKLSRWCMJXJFE-OAHLLOKOSA-N 1 3 342.484 -0.035 20 0 EBADHO CN(CC(F)(F)F)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994608 830434903 /nfs/dbraw/zinc/43/49/03/830434903.db2.gz LVXTZLHRUOPKMS-UHFFFAOYSA-N 1 3 336.358 -0.191 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999815 830437029 /nfs/dbraw/zinc/43/70/29/830437029.db2.gz DTGBSGCDNNHKBJ-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291691 830465737 /nfs/dbraw/zinc/46/57/37/830465737.db2.gz BBOUMYDENRDYQY-CABCVRRESA-N 1 3 325.453 -0.273 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291691 830465739 /nfs/dbraw/zinc/46/57/39/830465739.db2.gz BBOUMYDENRDYQY-CABCVRRESA-N 1 3 325.453 -0.273 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292754 830466164 /nfs/dbraw/zinc/46/61/64/830466164.db2.gz SDFAVDLFZYYOST-HUUCEWRRSA-N 1 3 325.453 -0.130 20 0 EBADHO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292754 830466168 /nfs/dbraw/zinc/46/61/68/830466168.db2.gz SDFAVDLFZYYOST-HUUCEWRRSA-N 1 3 325.453 -0.130 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCCCOC ZINC001148578462 830512659 /nfs/dbraw/zinc/51/26/59/830512659.db2.gz UFXJXYSJYJROFP-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCCCOC ZINC001148578462 830512667 /nfs/dbraw/zinc/51/26/67/830512667.db2.gz UFXJXYSJYJROFP-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001148655071 830524890 /nfs/dbraw/zinc/52/48/90/830524890.db2.gz HKFSLDKMNQNQTP-AWEZNQCLSA-N 1 3 331.457 -0.410 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001148656258 830525035 /nfs/dbraw/zinc/52/50/35/830525035.db2.gz YKLYNYSVFSZYKY-ZDUSSCGKSA-N 1 3 343.472 -0.096 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066353 831021347 /nfs/dbraw/zinc/02/13/47/831021347.db2.gz TWXMXHILKJHUCD-AWEZNQCLSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066353 831021353 /nfs/dbraw/zinc/02/13/53/831021353.db2.gz TWXMXHILKJHUCD-AWEZNQCLSA-N 1 3 328.457 -0.425 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152146381 831133761 /nfs/dbraw/zinc/13/37/61/831133761.db2.gz JCJOVCRRZCYMSC-CHWSQXEVSA-N 1 3 334.486 -0.496 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152138737 831134255 /nfs/dbraw/zinc/13/42/55/831134255.db2.gz YFHBQJPPLRALOJ-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001152149152 831135178 /nfs/dbraw/zinc/13/51/78/831135178.db2.gz VMZATAGKOWZWAD-TXEJJXNPSA-N 1 3 339.440 -0.447 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001152149152 831135184 /nfs/dbraw/zinc/13/51/84/831135184.db2.gz VMZATAGKOWZWAD-TXEJJXNPSA-N 1 3 339.440 -0.447 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001152222837 831143966 /nfs/dbraw/zinc/14/39/66/831143966.db2.gz CVBFITYXVIOCHW-HNNXBMFYSA-N 1 3 340.468 -0.137 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC(=O)NC1CC1 ZINC001152340719 831153948 /nfs/dbraw/zinc/15/39/48/831153948.db2.gz VWEBWPOJFUPBIN-UHFFFAOYSA-N 1 3 339.440 -0.444 20 0 EBADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001152393584 831158701 /nfs/dbraw/zinc/15/87/01/831158701.db2.gz PZXCNHZYQKOZHN-AWEZNQCLSA-N 1 3 332.404 -0.127 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152470932 831165372 /nfs/dbraw/zinc/16/53/72/831165372.db2.gz GCWHZBZCISXWHF-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO [NH3+]CCCC[C@H](NC(=O)c1[nH]nc2c1CCNC2)C(=O)N1CCCC1 ZINC001157399885 831564455 /nfs/dbraw/zinc/56/44/55/831564455.db2.gz ZAOTVEIIBMRXGV-ZDUSSCGKSA-N 1 3 348.451 -0.095 20 0 EBADHO O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157497048 831571733 /nfs/dbraw/zinc/57/17/33/831571733.db2.gz NXQQMRZZYXRWMA-JKIFEVAISA-N 1 3 336.436 -0.965 20 0 EBADHO N[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C[C@H]1F ZINC001157532680 831577145 /nfs/dbraw/zinc/57/71/45/831577145.db2.gz XIULGBFTGICLSY-AGIUHOORSA-N 1 3 337.399 -0.183 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)COC1(C)C ZINC001157756320 831590756 /nfs/dbraw/zinc/59/07/56/831590756.db2.gz XCJFDAWPNVIDQW-MKBNYLNASA-N 1 3 344.431 -0.023 20 0 EBADHO O=C(N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1)C(F)(F)F ZINC001157970537 831614406 /nfs/dbraw/zinc/61/44/06/831614406.db2.gz UOQYMZBVEGGTSO-ZWNOBZJWSA-N 1 3 334.342 -0.581 20 0 EBADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001158083175 831626069 /nfs/dbraw/zinc/62/60/69/831626069.db2.gz XWQIGZPKTJNYJG-GFCCVEGCSA-N 1 3 327.450 -0.507 20 0 EBADHO COc1ccc([C@@H](N)CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cn1 ZINC001158093038 831626966 /nfs/dbraw/zinc/62/69/66/831626966.db2.gz QYOKELYCMGZLKP-LRDDRELGSA-N 1 3 333.392 -0.829 20 0 EBADHO N[C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1Cc2ccccc2C1 ZINC001158094050 831627012 /nfs/dbraw/zinc/62/70/12/831627012.db2.gz ZYONJFSQZGCGAL-FUHWJXTLSA-N 1 3 328.416 -0.581 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158180347 831637150 /nfs/dbraw/zinc/63/71/50/831637150.db2.gz YNAKICHHZXHYCR-HZSPNIEDSA-N 1 3 326.400 -0.010 20 0 EBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001158499188 831660627 /nfs/dbraw/zinc/66/06/27/831660627.db2.gz YEYLYKJHNULCLN-QEWUEQLNSA-N 1 3 339.436 -0.383 20 0 EBADHO O=C([C@@H]1C[NH2+]CCN1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159560750 831761920 /nfs/dbraw/zinc/76/19/20/831761920.db2.gz NGGSALUCKOIVDU-HNNXBMFYSA-N 1 3 332.452 -0.181 20 0 EBADHO C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159607987 831765289 /nfs/dbraw/zinc/76/52/89/831765289.db2.gz DTLWZYHMYOMVIU-DGCLKSJQSA-N 1 3 348.451 -0.015 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159770795 831781360 /nfs/dbraw/zinc/78/13/60/831781360.db2.gz VTEIFNSIRBOQCN-YJNKXOJESA-N 1 3 338.452 -0.273 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCC1 ZINC001159861079 831789069 /nfs/dbraw/zinc/78/90/69/831789069.db2.gz KWSBMVORYZFYIX-AWEZNQCLSA-N 1 3 340.468 -0.281 20 0 EBADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001159863464 831789643 /nfs/dbraw/zinc/78/96/43/831789643.db2.gz UOFGLZAQJZSTFY-QWQRMKEZSA-N 1 3 334.464 -0.098 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914203 831796829 /nfs/dbraw/zinc/79/68/29/831796829.db2.gz BLRJYQBKJKDBAI-ZDUSSCGKSA-N 1 3 327.429 -0.732 20 0 EBADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1C(=O)CN ZINC001159929539 831797833 /nfs/dbraw/zinc/79/78/33/831797833.db2.gz HDMKMEJJKPGYKX-ZNMIVQPWSA-N 1 3 337.468 -0.827 20 0 EBADHO COC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159929301 831798223 /nfs/dbraw/zinc/79/82/23/831798223.db2.gz BGSZCQQTXRDFRV-MELADBBJSA-N 1 3 326.441 -0.496 20 0 EBADHO COC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159929301 831798227 /nfs/dbraw/zinc/79/82/27/831798227.db2.gz BGSZCQQTXRDFRV-MELADBBJSA-N 1 3 326.441 -0.496 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001159932972 831799766 /nfs/dbraw/zinc/79/97/66/831799766.db2.gz XEXNZNOMHRFRCB-AWEZNQCLSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)CN(C)C2CCC2)CCO1 ZINC001160003260 831804029 /nfs/dbraw/zinc/80/40/29/831804029.db2.gz GBUHAXUUQXOFIH-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)[C@H]2C1 ZINC001159998811 831804103 /nfs/dbraw/zinc/80/41/03/831804103.db2.gz MEHMNOKRADAVGR-RDBSUJKOSA-N 1 3 344.481 -0.804 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997340 831804344 /nfs/dbraw/zinc/80/43/44/831804344.db2.gz MKTPAUXHQPLJFL-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CN(CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001159997648 831804503 /nfs/dbraw/zinc/80/45/03/831804503.db2.gz WKFKAMXQLBBUFT-HNNXBMFYSA-N 1 3 340.468 -0.450 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCC12COC2 ZINC001160541616 831861522 /nfs/dbraw/zinc/86/15/22/831861522.db2.gz DVWJZQIMMMYYRC-KBPBESRZSA-N 1 3 338.452 -0.175 20 0 EBADHO COC(=O)C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160595781 831868846 /nfs/dbraw/zinc/86/88/46/831868846.db2.gz ILPAXYVRGIWTQI-QWHCGFSZSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)C[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160595781 831868853 /nfs/dbraw/zinc/86/88/53/831868853.db2.gz ILPAXYVRGIWTQI-QWHCGFSZSA-N 1 3 325.409 -0.349 20 0 EBADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643645 831874228 /nfs/dbraw/zinc/87/42/28/831874228.db2.gz LGJHIEUAQUIFFE-KBPBESRZSA-N 1 3 349.435 -0.505 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H](F)CCN3)C[C@H]1C2 ZINC001160792152 831887862 /nfs/dbraw/zinc/88/78/62/831887862.db2.gz QWOVSFOHNZHPGW-LZQHRPSPSA-N 1 3 339.411 -0.066 20 0 EBADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160823746 831892149 /nfs/dbraw/zinc/89/21/49/831892149.db2.gz ISLDZXYPPWAIPG-JTQLQIEISA-N 1 3 334.376 -0.455 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160882960 831902716 /nfs/dbraw/zinc/90/27/16/831902716.db2.gz CITFMOGFQKVYQI-VXGBXAGGSA-N 1 3 329.445 -0.343 20 0 EBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001160901219 831904767 /nfs/dbraw/zinc/90/47/67/831904767.db2.gz BHEPTAAUSAGVEC-VIFPVBQESA-N 1 3 327.410 -0.969 20 0 EBADHO N[C@H](C(=O)N1CCN(C(=O)c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC001160937117 831908178 /nfs/dbraw/zinc/90/81/78/831908178.db2.gz SSIFDTBNMKCANL-HNNXBMFYSA-N 1 3 331.420 -0.307 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)COC1(C)C ZINC001160965743 831911119 /nfs/dbraw/zinc/91/11/19/831911119.db2.gz XJHNXMVMFPJRFF-PFHKOEEOSA-N 1 3 338.452 -0.293 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001161226420 831938372 /nfs/dbraw/zinc/93/83/72/831938372.db2.gz HGLVCZMZMWMUCF-UHFFFAOYSA-N 1 3 330.473 -0.035 20 0 EBADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001161239242 831939841 /nfs/dbraw/zinc/93/98/41/831939841.db2.gz YIYYPRSMZXPKRW-UONOGXRCSA-N 1 3 328.457 -0.202 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378328 831951918 /nfs/dbraw/zinc/95/19/18/831951918.db2.gz MGPHQMBDQGLHAR-GJZGRUSLSA-N 1 3 339.484 -0.500 20 0 EBADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161374170 831951978 /nfs/dbraw/zinc/95/19/78/831951978.db2.gz UGAOHDCCFRBFPT-IUODEOHRSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161374170 831951982 /nfs/dbraw/zinc/95/19/82/831951982.db2.gz UGAOHDCCFRBFPT-IUODEOHRSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)CC[C@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161567252 831973214 /nfs/dbraw/zinc/97/32/14/831973214.db2.gz VEUKOQZROOJEHV-DVOMOZLQSA-N 1 3 325.409 -0.634 20 0 EBADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872510 832068178 /nfs/dbraw/zinc/06/81/78/832068178.db2.gz UWTVOIQXSZBDHF-GNHJJJEISA-N 1 3 333.436 -0.121 20 0 EBADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001162872510 832068182 /nfs/dbraw/zinc/06/81/82/832068182.db2.gz UWTVOIQXSZBDHF-GNHJJJEISA-N 1 3 333.436 -0.121 20 0 EBADHO COCCOCC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872523 832068262 /nfs/dbraw/zinc/06/82/62/832068262.db2.gz UZAOERQXZWKJTJ-ISXOHVOVSA-N 1 3 341.452 -0.392 20 0 EBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872340 832069179 /nfs/dbraw/zinc/06/91/79/832069179.db2.gz OOZVZYKDFUAEMF-UUCFBXCCSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166627632 832274771 /nfs/dbraw/zinc/27/47/71/832274771.db2.gz XWVHOPBHFAISBD-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634929 832276237 /nfs/dbraw/zinc/27/62/37/832276237.db2.gz YTCOGPNKUKLFET-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001166677321 832279414 /nfs/dbraw/zinc/27/94/14/832279414.db2.gz HRCCRSVUKQBNRV-CYBMUJFWSA-N 1 3 334.486 -0.685 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166865181 832294445 /nfs/dbraw/zinc/29/44/45/832294445.db2.gz CITFMOGFQKVYQI-RYUDHWBXSA-N 1 3 329.445 -0.343 20 0 EBADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001167250881 832321132 /nfs/dbraw/zinc/32/11/32/832321132.db2.gz KTOFOBYXCYELFQ-RYUDHWBXSA-N 1 3 341.456 -0.214 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC001352730755 832361836 /nfs/dbraw/zinc/36/18/36/832361836.db2.gz RGAVBDWGTNASIQ-MGPQQGTHSA-N 1 3 328.457 -0.380 20 0 EBADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001168345290 832415694 /nfs/dbraw/zinc/41/56/94/832415694.db2.gz NYAOOFVLQMVBMX-GFCCVEGCSA-N 1 3 341.456 -0.214 20 0 EBADHO CNC(=O)CN1CCO[C@H]2C[N@@H+](C3CCN(CC4CC4)CC3)C[C@H]21 ZINC001168378590 832417476 /nfs/dbraw/zinc/41/74/76/832417476.db2.gz XONSJIWGEZRZKC-SJORKVTESA-N 1 3 336.480 -0.008 20 0 EBADHO CNC(=O)CN1CCO[C@H]2C[N@H+](C3CCN(CC4CC4)CC3)C[C@H]21 ZINC001168378590 832417480 /nfs/dbraw/zinc/41/74/80/832417480.db2.gz XONSJIWGEZRZKC-SJORKVTESA-N 1 3 336.480 -0.008 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001168755596 832434170 /nfs/dbraw/zinc/43/41/70/832434170.db2.gz ODLCCXFEBWMELR-CQSZACIVSA-N 1 3 348.513 -0.294 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001171762361 832574648 /nfs/dbraw/zinc/57/46/48/832574648.db2.gz AYVSMOZLELCDOE-CABCVRRESA-N 1 3 333.473 -0.164 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001171770082 832576017 /nfs/dbraw/zinc/57/60/17/832576017.db2.gz LXANMXMZFWATLF-OAHLLOKOSA-N 1 3 345.484 -0.019 20 0 EBADHO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001171873666 832577181 /nfs/dbraw/zinc/57/71/81/832577181.db2.gz TULJWTVQJKBILL-SMOJQAGNSA-N 1 3 338.452 -0.401 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001176986135 832725829 /nfs/dbraw/zinc/72/58/29/832725829.db2.gz FVFGEJBGFTWMPN-LBPRGKRZSA-N 1 3 341.456 -0.201 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178361276 832852891 /nfs/dbraw/zinc/85/28/91/832852891.db2.gz XFZWKXKMTZERHH-IHRRRGAJSA-N 1 3 346.497 -0.401 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)CCC[NH+](C)C ZINC001179435068 832978151 /nfs/dbraw/zinc/97/81/51/832978151.db2.gz HZYVREYMYAJCRW-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472775 832982241 /nfs/dbraw/zinc/98/22/41/832982241.db2.gz XRAAYTQMMAIINP-AGIUHOORSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)CN[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561088 832988909 /nfs/dbraw/zinc/98/89/09/832988909.db2.gz AFGONRQTACQELI-KKUMJFAQSA-N 1 3 340.468 -0.188 20 0 EBADHO CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106291 833900896 /nfs/dbraw/zinc/90/08/96/833900896.db2.gz DPBIGFJBCPRDHO-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188118072 834007937 /nfs/dbraw/zinc/00/79/37/834007937.db2.gz FWPJTNJNOOLGSC-CYBMUJFWSA-N 1 3 339.440 -0.492 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158195 834016901 /nfs/dbraw/zinc/01/69/01/834016901.db2.gz GPRXPEJNOHOPBS-HUUCEWRRSA-N 1 3 331.457 -0.459 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001188158036 834016997 /nfs/dbraw/zinc/01/69/97/834016997.db2.gz DUXNXMZNDJWSKN-GFCCVEGCSA-N 1 3 325.413 -0.931 20 0 EBADHO CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389752 834150559 /nfs/dbraw/zinc/15/05/59/834150559.db2.gz LDTRFHLYHXTVIO-HOTGVXAUSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(=O)NCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389752 834150563 /nfs/dbraw/zinc/15/05/63/834150563.db2.gz LDTRFHLYHXTVIO-HOTGVXAUSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189659583 834177597 /nfs/dbraw/zinc/17/75/97/834177597.db2.gz DIYOUIRSNAKXJN-MELADBBJSA-N 1 3 336.436 -0.334 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189659583 834177600 /nfs/dbraw/zinc/17/76/00/834177600.db2.gz DIYOUIRSNAKXJN-MELADBBJSA-N 1 3 336.436 -0.334 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC001193290003 834826309 /nfs/dbraw/zinc/82/63/09/834826309.db2.gz CBQQECZGZRTFSM-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC001193290003 834826315 /nfs/dbraw/zinc/82/63/15/834826315.db2.gz CBQQECZGZRTFSM-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787883 835861277 /nfs/dbraw/zinc/86/12/77/835861277.db2.gz GURMGHWGBHHGGN-WCQYABFASA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200687771 836014484 /nfs/dbraw/zinc/01/44/84/836014484.db2.gz HDQLMQGZABAWNI-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1)C(N)=O ZINC001200704837 836020294 /nfs/dbraw/zinc/02/02/94/836020294.db2.gz PYJMPDCCCQTMJF-OCCSQVGLSA-N 1 3 326.441 -0.448 20 0 EBADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200795417 836035185 /nfs/dbraw/zinc/03/51/85/836035185.db2.gz JLWZJGIIRMFOLZ-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001200795440 836035304 /nfs/dbraw/zinc/03/53/04/836035304.db2.gz KBLLNNBGAAPXBV-RBSFLKMASA-N 1 3 331.457 -0.459 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001200851333 836047981 /nfs/dbraw/zinc/04/79/81/836047981.db2.gz NRRNYQFBZIESTP-HNNXBMFYSA-N 1 3 345.484 -0.067 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)C1CC1 ZINC001201052004 836084504 /nfs/dbraw/zinc/08/45/04/836084504.db2.gz CKJGAISHVNXLID-AWEZNQCLSA-N 1 3 346.497 -0.544 20 0 EBADHO NC(=O)CNC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062120 836085550 /nfs/dbraw/zinc/08/55/50/836085550.db2.gz IDWMOHBYTJVVIB-ZBFHGGJFSA-N 1 3 338.452 -0.447 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(=O)NC(N)=O ZINC001201053871 836085617 /nfs/dbraw/zinc/08/56/17/836085617.db2.gz ZVKJZEUIPMOVIX-GXFFZTMASA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)C(=O)NC(N)=O ZINC001201066110 836087676 /nfs/dbraw/zinc/08/76/76/836087676.db2.gz FTLSMAPNUIBCNV-LLVKDONJSA-N 1 3 339.440 -0.365 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1)N(C)C ZINC001201239003 836115678 /nfs/dbraw/zinc/11/56/78/836115678.db2.gz GCTQREVFKNXPHC-CQSZACIVSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[C@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201277805 836122186 /nfs/dbraw/zinc/12/21/86/836122186.db2.gz XWRPHKFPHPXFRF-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001201335337 836131310 /nfs/dbraw/zinc/13/13/10/836131310.db2.gz NCUMQKMMIUKJKQ-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001201404827 836141288 /nfs/dbraw/zinc/14/12/88/836141288.db2.gz XMNDCDVKOCGEIS-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001201567812 836161063 /nfs/dbraw/zinc/16/10/63/836161063.db2.gz BTOYTFNJMPRECB-AWEZNQCLSA-N 1 3 326.441 -0.589 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201679073 836174491 /nfs/dbraw/zinc/17/44/91/836174491.db2.gz RXANOVOVXQBUJJ-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201678514 836174811 /nfs/dbraw/zinc/17/48/11/836174811.db2.gz KWFRNVYRBQEKDL-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201801396 836194829 /nfs/dbraw/zinc/19/48/29/836194829.db2.gz XWCXYXQROAJPTK-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201801396 836194834 /nfs/dbraw/zinc/19/48/34/836194834.db2.gz XWCXYXQROAJPTK-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201908959 836213853 /nfs/dbraw/zinc/21/38/53/836213853.db2.gz SFNXVZNFDYCGOS-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001201932505 836217835 /nfs/dbraw/zinc/21/78/35/836217835.db2.gz ZRUUQDFPGAPZKF-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201931625 836218392 /nfs/dbraw/zinc/21/83/92/836218392.db2.gz MSFPDWBSFOZHBR-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO NC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202086229 836251528 /nfs/dbraw/zinc/25/15/28/836251528.db2.gz BXXMMRHIPBHIKO-OAHLLOKOSA-N 1 3 340.468 -0.055 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001202148265 836262990 /nfs/dbraw/zinc/26/29/90/836262990.db2.gz SRQGCRVFHUKITL-ZBFHGGJFSA-N 1 3 340.468 -0.201 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162904 836263836 /nfs/dbraw/zinc/26/38/36/836263836.db2.gz BKNGEIGXACRLOM-HUUCEWRRSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H](O)COCCOC)CC1)N(C)C ZINC001202531541 836311107 /nfs/dbraw/zinc/31/11/07/836311107.db2.gz JALFGVUSDMGFPU-CVEARBPZSA-N 1 3 345.484 -0.069 20 0 EBADHO COCCCNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667688 836333936 /nfs/dbraw/zinc/33/39/36/836333936.db2.gz LMAHJCBLGASYSV-UHFFFAOYSA-N 1 3 337.424 -0.315 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NC[C@@H]1CCOC1 ZINC001202673095 836334701 /nfs/dbraw/zinc/33/47/01/836334701.db2.gz FTCSIWXLPHHURC-ZDUSSCGKSA-N 1 3 349.435 -0.315 20 0 EBADHO COCCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705308 836464304 /nfs/dbraw/zinc/46/43/04/836464304.db2.gz SKNHVDUKMRMCHG-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203904423 836486676 /nfs/dbraw/zinc/48/66/76/836486676.db2.gz WFHAYIKLLXHSHC-ZDUSSCGKSA-N 1 3 339.440 -0.364 20 0 EBADHO COC(CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)OC ZINC001207249135 836766860 /nfs/dbraw/zinc/76/68/60/836766860.db2.gz KTQGZSXHGHKINC-UHFFFAOYSA-N 1 3 342.484 -0.225 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207683644 836843123 /nfs/dbraw/zinc/84/31/23/836843123.db2.gz FVFXVIDJCKBAFC-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687669 836845418 /nfs/dbraw/zinc/84/54/18/836845418.db2.gz ICXKHPRFVKAQST-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334513 836999033 /nfs/dbraw/zinc/99/90/33/836999033.db2.gz JFSRDDLUPWABJL-TZMCWYRMSA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334511 837000202 /nfs/dbraw/zinc/00/02/02/837000202.db2.gz JFSRDDLUPWABJL-JSGCOSHPSA-N 1 3 339.440 -0.637 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001208453619 837044812 /nfs/dbraw/zinc/04/48/12/837044812.db2.gz LGUIKXUHGSNEKA-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001208453619 837044821 /nfs/dbraw/zinc/04/48/21/837044821.db2.gz LGUIKXUHGSNEKA-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494039 837065046 /nfs/dbraw/zinc/06/50/46/837065046.db2.gz CBHARPGOAAAYNM-RBSFLKMASA-N 1 3 331.457 -0.602 20 0 EBADHO CC(C)(C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001208919895 837121204 /nfs/dbraw/zinc/12/12/04/837121204.db2.gz XIHAUBFVCWNCCA-GFCCVEGCSA-N 1 3 339.440 -0.364 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324982 837156026 /nfs/dbraw/zinc/15/60/26/837156026.db2.gz VMMRDGIAVYJERP-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001209615104 837181810 /nfs/dbraw/zinc/18/18/10/837181810.db2.gz SEFYGRNZWMNXTK-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001209835506 837203080 /nfs/dbraw/zinc/20/30/80/837203080.db2.gz CFTVDRGUPYMYRM-LBPRGKRZSA-N 1 3 348.407 -0.525 20 0 EBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836353 837204188 /nfs/dbraw/zinc/20/41/88/837204188.db2.gz LKFNNRBXEHEWAP-GDBMZVCRSA-N 1 3 343.468 -0.457 20 0 EBADHO CS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836837 837205644 /nfs/dbraw/zinc/20/56/44/837205644.db2.gz NZQBYKZESMXHTE-GFCCVEGCSA-N 1 3 328.438 -0.033 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001209837261 837205827 /nfs/dbraw/zinc/20/58/27/837205827.db2.gz ORIOYKREQBTRHB-HIFRSBDPSA-N 1 3 332.408 -0.210 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001210492874 837289402 /nfs/dbraw/zinc/28/94/02/837289402.db2.gz FFSMOCRVZRUQID-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001210492874 837289412 /nfs/dbraw/zinc/28/94/12/837289412.db2.gz FFSMOCRVZRUQID-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210493018 837290432 /nfs/dbraw/zinc/29/04/32/837290432.db2.gz HOYIWTSGBYEJIT-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210493018 837290441 /nfs/dbraw/zinc/29/04/41/837290441.db2.gz HOYIWTSGBYEJIT-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674575 837316971 /nfs/dbraw/zinc/31/69/71/837316971.db2.gz ZNWANJAHHCBXTH-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674575 837316981 /nfs/dbraw/zinc/31/69/81/837316981.db2.gz ZNWANJAHHCBXTH-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H](N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685315 837320329 /nfs/dbraw/zinc/32/03/29/837320329.db2.gz SPYNHWANFZVWKO-NWDGAFQWSA-N 1 3 337.424 -0.754 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064842 837378939 /nfs/dbraw/zinc/37/89/39/837378939.db2.gz RCNFLANTNPLYJA-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064842 837378953 /nfs/dbraw/zinc/37/89/53/837378953.db2.gz RCNFLANTNPLYJA-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)Cc1c[nH]cn1 ZINC001319536943 838146253 /nfs/dbraw/zinc/14/62/53/838146253.db2.gz ATUSJAAIGUZVKL-NSHDSACASA-N 1 3 336.396 -0.669 20 0 EBADHO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)C2(N(C)C)CCC2)n1 ZINC001320236027 838720252 /nfs/dbraw/zinc/72/02/52/838720252.db2.gz UVDRVOUGJUSLIJ-AWEZNQCLSA-N 1 3 338.456 -0.554 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CNCCS(C)(=O)=O)CC1 ZINC001320292101 838746142 /nfs/dbraw/zinc/74/61/42/838746142.db2.gz IPEDIMLPMLEKDH-AWEZNQCLSA-N 1 3 349.497 -0.782 20 0 EBADHO CN(CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCCN1C)S(C)(=O)=O ZINC001321121116 838911724 /nfs/dbraw/zinc/91/17/24/838911724.db2.gz QNANRHAEQDDPIX-GEXIGZQTSA-N 1 3 346.497 -0.376 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001322796782 839266721 /nfs/dbraw/zinc/26/67/21/839266721.db2.gz QNYKJLJZANJMOG-ZDUSSCGKSA-N 1 3 329.445 -0.534 20 0 EBADHO Cc1nccn1CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322942443 839302478 /nfs/dbraw/zinc/30/24/78/839302478.db2.gz MQTCPSPXVNYUNP-CQSZACIVSA-N 1 3 336.440 -0.940 20 0 EBADHO Cc1nccn1CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001322942443 839302487 /nfs/dbraw/zinc/30/24/87/839302487.db2.gz MQTCPSPXVNYUNP-CQSZACIVSA-N 1 3 336.440 -0.940 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2cccc(C(N)=O)c2)C1 ZINC001326146340 840047464 /nfs/dbraw/zinc/04/74/64/840047464.db2.gz KEFLKLYUJULKDX-MRXNPFEDSA-N 1 3 348.447 -0.352 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2cccc(C(N)=O)c2)C1 ZINC001326146340 840047468 /nfs/dbraw/zinc/04/74/68/840047468.db2.gz KEFLKLYUJULKDX-MRXNPFEDSA-N 1 3 348.447 -0.352 20 0 EBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC001326182064 840058259 /nfs/dbraw/zinc/05/82/59/840058259.db2.gz DGNQVYHXLJGSCN-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001326291281 840082399 /nfs/dbraw/zinc/08/23/99/840082399.db2.gz ZVFPAGGOSNUSDU-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001326291280 840082471 /nfs/dbraw/zinc/08/24/71/840082471.db2.gz ZVFPAGGOSNUSDU-GFCCVEGCSA-N 1 3 339.440 -0.506 20 0 EBADHO CN(CCCN(C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001327276499 840348309 /nfs/dbraw/zinc/34/83/09/840348309.db2.gz COMIVOHLWDBHLH-UONOGXRCSA-N 1 3 338.452 -0.086 20 0 EBADHO CN(CCCN(C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001327276499 840348318 /nfs/dbraw/zinc/34/83/18/840348318.db2.gz COMIVOHLWDBHLH-UONOGXRCSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)C1O ZINC001327291056 840353507 /nfs/dbraw/zinc/35/35/07/840353507.db2.gz QEEDMALMVZFKPL-KBPBESRZSA-N 1 3 342.484 -0.587 20 0 EBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001327515244 840441484 /nfs/dbraw/zinc/44/14/84/840441484.db2.gz LCTBNQTYNHOSPT-HIFRSBDPSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001327515246 840441904 /nfs/dbraw/zinc/44/19/04/840441904.db2.gz LCTBNQTYNHOSPT-UKRRQHHQSA-N 1 3 338.452 -0.386 20 0 EBADHO CCOC(=O)[C@@H](N)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001327569318 840458161 /nfs/dbraw/zinc/45/81/61/840458161.db2.gz GYDWPNNLJIWJFG-AWEZNQCLSA-N 1 3 326.441 -0.448 20 0 EBADHO COCCCN1CCC([NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC001327977579 840562733 /nfs/dbraw/zinc/56/27/33/840562733.db2.gz HZCQWTQOHUFGPH-KRWDZBQOSA-N 1 3 328.501 -0.315 20 0 EBADHO CNC(=O)[C@H](C)NCC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001328208322 840620948 /nfs/dbraw/zinc/62/09/48/840620948.db2.gz YMXNXSQRQKQBRV-AWEZNQCLSA-N 1 3 342.484 -0.204 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001329450299 840924784 /nfs/dbraw/zinc/92/47/84/840924784.db2.gz YMFPGWBCOWIMPD-CABCVRRESA-N 1 3 340.468 -0.424 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC001329455710 840925290 /nfs/dbraw/zinc/92/52/90/840925290.db2.gz LGTVKUOZLIRNGN-UHFFFAOYSA-N 1 3 340.468 -0.055 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC001329504955 840942197 /nfs/dbraw/zinc/94/21/97/840942197.db2.gz RAXXSKXJAUMZFO-AWEZNQCLSA-N 1 3 337.468 -0.955 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001329841131 841037137 /nfs/dbraw/zinc/03/71/37/841037137.db2.gz BWOKUFPGIGRWOA-OCCSQVGLSA-N 1 3 326.441 -0.530 20 0 EBADHO C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCCNCC3)cn2)CC1 ZINC001329937356 841067343 /nfs/dbraw/zinc/06/73/43/841067343.db2.gz JGZVKOSFBPRHAF-UHFFFAOYSA-N 1 3 334.424 -0.090 20 0 EBADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330528190 841229284 /nfs/dbraw/zinc/22/92/84/841229284.db2.gz KEBPEBZGAMSRAA-HIFRSBDPSA-N 1 3 338.452 -0.528 20 0 EBADHO CCN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC001331167346 841361725 /nfs/dbraw/zinc/36/17/25/841361725.db2.gz GFGQOMSJXZAIOG-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC001331169532 841363438 /nfs/dbraw/zinc/36/34/38/841363438.db2.gz WITIRNMRJLEBHJ-ZIAGYGMSSA-N 1 3 339.484 -0.485 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC001331233637 841376098 /nfs/dbraw/zinc/37/60/98/841376098.db2.gz PETGVEUQTXZINV-UHFFFAOYSA-N 1 3 339.484 -0.532 20 0 EBADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001331512295 841419620 /nfs/dbraw/zinc/41/96/20/841419620.db2.gz BXAXJAYRLROQSJ-BARDWOONSA-N 1 3 342.484 -0.134 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001332303246 841610290 /nfs/dbraw/zinc/61/02/90/841610290.db2.gz SNBUNQOQCOPNDL-KFWWJZLASA-N 1 3 339.484 -0.628 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332303735 841610303 /nfs/dbraw/zinc/61/03/03/841610303.db2.gz UZPWCVOVCHEUDS-KKUMJFAQSA-N 1 3 339.484 -0.770 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001332303178 841610497 /nfs/dbraw/zinc/61/04/97/841610497.db2.gz DUFIJWJGOPDUDE-OAHLLOKOSA-N 1 3 339.484 -0.676 20 0 EBADHO CCC1([NH3+])CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)CC1 ZINC001333909694 841963931 /nfs/dbraw/zinc/96/39/31/841963931.db2.gz MZRKQBPJJNQTHE-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCOCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001335604745 842314354 /nfs/dbraw/zinc/31/43/54/842314354.db2.gz LFMVJVLYUYFBIV-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001335604745 842314359 /nfs/dbraw/zinc/31/43/59/842314359.db2.gz LFMVJVLYUYFBIV-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO O=C(NCCCCCN1CC[NH2+]CC1)NCCN1CC[C@@H](O)C1 ZINC001336194428 842413907 /nfs/dbraw/zinc/41/39/07/842413907.db2.gz VWJIBSGEKOXMMW-OAHLLOKOSA-N 1 3 327.473 -0.572 20 0 EBADHO CCN(CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001341516737 843094960 /nfs/dbraw/zinc/09/49/60/843094960.db2.gz TZGXHABSRRUCQV-MGPQQGTHSA-N 1 3 331.482 -0.143 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001691166258 1125840099 /nfs/dbraw/zinc/84/00/99/1125840099.db2.gz PPGLWYCSVFFRMC-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001691166258 1125840101 /nfs/dbraw/zinc/84/01/01/1125840101.db2.gz PPGLWYCSVFFRMC-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO CN(CCNCCN(C)S(C)(=O)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481266012 1125957579 /nfs/dbraw/zinc/95/75/79/1125957579.db2.gz XIWRFOTXDFQIAR-UHFFFAOYSA-N 1 3 348.513 -0.200 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C[C@@H](C)O1 ZINC001481276480 1125962346 /nfs/dbraw/zinc/96/23/46/1125962346.db2.gz BYQJZCNGGDYRAF-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@H](C)C1 ZINC001481847841 1126061387 /nfs/dbraw/zinc/06/13/87/1126061387.db2.gz JBACZPUELXOTTM-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001482060390 1126074643 /nfs/dbraw/zinc/07/46/43/1126074643.db2.gz DVYRNWDPXSUBPI-YNEHKIRRSA-N 1 3 339.440 -0.495 20 0 EBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001482066858 1126075492 /nfs/dbraw/zinc/07/54/92/1126075492.db2.gz SWOXSHTWMZZCIX-CYBMUJFWSA-N 1 3 337.424 -0.785 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325891 1126131970 /nfs/dbraw/zinc/13/19/70/1126131970.db2.gz NNNKYCWTVGLWQT-NSHDSACASA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316184 1126129648 /nfs/dbraw/zinc/12/96/48/1126129648.db2.gz FRMGQBGMMVYPJZ-LLVKDONJSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)CN1CCCC1 ZINC001482365987 1126139343 /nfs/dbraw/zinc/13/93/43/1126139343.db2.gz ZTAXNTRZOKOFGM-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001482461464 1126158570 /nfs/dbraw/zinc/15/85/70/1126158570.db2.gz OVOAZNQTYIQPKJ-ZDUSSCGKSA-N 1 3 341.456 -0.118 20 0 EBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001648970726 1126184840 /nfs/dbraw/zinc/18/48/40/1126184840.db2.gz VUPKPLJOGQNWDY-IPYPFGDCSA-N 1 3 326.441 -0.545 20 0 EBADHO C[NH+]1CCC(C(=O)NCC2(NCCNS(C)(=O)=O)CC2)CC1 ZINC001670850702 1126246296 /nfs/dbraw/zinc/24/62/96/1126246296.db2.gz RPSMSMHATJCNKU-UHFFFAOYSA-N 1 3 332.470 -0.884 20 0 EBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)N1CCCCC1 ZINC001482727860 1126268187 /nfs/dbraw/zinc/26/81/87/1126268187.db2.gz CZRRTYHVPLFQCU-KBPBESRZSA-N 1 3 340.468 -0.404 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)CCC1 ZINC001482737800 1126272187 /nfs/dbraw/zinc/27/21/87/1126272187.db2.gz UHSUPFONPJQEMV-AWEZNQCLSA-N 1 3 340.468 -0.450 20 0 EBADHO CCN(CC)C(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482746312 1126276214 /nfs/dbraw/zinc/27/62/14/1126276214.db2.gz CXFAHILQYKEVMQ-AWEZNQCLSA-N 1 3 340.468 -0.450 20 0 EBADHO CN1CC[C@@H](NC[C@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774142 1126284678 /nfs/dbraw/zinc/28/46/78/1126284678.db2.gz HLPLGXQCJVTSBK-UONOGXRCSA-N 1 3 326.441 -0.984 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785432 1126290353 /nfs/dbraw/zinc/29/03/53/1126290353.db2.gz IYCLMIXBUNOCSI-STQMWFEESA-N 1 3 328.457 -0.690 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785432 1126290354 /nfs/dbraw/zinc/29/03/54/1126290354.db2.gz IYCLMIXBUNOCSI-STQMWFEESA-N 1 3 328.457 -0.690 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785428 1126290434 /nfs/dbraw/zinc/29/04/34/1126290434.db2.gz IYCLMIXBUNOCSI-OLZOCXBDSA-N 1 3 328.457 -0.690 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785428 1126290435 /nfs/dbraw/zinc/29/04/35/1126290435.db2.gz IYCLMIXBUNOCSI-OLZOCXBDSA-N 1 3 328.457 -0.690 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001482868531 1126299151 /nfs/dbraw/zinc/29/91/51/1126299151.db2.gz VIQKATLZTBOAAU-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049936 1126322839 /nfs/dbraw/zinc/32/28/39/1126322839.db2.gz CHYMYSYAVPFKMW-JJVDHKILSA-N 1 3 336.436 -0.216 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483049936 1126322841 /nfs/dbraw/zinc/32/28/41/1126322841.db2.gz CHYMYSYAVPFKMW-JJVDHKILSA-N 1 3 336.436 -0.216 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N2CCOCC2)C1 ZINC001483059622 1126327136 /nfs/dbraw/zinc/32/71/36/1126327136.db2.gz VLIVJEUDNGGJQA-XYBNCVKDSA-N 1 3 338.452 -0.551 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N2CCOCC2)C1 ZINC001483059622 1126327139 /nfs/dbraw/zinc/32/71/39/1126327139.db2.gz VLIVJEUDNGGJQA-XYBNCVKDSA-N 1 3 338.452 -0.551 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001483126930 1126336313 /nfs/dbraw/zinc/33/63/13/1126336313.db2.gz AOURYRREIZNQTM-ZIAGYGMSSA-N 1 3 325.457 -0.021 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156668 1126347980 /nfs/dbraw/zinc/34/79/80/1126347980.db2.gz RKAZZUJJXYRNGJ-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001483197414 1126352559 /nfs/dbraw/zinc/35/25/59/1126352559.db2.gz IUJCRTFKSFAIOW-VXGBXAGGSA-N 1 3 329.445 -0.345 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483236762 1126385022 /nfs/dbraw/zinc/38/50/22/1126385022.db2.gz SLWIZSAHLTWXQD-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483236762 1126385023 /nfs/dbraw/zinc/38/50/23/1126385023.db2.gz SLWIZSAHLTWXQD-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483254890 1126410956 /nfs/dbraw/zinc/41/09/56/1126410956.db2.gz KGZIRYVDNKQJHT-QWRGUYRKSA-N 1 3 327.429 -0.462 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001483296499 1126415099 /nfs/dbraw/zinc/41/50/99/1126415099.db2.gz IUJCRTFKSFAIOW-NWDGAFQWSA-N 1 3 329.445 -0.345 20 0 EBADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566792 1126435436 /nfs/dbraw/zinc/43/54/36/1126435436.db2.gz UGIJNIBVJDNSJQ-CHWSQXEVSA-N 1 3 336.436 -0.240 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001483742021 1126467498 /nfs/dbraw/zinc/46/74/98/1126467498.db2.gz DWHKCNPENLYIDU-OLZOCXBDSA-N 1 3 336.436 -0.096 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001483742021 1126467499 /nfs/dbraw/zinc/46/74/99/1126467499.db2.gz DWHKCNPENLYIDU-OLZOCXBDSA-N 1 3 336.436 -0.096 20 0 EBADHO CCn1cc(CCN2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001484252283 1126544598 /nfs/dbraw/zinc/54/45/98/1126544598.db2.gz UIPJZZBVEHBNQM-SJLPKXTDSA-N 1 3 349.479 -0.050 20 0 EBADHO CCn1cc(CCN2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001484252283 1126544599 /nfs/dbraw/zinc/54/45/99/1126544599.db2.gz UIPJZZBVEHBNQM-SJLPKXTDSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001484418538 1126571917 /nfs/dbraw/zinc/57/19/17/1126571917.db2.gz OIGNJLIEPCGFJB-OAHLLOKOSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@H](NCCN(CCO)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001484493311 1126592716 /nfs/dbraw/zinc/59/27/16/1126592716.db2.gz XHJMIMNBIUHCQZ-ZDUSSCGKSA-N 1 3 340.468 -0.594 20 0 EBADHO O=C(N(CCO)CCN[C@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001484486123 1126595844 /nfs/dbraw/zinc/59/58/44/1126595844.db2.gz HIATXNOYKSVXOI-AWEZNQCLSA-N 1 3 338.452 -0.696 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N(CCO)CCNCC(=O)N(C)C)CC1 ZINC001484495938 1126597479 /nfs/dbraw/zinc/59/74/79/1126597479.db2.gz BLLGJBQGFCFRPQ-UHFFFAOYSA-N 1 3 342.484 -0.395 20 0 EBADHO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001484619808 1126611884 /nfs/dbraw/zinc/61/18/84/1126611884.db2.gz ZXSFDEPFTXKQKG-GFCCVEGCSA-N 1 3 325.413 -0.752 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676928 1126618292 /nfs/dbraw/zinc/61/82/92/1126618292.db2.gz GOGYCVGUMBSXMM-CABCVRRESA-N 1 3 338.452 -0.719 20 0 EBADHO CN(C(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CC1 ZINC001484686671 1126621680 /nfs/dbraw/zinc/62/16/80/1126621680.db2.gz ARDJZUMUZYZYDO-CQSZACIVSA-N 1 3 326.441 -0.624 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001484695395 1126624423 /nfs/dbraw/zinc/62/44/23/1126624423.db2.gz CWRZRAARZOZMPR-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001484697859 1126625002 /nfs/dbraw/zinc/62/50/02/1126625002.db2.gz YJSLSBMZHJMQOY-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)[C@@H]1CCC(=O)NC1=O ZINC001484764762 1126629404 /nfs/dbraw/zinc/62/94/04/1126629404.db2.gz MZUJIEMUMGFJNE-CYBMUJFWSA-N 1 3 326.441 -0.086 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)[C@@H]1CCC(=O)NC1=O ZINC001484764762 1126629405 /nfs/dbraw/zinc/62/94/05/1126629405.db2.gz MZUJIEMUMGFJNE-CYBMUJFWSA-N 1 3 326.441 -0.086 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001484908838 1126652635 /nfs/dbraw/zinc/65/26/35/1126652635.db2.gz BLNYRHNDOAYOHT-LSDHHAIUSA-N 1 3 340.468 -0.378 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001484963147 1126656860 /nfs/dbraw/zinc/65/68/60/1126656860.db2.gz MSNPIWJHONKCDC-ZDUSSCGKSA-N 1 3 328.457 -0.465 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001484963147 1126656861 /nfs/dbraw/zinc/65/68/61/1126656861.db2.gz MSNPIWJHONKCDC-ZDUSSCGKSA-N 1 3 328.457 -0.465 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC2(CO[C@@H](CNCC(N)=O)C2)CC1 ZINC001485673926 1126796091 /nfs/dbraw/zinc/79/60/91/1126796091.db2.gz TYNXPKXIIKDDPG-CQSZACIVSA-N 1 3 340.468 -0.199 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC2(CO[C@@H](CNCC(N)=O)C2)CC1 ZINC001485673926 1126796094 /nfs/dbraw/zinc/79/60/94/1126796094.db2.gz TYNXPKXIIKDDPG-CQSZACIVSA-N 1 3 340.468 -0.199 20 0 EBADHO CN1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001649048067 1126864669 /nfs/dbraw/zinc/86/46/69/1126864669.db2.gz LOKQMAOHJKJJDG-ABHRYQDASA-N 1 3 327.450 -0.827 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001649041075 1126862432 /nfs/dbraw/zinc/86/24/32/1126862432.db2.gz LXSFMXFLDANKEN-ZIAGYGMSSA-N 1 3 327.425 -0.116 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062614 1127012650 /nfs/dbraw/zinc/01/26/50/1127012650.db2.gz XMUFIXOSKNEENK-QWHCGFSZSA-N 1 3 343.472 -0.898 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062614 1127012655 /nfs/dbraw/zinc/01/26/55/1127012655.db2.gz XMUFIXOSKNEENK-QWHCGFSZSA-N 1 3 343.472 -0.898 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062612 1127012995 /nfs/dbraw/zinc/01/29/95/1127012995.db2.gz XMUFIXOSKNEENK-OLZOCXBDSA-N 1 3 343.472 -0.898 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062612 1127012999 /nfs/dbraw/zinc/01/29/99/1127012999.db2.gz XMUFIXOSKNEENK-OLZOCXBDSA-N 1 3 343.472 -0.898 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125801 1127035447 /nfs/dbraw/zinc/03/54/47/1127035447.db2.gz BSJUUDKQROWJAG-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486125801 1127035449 /nfs/dbraw/zinc/03/54/49/1127035449.db2.gz BSJUUDKQROWJAG-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@@H](NCC(=O)N1CCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164689 1127623166 /nfs/dbraw/zinc/62/31/66/1127623166.db2.gz PFWWILPQXVBVKO-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO CC(C)NC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150315 1127628388 /nfs/dbraw/zinc/62/83/88/1127628388.db2.gz FIDBETUQVLFXDQ-KBPBESRZSA-N 1 3 328.457 -0.332 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C[C@H]1C ZINC001410854173 1127917445 /nfs/dbraw/zinc/91/74/45/1127917445.db2.gz BTDKSVBYEFQPPT-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C[C@H]1C ZINC001410854166 1127917681 /nfs/dbraw/zinc/91/76/81/1127917681.db2.gz BTDKSVBYEFQPPT-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001411051235 1127988175 /nfs/dbraw/zinc/98/81/75/1127988175.db2.gz ZZMAFRQKWWHIIN-TZMCWYRMSA-N 1 3 340.468 -0.453 20 0 EBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001411055438 1127990084 /nfs/dbraw/zinc/99/00/84/1127990084.db2.gz AEVRBDRLMACRTR-KGLIPLIRSA-N 1 3 338.456 -0.104 20 0 EBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001411055438 1127990087 /nfs/dbraw/zinc/99/00/87/1127990087.db2.gz AEVRBDRLMACRTR-KGLIPLIRSA-N 1 3 338.456 -0.104 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001411055209 1127990523 /nfs/dbraw/zinc/99/05/23/1127990523.db2.gz DKMJLYHUEMKRNO-UONOGXRCSA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001411055209 1127990526 /nfs/dbraw/zinc/99/05/26/1127990526.db2.gz DKMJLYHUEMKRNO-UONOGXRCSA-N 1 3 328.457 -0.644 20 0 EBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001411098332 1128015044 /nfs/dbraw/zinc/01/50/44/1128015044.db2.gz SLPYUNMMPVWABX-UBHSHLNASA-N 1 3 338.456 -0.248 20 0 EBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001411098332 1128015048 /nfs/dbraw/zinc/01/50/48/1128015048.db2.gz SLPYUNMMPVWABX-UBHSHLNASA-N 1 3 338.456 -0.248 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001411113139 1128020453 /nfs/dbraw/zinc/02/04/53/1128020453.db2.gz WRKLOVKWHQFXKQ-OAHLLOKOSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)N(C)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001411156834 1128050197 /nfs/dbraw/zinc/05/01/97/1128050197.db2.gz XPJBIHIXLISQNY-AWEZNQCLSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@H+](C)CCn2cncn2)CCC1 ZINC001411165506 1128058897 /nfs/dbraw/zinc/05/88/97/1128058897.db2.gz DQKVPOVUDZGDFQ-CQSZACIVSA-N 1 3 338.456 -0.487 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCn2cncn2)CCC1 ZINC001411165506 1128058902 /nfs/dbraw/zinc/05/89/02/1128058902.db2.gz DQKVPOVUDZGDFQ-CQSZACIVSA-N 1 3 338.456 -0.487 20 0 EBADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187841488 1128355763 /nfs/dbraw/zinc/35/57/63/1128355763.db2.gz BZUQIOZLMYILIL-CQSZACIVSA-N 1 3 325.457 -0.020 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001487998109 1128534419 /nfs/dbraw/zinc/53/44/19/1128534419.db2.gz NRBNUADYBWGHHD-OAHLLOKOSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(CC(O)CN(C)C(=O)C[NH+]1CCCC1)C(=O)CN1CCCC1 ZINC001488434413 1128771871 /nfs/dbraw/zinc/77/18/71/1128771871.db2.gz HMNGWNXJXMLQQX-UHFFFAOYSA-N 1 3 340.468 -0.544 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489391978 1128975203 /nfs/dbraw/zinc/97/52/03/1128975203.db2.gz SCKOIXBKGPFWER-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001490250148 1129152339 /nfs/dbraw/zinc/15/23/39/1129152339.db2.gz CZUVJMKKLIVZHF-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001490250148 1129152340 /nfs/dbraw/zinc/15/23/40/1129152340.db2.gz CZUVJMKKLIVZHF-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001490558838 1129225749 /nfs/dbraw/zinc/22/57/49/1129225749.db2.gz PWYSPWFMTSKXFY-GFCCVEGCSA-N 1 3 325.413 -0.930 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480550468 1131389660 /nfs/dbraw/zinc/38/96/60/1131389660.db2.gz ZHYJAKXHPTYHTC-OLZOCXBDSA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001480550468 1131389666 /nfs/dbraw/zinc/38/96/66/1131389666.db2.gz ZHYJAKXHPTYHTC-OLZOCXBDSA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCCC1)N(C)C ZINC001412923417 1129785736 /nfs/dbraw/zinc/78/57/36/1129785736.db2.gz KVILSJLDBJJVDR-UONOGXRCSA-N 1 3 342.484 -0.206 20 0 EBADHO C[C@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001412964255 1129820997 /nfs/dbraw/zinc/82/09/97/1129820997.db2.gz FBPOKCIQBFXQKZ-HUUCEWRRSA-N 1 3 342.484 -0.204 20 0 EBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CCC1 ZINC001490897459 1130229066 /nfs/dbraw/zinc/22/90/66/1130229066.db2.gz IUVCCSGCYKHZOA-KKUMJFAQSA-N 1 3 335.452 -0.035 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001490940964 1130269726 /nfs/dbraw/zinc/26/97/26/1130269726.db2.gz KFDMCCZURVVZMU-JOCQHMNTSA-N 1 3 336.440 -0.337 20 0 EBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C1CCC1 ZINC001491025543 1130295228 /nfs/dbraw/zinc/29/52/28/1130295228.db2.gz KMQKWYWOWMTEEV-IJEWVQPXSA-N 1 3 335.452 -0.035 20 0 EBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C1CCC1 ZINC001491025544 1130295370 /nfs/dbraw/zinc/29/53/70/1130295370.db2.gz KMQKWYWOWMTEEV-LZWOXQAQSA-N 1 3 335.452 -0.035 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001491081139 1130315678 /nfs/dbraw/zinc/31/56/78/1130315678.db2.gz XLSGZVRWBDKXKJ-BETUJISGSA-N 1 3 334.486 -0.545 20 0 EBADHO CC[C@@H](C(=O)NCCNC(=O)COC1CC[NH+](C)CC1)N(C)C ZINC001491475545 1130461483 /nfs/dbraw/zinc/46/14/83/1130461483.db2.gz LBKUXQKUCPIGQB-AWEZNQCLSA-N 1 3 328.457 -0.330 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548075 1130498564 /nfs/dbraw/zinc/49/85/64/1130498564.db2.gz NBIYUAYDWMEBRH-NWDGAFQWSA-N 1 3 341.456 -0.201 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557635 1130528209 /nfs/dbraw/zinc/52/82/09/1130528209.db2.gz HCIRTCYNVUKYGT-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557635 1130528213 /nfs/dbraw/zinc/52/82/13/1130528213.db2.gz HCIRTCYNVUKYGT-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCCN(C)S(C)(=O)=O ZINC001480531140 1130826553 /nfs/dbraw/zinc/82/65/53/1130826553.db2.gz UZMWVWDVCAIPLY-LBPRGKRZSA-N 1 3 334.486 -0.686 20 0 EBADHO CN(CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O)C1CCC1 ZINC001413975640 1131162249 /nfs/dbraw/zinc/16/22/49/1131162249.db2.gz UNMUSSWBCUHZQQ-BPLDGKMQSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O)C1CCC1 ZINC001413975640 1131162251 /nfs/dbraw/zinc/16/22/51/1131162251.db2.gz UNMUSSWBCUHZQQ-BPLDGKMQSA-N 1 3 338.452 -0.890 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001366119867 1133014741 /nfs/dbraw/zinc/01/47/41/1133014741.db2.gz SHUCWTWTICWKFI-ZQDZILKHSA-N 1 3 340.468 -0.453 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366171697 1133037995 /nfs/dbraw/zinc/03/79/95/1133037995.db2.gz LGMDSPPXLDGOAX-FVCCEPFGSA-N 1 3 339.440 -0.319 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366171705 1133038623 /nfs/dbraw/zinc/03/86/23/1133038623.db2.gz LGMDSPPXLDGOAX-WUHRBBMRSA-N 1 3 339.440 -0.319 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001366238039 1133070643 /nfs/dbraw/zinc/07/06/43/1133070643.db2.gz MNVDIAVIZLUMJQ-KHMAMNHCSA-N 1 3 340.443 -0.009 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001366238039 1133070645 /nfs/dbraw/zinc/07/06/45/1133070645.db2.gz MNVDIAVIZLUMJQ-KHMAMNHCSA-N 1 3 340.443 -0.009 20 0 EBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(=O)NC1CC1 ZINC001366339171 1133104393 /nfs/dbraw/zinc/10/43/93/1133104393.db2.gz CAQAVWIZURUSRG-LLVKDONJSA-N 1 3 337.424 -0.835 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001366367240 1133113991 /nfs/dbraw/zinc/11/39/91/1133113991.db2.gz WFRBMFHDNLKHNP-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001366378995 1133119168 /nfs/dbraw/zinc/11/91/68/1133119168.db2.gz KFANBARFIYZJKB-SDDRHHMPSA-N 1 3 325.413 -0.898 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001366378995 1133119171 /nfs/dbraw/zinc/11/91/71/1133119171.db2.gz KFANBARFIYZJKB-SDDRHHMPSA-N 1 3 325.413 -0.898 20 0 EBADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001366852573 1133320385 /nfs/dbraw/zinc/32/03/85/1133320385.db2.gz MHVUUGHGDBZESV-CHWSQXEVSA-N 1 3 341.456 -0.260 20 0 EBADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001366852573 1133320390 /nfs/dbraw/zinc/32/03/90/1133320390.db2.gz MHVUUGHGDBZESV-CHWSQXEVSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133742 1133484424 /nfs/dbraw/zinc/48/44/24/1133484424.db2.gz FSFVQAOPCGQCCH-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133742 1133484428 /nfs/dbraw/zinc/48/44/28/1133484428.db2.gz FSFVQAOPCGQCCH-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367381821 1133572255 /nfs/dbraw/zinc/57/22/55/1133572255.db2.gz MLPIWOPXOOFASC-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367381821 1133572259 /nfs/dbraw/zinc/57/22/59/1133572259.db2.gz MLPIWOPXOOFASC-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001367424976 1133585928 /nfs/dbraw/zinc/58/59/28/1133585928.db2.gz AXYAEQBQKSXYFA-ZYHUDNBSSA-N 1 3 336.396 -0.766 20 0 EBADHO CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001367579204 1133647215 /nfs/dbraw/zinc/64/72/15/1133647215.db2.gz JHVZGGIQYUWOPH-QWHCGFSZSA-N 1 3 328.457 -0.419 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367673652 1133740384 /nfs/dbraw/zinc/74/03/84/1133740384.db2.gz VZVUSBQZILCEOL-NEPJUHHUSA-N 1 3 327.429 -0.591 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367673652 1133740388 /nfs/dbraw/zinc/74/03/88/1133740388.db2.gz VZVUSBQZILCEOL-NEPJUHHUSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367764604 1133775920 /nfs/dbraw/zinc/77/59/20/1133775920.db2.gz VTTFBQQQMLOHDR-JSGCOSHPSA-N 1 3 336.440 -0.617 20 0 EBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368126987 1133950100 /nfs/dbraw/zinc/95/01/00/1133950100.db2.gz PDZQOTNKARBGIX-NEPJUHHUSA-N 1 3 337.424 -0.754 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163730 1133972689 /nfs/dbraw/zinc/97/26/89/1133972689.db2.gz AGEQVVOIKAREJL-XHDPSFHLSA-N 1 3 325.413 -0.896 20 0 EBADHO CN(C(=O)CNC1(CNC(=O)CC[NH+](C)C)CCOCC1)C1CC1 ZINC001368230684 1134000262 /nfs/dbraw/zinc/00/02/62/1134000262.db2.gz FGYARMAMGDDCTG-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN1CC[C@H](N2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290422 1134108394 /nfs/dbraw/zinc/10/83/94/1134108394.db2.gz USSJIVBZTRAARP-YOEHRIQHSA-N 1 3 338.452 -0.744 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001368523913 1134274606 /nfs/dbraw/zinc/27/46/06/1134274606.db2.gz NQUSTWPQQHAXHD-FRRDWIJNSA-N 1 3 341.456 -0.343 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001368565475 1134293133 /nfs/dbraw/zinc/29/31/33/1134293133.db2.gz BPQWSWRDDULFQI-CABCVRRESA-N 1 3 329.441 -0.705 20 0 EBADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCOCC1)N(C)C ZINC001368636129 1134348146 /nfs/dbraw/zinc/34/81/46/1134348146.db2.gz IGSFPRJJKRLSRM-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001368683866 1134383735 /nfs/dbraw/zinc/38/37/35/1134383735.db2.gz BFJGZZXTOWRSKX-ZDUSSCGKSA-N 1 3 326.441 -0.840 20 0 EBADHO CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001368693009 1134394324 /nfs/dbraw/zinc/39/43/24/1134394324.db2.gz ZNOYDEAVXBUKAX-UHFFFAOYSA-N 1 3 326.441 -0.887 20 0 EBADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001368774735 1134435106 /nfs/dbraw/zinc/43/51/06/1134435106.db2.gz QSFZJJXNUBVDFG-FRRDWIJNSA-N 1 3 341.456 -0.119 20 0 EBADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001368781033 1134437633 /nfs/dbraw/zinc/43/76/33/1134437633.db2.gz WZDKMGJUOKULMX-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@H](NCC(=O)N1CCC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146835 1134592100 /nfs/dbraw/zinc/59/21/00/1134592100.db2.gz GXQHOOGHLIPFEC-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147841 1134592841 /nfs/dbraw/zinc/59/28/41/1134592841.db2.gz CIIOOUGNWJQZHN-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001369183590 1134609448 /nfs/dbraw/zinc/60/94/48/1134609448.db2.gz ZLQHGHCLEWUGJO-DDHJBXDOSA-N 1 3 327.429 -0.606 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369248437 1134628250 /nfs/dbraw/zinc/62/82/50/1134628250.db2.gz FDGNKHJTPPDGKF-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369251444 1134630094 /nfs/dbraw/zinc/63/00/94/1134630094.db2.gz QCJLBJSMAOWMLD-NWDGAFQWSA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CN1CCC(C)CC1 ZINC001369397775 1134757228 /nfs/dbraw/zinc/75/72/28/1134757228.db2.gz HMOQEDPETYUYLK-QWHCGFSZSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409379 1134766461 /nfs/dbraw/zinc/76/64/61/1134766461.db2.gz WSBHTHZFKGSPOK-OLZOCXBDSA-N 1 3 329.466 -0.294 20 0 EBADHO CN(C)C1(C(=O)N[C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001370780934 1135626528 /nfs/dbraw/zinc/62/65/28/1135626528.db2.gz TXZQFKZNZZOBIH-CYBMUJFWSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC001370804028 1135646583 /nfs/dbraw/zinc/64/65/83/1135646583.db2.gz HCSKRECYQOXCBW-GJZGRUSLSA-N 1 3 342.484 -0.348 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001371198764 1135862654 /nfs/dbraw/zinc/86/26/54/1135862654.db2.gz BCUQRJCQGRSMOQ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001371198764 1135862658 /nfs/dbraw/zinc/86/26/58/1135862658.db2.gz BCUQRJCQGRSMOQ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001371477741 1135932209 /nfs/dbraw/zinc/93/22/09/1135932209.db2.gz YZQYIUINYQCOLB-CYBMUJFWSA-N 1 3 334.486 -0.544 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001371528707 1135953813 /nfs/dbraw/zinc/95/38/13/1135953813.db2.gz GDIRMCGVWAWXPX-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001371528707 1135953814 /nfs/dbraw/zinc/95/38/14/1135953814.db2.gz GDIRMCGVWAWXPX-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001371835869 1136030092 /nfs/dbraw/zinc/03/00/92/1136030092.db2.gz DHYFFDGZJZLFEW-LSDHHAIUSA-N 1 3 342.484 -0.254 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)COC1CCOCC1 ZINC001372223693 1136145611 /nfs/dbraw/zinc/14/56/11/1136145611.db2.gz KFABSXPNHTUCLJ-CABCVRRESA-N 1 3 343.468 -0.457 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)COC1CCOCC1 ZINC001372223693 1136145614 /nfs/dbraw/zinc/14/56/14/1136145614.db2.gz KFABSXPNHTUCLJ-CABCVRRESA-N 1 3 343.468 -0.457 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001372941003 1136332563 /nfs/dbraw/zinc/33/25/63/1136332563.db2.gz MWGDAHNGUQIVKU-WCQYABFASA-N 1 3 339.440 -0.780 20 0 EBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001372943630 1136333266 /nfs/dbraw/zinc/33/32/66/1136333266.db2.gz GTPSQEXGMWSTLG-TUAOUCFPSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001372943630 1136333269 /nfs/dbraw/zinc/33/32/69/1136333269.db2.gz GTPSQEXGMWSTLG-TUAOUCFPSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001373322275 1136428333 /nfs/dbraw/zinc/42/83/33/1136428333.db2.gz WUEGKUZMUJPDQZ-GFCCVEGCSA-N 1 3 341.456 -0.308 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374383323 1136681006 /nfs/dbraw/zinc/68/10/06/1136681006.db2.gz JMUMPARYAFDRCN-VXGBXAGGSA-N 1 3 327.429 -0.650 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CCC1 ZINC001374612553 1136746051 /nfs/dbraw/zinc/74/60/51/1136746051.db2.gz BDPMCMRHSZXECN-CYBMUJFWSA-N 1 3 342.484 -0.300 20 0 EBADHO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N2CCCC2)C1=O ZINC001374635124 1136765343 /nfs/dbraw/zinc/76/53/43/1136765343.db2.gz VIVUUHAONKAGPW-UONOGXRCSA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001374652647 1136776174 /nfs/dbraw/zinc/77/61/74/1136776174.db2.gz OTBUXOVBIPNKGI-XHSDSOJGSA-N 1 3 348.447 -0.856 20 0 EBADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001374652647 1136776175 /nfs/dbraw/zinc/77/61/75/1136776175.db2.gz OTBUXOVBIPNKGI-XHSDSOJGSA-N 1 3 348.447 -0.856 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNCc2ccns2)CC1 ZINC001374655538 1136778944 /nfs/dbraw/zinc/77/89/44/1136778944.db2.gz DLTUUKQDQXWQMZ-LBPRGKRZSA-N 1 3 342.465 -0.179 20 0 EBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001374751727 1136821951 /nfs/dbraw/zinc/82/19/51/1136821951.db2.gz LOABENUEHAMJND-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO C[C@@H](CNCC(=O)NC1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374928793 1136877538 /nfs/dbraw/zinc/87/75/38/1136877538.db2.gz ZSMZNPUWQQWFQG-ZDUSSCGKSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H](CNCC(=O)N1CCOC[C@H]1C1CC1)NC(=O)CC[NH+](C)C ZINC001374931118 1136878437 /nfs/dbraw/zinc/87/84/37/1136878437.db2.gz ORDZJBNDJSJTKO-ZFWWWQNUSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000643577009 375911310 /nfs/dbraw/zinc/91/13/10/375911310.db2.gz YNFXLROKIJMJRF-KGLIPLIRSA-N 1 3 325.457 -0.923 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785919 376143244 /nfs/dbraw/zinc/14/32/44/376143244.db2.gz QRYLAMDJXVTDRK-FPMFFAJLSA-N 1 3 338.452 -0.184 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785919 376143254 /nfs/dbraw/zinc/14/32/54/376143254.db2.gz QRYLAMDJXVTDRK-FPMFFAJLSA-N 1 3 338.452 -0.184 20 0 EBADHO CO[C@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000558355855 376248405 /nfs/dbraw/zinc/24/84/05/376248405.db2.gz SWJDMKQKNZRIQP-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)CN1CCN(C)CC1 ZINC000564924770 376402394 /nfs/dbraw/zinc/40/23/94/376402394.db2.gz YFHVTOHFZBHIBM-LSDHHAIUSA-N 1 3 349.483 -0.357 20 0 EBADHO CC[NH+]1CCC(CNC(=O)C(=O)N(CCOC)CCN(C)C)CC1 ZINC000569598398 376507452 /nfs/dbraw/zinc/50/74/52/376507452.db2.gz XBMRVZJDKICPOP-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642896323 376562502 /nfs/dbraw/zinc/56/25/02/376562502.db2.gz UETOEBZVVXFKAI-UHFFFAOYSA-N 1 3 331.420 -0.012 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904580 376683866 /nfs/dbraw/zinc/68/38/66/376683866.db2.gz ZLYMUJCPXSTJPG-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000642914850 376732613 /nfs/dbraw/zinc/73/26/13/376732613.db2.gz ONVDYDSGRWTRPT-GJZGRUSLSA-N 1 3 337.468 -0.907 20 0 EBADHO CO[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1C ZINC000560637381 376755016 /nfs/dbraw/zinc/75/50/16/376755016.db2.gz AHZDJJMFZSQJGG-CABCVRRESA-N 1 3 342.484 -0.178 20 0 EBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513088 376858566 /nfs/dbraw/zinc/85/85/66/376858566.db2.gz TZYBFIHEBZNWHW-AVGNSLFASA-N 1 3 325.457 -0.084 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCC2)C1 ZINC000562692454 376984221 /nfs/dbraw/zinc/98/42/21/376984221.db2.gz MYCHBZQTVBEODG-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000635929355 377138323 /nfs/dbraw/zinc/13/83/23/377138323.db2.gz UASXOEFMELFPBT-HOTGVXAUSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000635929355 377138326 /nfs/dbraw/zinc/13/83/26/377138326.db2.gz UASXOEFMELFPBT-HOTGVXAUSA-N 1 3 343.468 -0.361 20 0 EBADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570224988 377219814 /nfs/dbraw/zinc/21/98/14/377219814.db2.gz ALZHUSQSMUHFIB-JKSUJKDBSA-N 1 3 346.431 -0.653 20 0 EBADHO C[NH+](C)CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000590845254 377681257 /nfs/dbraw/zinc/68/12/57/377681257.db2.gz OZXRPJFVWKFZQX-UHFFFAOYSA-N 1 3 325.457 -0.112 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000595958208 378038507 /nfs/dbraw/zinc/03/85/07/378038507.db2.gz YXHAXXGGJIMEFW-UONOGXRCSA-N 1 3 327.425 -0.259 20 0 EBADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330548 378348647 /nfs/dbraw/zinc/34/86/47/378348647.db2.gz KWBZKECRUGSRRC-JKSUJKDBSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330548 378348653 /nfs/dbraw/zinc/34/86/53/378348653.db2.gz KWBZKECRUGSRRC-JKSUJKDBSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000602330548 378348662 /nfs/dbraw/zinc/34/86/62/378348662.db2.gz KWBZKECRUGSRRC-JKSUJKDBSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330547 378348959 /nfs/dbraw/zinc/34/89/59/378348959.db2.gz KWBZKECRUGSRRC-HZPDHXFCSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330547 378348966 /nfs/dbraw/zinc/34/89/66/378348966.db2.gz KWBZKECRUGSRRC-HZPDHXFCSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000602330547 378348973 /nfs/dbraw/zinc/34/89/73/378348973.db2.gz KWBZKECRUGSRRC-HZPDHXFCSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CC[C@H](O)C1 ZINC000637264011 378553158 /nfs/dbraw/zinc/55/31/58/378553158.db2.gz JAOHIJXEHQCWMS-GJZGRUSLSA-N 1 3 329.489 -0.376 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000570956724 378718311 /nfs/dbraw/zinc/71/83/11/378718311.db2.gz BLNMYWPLWBWHDB-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CCCO)C1 ZINC000565407648 378764966 /nfs/dbraw/zinc/76/49/66/378764966.db2.gz RLXKJSCGLUINEK-HNNXBMFYSA-N 1 3 342.484 -0.441 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCCO1 ZINC000563593818 379048034 /nfs/dbraw/zinc/04/80/34/379048034.db2.gz ZAQRBFJCHVUHIF-CABCVRRESA-N 1 3 327.473 -0.228 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000618300002 379136095 /nfs/dbraw/zinc/13/60/95/379136095.db2.gz JICFFQKWYYUGBW-UHFFFAOYSA-N 1 3 338.456 -0.463 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000629798893 379142635 /nfs/dbraw/zinc/14/26/35/379142635.db2.gz MKUHHTRNMCXRCK-UONOGXRCSA-N 1 3 328.457 -0.521 20 0 EBADHO CC[NH2+]CCCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000571388197 379168926 /nfs/dbraw/zinc/16/89/26/379168926.db2.gz QBVGVOHIATYLJN-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO COC[C@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554708 379215581 /nfs/dbraw/zinc/21/55/81/379215581.db2.gz IVZZPHAAODPXRB-PBHICJAKSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312113 379304353 /nfs/dbraw/zinc/30/43/53/379304353.db2.gz PTCROBQSRXCZNG-KBPBESRZSA-N 1 3 328.457 -0.295 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313995 379313270 /nfs/dbraw/zinc/31/32/70/379313270.db2.gz RFRZYKKSGAHPJO-GZBFAFLISA-N 1 3 337.468 -0.862 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1CO ZINC000621815509 379356201 /nfs/dbraw/zinc/35/62/01/379356201.db2.gz IATDKJFCVUTJJS-CABCVRRESA-N 1 3 342.484 -0.585 20 0 EBADHO CCN1CCC(NC(=O)Cn2cc(CN(C)CCC[NH3+])nn2)CC1 ZINC000640867517 379361419 /nfs/dbraw/zinc/36/14/19/379361419.db2.gz SHOIDHANMBIHMT-UHFFFAOYSA-N 1 3 337.472 -0.341 20 0 EBADHO Nc1nc(N)nc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000624048715 379503106 /nfs/dbraw/zinc/50/31/06/379503106.db2.gz SOVYGZAZKWCJEG-QWHCGFSZSA-N 1 3 329.408 -0.586 20 0 EBADHO Nc1nc(N)nc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000624048715 379503108 /nfs/dbraw/zinc/50/31/08/379503108.db2.gz SOVYGZAZKWCJEG-QWHCGFSZSA-N 1 3 329.408 -0.586 20 0 EBADHO CO[C@@H]1CN(CCOCC[NH+]2C[C@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488036760 379509219 /nfs/dbraw/zinc/50/92/19/379509219.db2.gz SQZFZCGNEGYIDJ-RUPPMWDTSA-N 1 3 332.441 -0.306 20 0 EBADHO CO[C@@H]1C[NH+](CCOCCN2C[C@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488036760 379509225 /nfs/dbraw/zinc/50/92/25/379509225.db2.gz SQZFZCGNEGYIDJ-RUPPMWDTSA-N 1 3 332.441 -0.306 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000627394586 379580588 /nfs/dbraw/zinc/58/05/88/379580588.db2.gz KYROYMATAVXJJD-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627394490 379580728 /nfs/dbraw/zinc/58/07/28/379580728.db2.gz IKEWOYQEGGVPND-CYBMUJFWSA-N 1 3 328.457 -0.295 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000627425350 379592233 /nfs/dbraw/zinc/59/22/33/379592233.db2.gz MUZOUTSVNPYXEJ-UONOGXRCSA-N 1 3 338.452 -0.256 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627425688 379593137 /nfs/dbraw/zinc/59/31/37/379593137.db2.gz XFAYCLATZFUNLO-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000627427714 379593318 /nfs/dbraw/zinc/59/33/18/379593318.db2.gz MCGDNIPQOUXLDC-AWEZNQCLSA-N 1 3 340.468 -0.009 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCSC1 ZINC000627370889 379569560 /nfs/dbraw/zinc/56/95/60/379569560.db2.gz PNCVLXUDBLWVFX-OAHLLOKOSA-N 1 3 344.481 -0.836 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000627463160 379612047 /nfs/dbraw/zinc/61/20/47/379612047.db2.gz PEBJUMOWHLXYHC-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000627463815 379612849 /nfs/dbraw/zinc/61/28/49/379612849.db2.gz JBKINRQLBHXFLJ-CYBMUJFWSA-N 1 3 328.457 -0.473 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000627464536 379613896 /nfs/dbraw/zinc/61/38/96/379613896.db2.gz FBUADIHPRIXQBV-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626986886 379773639 /nfs/dbraw/zinc/77/36/39/379773639.db2.gz PQEYTJLVMSUQQL-OAHLLOKOSA-N 1 3 329.489 -0.123 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632112863 379817262 /nfs/dbraw/zinc/81/72/62/379817262.db2.gz LIAPDFSYPJDVFW-CQSZACIVSA-N 1 3 346.497 -0.494 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000627176209 379820964 /nfs/dbraw/zinc/82/09/64/379820964.db2.gz NEJIHLMPHZINBF-OAHLLOKOSA-N 1 3 327.473 -0.356 20 0 EBADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)COC1)[NH+](C)C ZINC000633917864 379978210 /nfs/dbraw/zinc/97/82/10/379978210.db2.gz XZOZCSIYWDYQJW-OLZOCXBDSA-N 1 3 328.457 -0.332 20 0 EBADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)COC1)N(C)C ZINC000633917864 379978214 /nfs/dbraw/zinc/97/82/14/379978214.db2.gz XZOZCSIYWDYQJW-OLZOCXBDSA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000633090388 379933091 /nfs/dbraw/zinc/93/30/91/379933091.db2.gz DGKVXJZRGMABCB-HUUCEWRRSA-N 1 3 339.484 -0.865 20 0 EBADHO CN(C)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633088613 379933258 /nfs/dbraw/zinc/93/32/58/379933258.db2.gz LSKVAAJOJKJJPM-OKILXGFUSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@@H]1N1CCN(C)CC1 ZINC000633102154 379938729 /nfs/dbraw/zinc/93/87/29/379938729.db2.gz RBAXBKGKIAGMSY-VGWMRTNUSA-N 1 3 349.479 -0.957 20 0 EBADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)O1 ZINC000614839654 379988004 /nfs/dbraw/zinc/98/80/04/379988004.db2.gz RUIMGVCGOHATGB-XDQVBPFNSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)O1 ZINC000614839654 379988009 /nfs/dbraw/zinc/98/80/09/379988009.db2.gz RUIMGVCGOHATGB-XDQVBPFNSA-N 1 3 328.457 -0.333 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000128588118 380001772 /nfs/dbraw/zinc/00/17/72/380001772.db2.gz ZFACNALUYCHHID-NVXWUHKLSA-N 1 3 343.516 -0.128 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000545884392 380100416 /nfs/dbraw/zinc/10/04/16/380100416.db2.gz MTYBEDQVUYZWCC-YOEHRIQHSA-N 1 3 340.468 -0.147 20 0 EBADHO COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCCN1 ZINC000638089332 380115456 /nfs/dbraw/zinc/11/54/56/380115456.db2.gz NXUFYTKCVQNBOP-PBHICJAKSA-N 1 3 340.468 -0.151 20 0 EBADHO COC[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCCN1 ZINC000638089332 380115463 /nfs/dbraw/zinc/11/54/63/380115463.db2.gz NXUFYTKCVQNBOP-PBHICJAKSA-N 1 3 340.468 -0.151 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638091161 380117127 /nfs/dbraw/zinc/11/71/27/380117127.db2.gz QLSSNJKGEQMVRT-IRXDYDNUSA-N 1 3 337.512 -0.091 20 0 EBADHO CNC(=O)N[C@H]1CCN(CCCC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000546638365 380117550 /nfs/dbraw/zinc/11/75/50/380117550.db2.gz OMBMXLPAZDUGHJ-KBPBESRZSA-N 1 3 340.472 -0.227 20 0 EBADHO CNC(=O)N[C@H]1CCN(CCCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000546638365 380117554 /nfs/dbraw/zinc/11/75/54/380117554.db2.gz OMBMXLPAZDUGHJ-KBPBESRZSA-N 1 3 340.472 -0.227 20 0 EBADHO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(CC2CCOCC2)CC1 ZINC000367197369 380180019 /nfs/dbraw/zinc/18/00/19/380180019.db2.gz RVJUFTGASLREKN-QGZVFWFLSA-N 1 3 336.480 -0.053 20 0 EBADHO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(CC2CCOCC2)CC1 ZINC000367197369 380180023 /nfs/dbraw/zinc/18/00/23/380180023.db2.gz RVJUFTGASLREKN-QGZVFWFLSA-N 1 3 336.480 -0.053 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638135934 380194418 /nfs/dbraw/zinc/19/44/18/380194418.db2.gz DYUQJOYDMIOXCW-UHFFFAOYSA-N 1 3 345.491 -0.045 20 0 EBADHO Cc1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000550801160 380258171 /nfs/dbraw/zinc/25/81/71/380258171.db2.gz WVZQGMIDFPGOFW-UHFFFAOYSA-N 1 3 335.452 -0.042 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000340213500 380261429 /nfs/dbraw/zinc/26/14/29/380261429.db2.gz GTURBQYNPVOKRU-AWEZNQCLSA-N 1 3 328.457 -0.471 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCS1 ZINC000548817122 380231948 /nfs/dbraw/zinc/23/19/48/380231948.db2.gz RJKFBKJTMIUFSP-ZDUSSCGKSA-N 1 3 330.498 -0.050 20 0 EBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638241838 380307339 /nfs/dbraw/zinc/30/73/39/380307339.db2.gz TYTPVCQYDMGOAS-QZTJIDSGSA-N 1 3 345.491 -0.048 20 0 EBADHO CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000565044473 380397188 /nfs/dbraw/zinc/39/71/88/380397188.db2.gz POBYBAPFNOIZPW-ZBFHGGJFSA-N 1 3 349.483 -0.074 20 0 EBADHO O=C(CN1CC[NH2+]CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000638405626 380459854 /nfs/dbraw/zinc/45/98/54/380459854.db2.gz DYRMNHUPPQIBIG-QGZVFWFLSA-N 1 3 332.448 -0.225 20 0 EBADHO CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566511730 380479865 /nfs/dbraw/zinc/47/98/65/380479865.db2.gz AWGAKHNUJHBOFK-KGLIPLIRSA-N 1 3 341.456 -0.702 20 0 EBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000567645101 380533729 /nfs/dbraw/zinc/53/37/29/380533729.db2.gz IZPYHWUEOBPTOB-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)CN2CCCCC2)CC1=O ZINC000340822963 380638797 /nfs/dbraw/zinc/63/87/97/380638797.db2.gz MVBDPDIUUKSJEH-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492049 380604247 /nfs/dbraw/zinc/60/42/47/380604247.db2.gz AFULYESVXTXWPX-MQYQWHSLSA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568492049 380604254 /nfs/dbraw/zinc/60/42/54/380604254.db2.gz AFULYESVXTXWPX-MQYQWHSLSA-N 1 3 338.452 -0.089 20 0 EBADHO CSCC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000569004010 380625599 /nfs/dbraw/zinc/62/55/99/380625599.db2.gz XSFALMDPPCZVIJ-LBPRGKRZSA-N 1 3 346.478 -0.058 20 0 EBADHO CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573386835 380671470 /nfs/dbraw/zinc/67/14/70/380671470.db2.gz QJUWFUKTMMYDKU-STQMWFEESA-N 1 3 328.482 -0.168 20 0 EBADHO O=C(CCOC1CNC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000573916209 380691976 /nfs/dbraw/zinc/69/19/76/380691976.db2.gz LUOPATQENNBQBN-ZFWWWQNUSA-N 1 3 338.452 -0.528 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000574181896 380704047 /nfs/dbraw/zinc/70/40/47/380704047.db2.gz ZPYVIZZKVLCLAQ-UHFFFAOYSA-N 1 3 339.484 -0.636 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784937 380757491 /nfs/dbraw/zinc/75/74/91/380757491.db2.gz YCFKNFWEDAKSKF-HOCLYGCPSA-N 1 3 340.468 -0.297 20 0 EBADHO COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000576242216 380764005 /nfs/dbraw/zinc/76/40/05/380764005.db2.gz RLXIFZPJTDVJDC-ZIAGYGMSSA-N 1 3 339.440 -0.949 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cn(C)c(=O)n(C)c1=O ZINC000582366490 380734230 /nfs/dbraw/zinc/73/42/30/380734230.db2.gz SBSRLVNWPSCPPF-UHFFFAOYSA-N 1 3 337.468 -0.458 20 0 EBADHO CC[NH+]1CCC(CNc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000577132351 380803433 /nfs/dbraw/zinc/80/34/33/380803433.db2.gz LGTZKAMMPBVZEG-UHFFFAOYSA-N 1 3 337.472 -0.494 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580645100 380806560 /nfs/dbraw/zinc/80/65/60/380806560.db2.gz SYTPVHQXNMNFTR-GJZGRUSLSA-N 1 3 340.468 -0.546 20 0 EBADHO OC[C@H]1CC[N@@H+](CCCCCN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000577321084 380818039 /nfs/dbraw/zinc/81/80/39/380818039.db2.gz OUEXHSLVGDXSDM-YYIAUSFCSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CC[N@H+](CCCCCN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000577321084 380818042 /nfs/dbraw/zinc/81/80/42/380818042.db2.gz OUEXHSLVGDXSDM-YYIAUSFCSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000577321084 380818048 /nfs/dbraw/zinc/81/80/48/380818048.db2.gz OUEXHSLVGDXSDM-YYIAUSFCSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000577321084 380818052 /nfs/dbraw/zinc/81/80/52/380818052.db2.gz OUEXHSLVGDXSDM-YYIAUSFCSA-N 1 3 330.469 -0.493 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417432140 380887058 /nfs/dbraw/zinc/88/70/58/380887058.db2.gz SHHYYVKUYCWQPQ-UONOGXRCSA-N 1 3 325.457 -0.020 20 0 EBADHO CC1CC[NH+](C[C@@H](O)CNC[C@H](O)CN2CCN(C)CC2)CC1 ZINC000579712953 381009134 /nfs/dbraw/zinc/00/91/34/381009134.db2.gz ZATRJLMTAOOGSO-IRXDYDNUSA-N 1 3 328.501 -0.723 20 0 EBADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC000579712953 381009142 /nfs/dbraw/zinc/00/91/42/381009142.db2.gz ZATRJLMTAOOGSO-IRXDYDNUSA-N 1 3 328.501 -0.723 20 0 EBADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579973717 381028853 /nfs/dbraw/zinc/02/88/53/381028853.db2.gz IJIGIRROCWFPOZ-RDBSUJKOSA-N 1 3 325.457 -0.084 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN1CCC(CC[NH3+])CC1)c(=O)n2C ZINC000582790686 381074112 /nfs/dbraw/zinc/07/41/12/381074112.db2.gz ACOGFHQMKFSPRY-UHFFFAOYSA-N 1 3 348.451 -0.115 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418307346 381034448 /nfs/dbraw/zinc/03/44/48/381034448.db2.gz SLTPLQPFTSLRLD-OAHLLOKOSA-N 1 3 327.473 -0.356 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC000617504384 381035346 /nfs/dbraw/zinc/03/53/46/381035346.db2.gz SXYQNLPIBMVHCY-LBPRGKRZSA-N 1 3 327.429 -0.731 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC000617504384 381035355 /nfs/dbraw/zinc/03/53/55/381035355.db2.gz SXYQNLPIBMVHCY-LBPRGKRZSA-N 1 3 327.429 -0.731 20 0 EBADHO CCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC[NH2+]CC1 ZINC000346593031 381088368 /nfs/dbraw/zinc/08/83/68/381088368.db2.gz MOJIOZQEBGBGAT-UHFFFAOYSA-N 1 3 348.451 -0.102 20 0 EBADHO CCC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCNCC1 ZINC000346593031 381088373 /nfs/dbraw/zinc/08/83/73/381088373.db2.gz MOJIOZQEBGBGAT-UHFFFAOYSA-N 1 3 348.451 -0.102 20 0 EBADHO CCC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCNCC1 ZINC000346593031 381088380 /nfs/dbraw/zinc/08/83/80/381088380.db2.gz 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C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419022791 381356413 /nfs/dbraw/zinc/35/64/13/381356413.db2.gz IRGQRLJTOLPGNU-RBSFLKMASA-N 1 3 340.468 -0.201 20 0 EBADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419043368 381365078 /nfs/dbraw/zinc/36/50/78/381365078.db2.gz JGBSWQZTSYUECO-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419043368 381365086 /nfs/dbraw/zinc/36/50/86/381365086.db2.gz JGBSWQZTSYUECO-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO COCCNCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418911238 381343072 /nfs/dbraw/zinc/34/30/72/381343072.db2.gz CKWSAUXPDJFVSO-PBHICJAKSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CN1C1CC1 ZINC000419321823 381417503 /nfs/dbraw/zinc/41/75/03/381417503.db2.gz ROYIJRHPTJWWJD-OWTLIXCDSA-N 1 3 338.452 -0.043 20 0 EBADHO CC(C)[C@@H](CNC(=O)C(=O)N(CCN)CCO)[NH+]1CCCCCC1 ZINC000419128113 381388895 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/nfs/dbraw/zinc/20/25/28/156202528.db2.gz HTJYBXGWLZAGNS-UHFFFAOYSA-N 1 3 325.457 -0.112 20 0 EBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000345521868 156340204 /nfs/dbraw/zinc/34/02/04/156340204.db2.gz LWNVETDYJZGMRF-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000358727921 157276558 /nfs/dbraw/zinc/27/65/58/157276558.db2.gz ZDVPLURKTOSOEH-MRXNPFEDSA-N 1 3 342.532 -0.243 20 0 EBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000358727921 157276560 /nfs/dbraw/zinc/27/65/60/157276560.db2.gz ZDVPLURKTOSOEH-MRXNPFEDSA-N 1 3 342.532 -0.243 20 0 EBADHO CN(CCCN(C)C(=O)NC[C@@H]1CN(C)CCN1C)CC[NH+](C)C ZINC000358727921 157276561 /nfs/dbraw/zinc/27/65/61/157276561.db2.gz ZDVPLURKTOSOEH-MRXNPFEDSA-N 1 3 342.532 -0.243 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359369189 157315776 /nfs/dbraw/zinc/31/57/76/157315776.db2.gz HCNJQZABZSAOCD-UHFFFAOYSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000360272568 157370538 /nfs/dbraw/zinc/37/05/38/157370538.db2.gz OHOSNNWXWQZJIU-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000360272568 157370541 /nfs/dbraw/zinc/37/05/41/157370541.db2.gz OHOSNNWXWQZJIU-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000419583472 419017047 /nfs/dbraw/zinc/01/70/47/419017047.db2.gz LDZDOEAHIJTUQI-XUJVJEKNSA-N 1 3 328.482 -0.074 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410502935 419035492 /nfs/dbraw/zinc/03/54/92/419035492.db2.gz KUJQCNAKHMUBDR-QGZVFWFLSA-N 1 3 340.468 -0.423 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410502935 419035494 /nfs/dbraw/zinc/03/54/94/419035494.db2.gz KUJQCNAKHMUBDR-QGZVFWFLSA-N 1 3 340.468 -0.423 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115397 418989107 /nfs/dbraw/zinc/98/91/07/418989107.db2.gz NRPJDRDJOIGFIN-ZQIUZPCESA-N 1 3 338.452 -0.719 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653115120 418989355 /nfs/dbraw/zinc/98/93/55/418989355.db2.gz DBCPOEJSDKNBEX-KGLIPLIRSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000647556064 419114464 /nfs/dbraw/zinc/11/44/64/419114464.db2.gz NNELSBLKMDRAQF-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cn1 ZINC000655448916 419055635 /nfs/dbraw/zinc/05/56/35/419055635.db2.gz ABMPNXOVVXNTDW-RHSMWYFYSA-N 1 3 348.451 -0.111 20 0 EBADHO CCN1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000651317632 419187220 /nfs/dbraw/zinc/18/72/20/419187220.db2.gz PAARQONYYSMTSS-CQSZACIVSA-N 1 3 327.473 -0.010 20 0 EBADHO C[C@H](CNC(=O)NCCN1CCCOCC1)C[NH+]1CCN(C)CC1 ZINC000187213488 419251718 /nfs/dbraw/zinc/25/17/18/419251718.db2.gz KIHWAIGZOBTNPE-MRXNPFEDSA-N 1 3 341.500 -0.109 20 0 EBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CNCCO2)c1 ZINC000647700609 419213093 /nfs/dbraw/zinc/21/30/93/419213093.db2.gz QHADHPPPRMDMOE-GFCCVEGCSA-N 1 3 342.421 -0.759 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000652624070 419241378 /nfs/dbraw/zinc/24/13/78/419241378.db2.gz YUCRQZXTBNFLML-TZMCWYRMSA-N 1 3 334.424 -0.406 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CCO1 ZINC000652731415 419330941 /nfs/dbraw/zinc/33/09/41/419330941.db2.gz JQJNWEVVNVXJEE-UONOGXRCSA-N 1 3 326.441 -0.495 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CCO1 ZINC000652731413 419330807 /nfs/dbraw/zinc/33/08/07/419330807.db2.gz JQJNWEVVNVXJEE-KBPBESRZSA-N 1 3 326.441 -0.495 20 0 EBADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000289504506 419348054 /nfs/dbraw/zinc/34/80/54/419348054.db2.gz ULAKYLIEBCQRKF-UHFFFAOYSA-N 1 3 325.457 -0.601 20 0 EBADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000289504506 419348060 /nfs/dbraw/zinc/34/80/60/419348060.db2.gz ULAKYLIEBCQRKF-UHFFFAOYSA-N 1 3 325.457 -0.601 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340418337 419356217 /nfs/dbraw/zinc/35/62/17/419356217.db2.gz AJPYFDDTJNXBOK-SWLSCSKDSA-N 1 3 330.498 -0.004 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340799226 419381913 /nfs/dbraw/zinc/38/19/13/419381913.db2.gz NAEJZWONTCZKKR-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340799226 419381918 /nfs/dbraw/zinc/38/19/18/419381918.db2.gz NAEJZWONTCZKKR-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)CC1 ZINC000416285823 419428198 /nfs/dbraw/zinc/42/81/98/419428198.db2.gz ADBMTFVFYNRQAR-JKSUJKDBSA-N 1 3 326.485 -0.073 20 0 EBADHO C[C@@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C(=O)NCC[NH+](C)C ZINC000520626661 419567862 /nfs/dbraw/zinc/56/78/62/419567862.db2.gz FPDLRUHRNPWAKY-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO CCN1CCN(CCC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000519737962 419541530 /nfs/dbraw/zinc/54/15/30/419541530.db2.gz YCRPOHJDQYPEJO-UHFFFAOYSA-N 1 3 326.485 -0.023 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659736193 419802647 /nfs/dbraw/zinc/80/26/47/419802647.db2.gz LRGAJAVBHYYHTQ-HIFRSBDPSA-N 1 3 338.452 -0.304 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419875687 419815435 /nfs/dbraw/zinc/81/54/35/419815435.db2.gz WWPNHCYLKFARGA-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420008634 419828217 /nfs/dbraw/zinc/82/82/17/419828217.db2.gz DKJPBZIZRVHEES-UONOGXRCSA-N 1 3 328.457 -0.345 20 0 EBADHO Cc1onc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000559795806 420590727 /nfs/dbraw/zinc/59/07/27/420590727.db2.gz HODJTIFTPYEBSB-UHFFFAOYSA-N 1 3 325.413 0.182 20 0 EBADHO CC[N@H+](CCO)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000187328488 420709206 /nfs/dbraw/zinc/70/92/06/420709206.db2.gz IFIDQTQSQUWLPL-HNNXBMFYSA-N 1 3 329.489 -0.517 20 0 EBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000187328488 420709210 /nfs/dbraw/zinc/70/92/10/420709210.db2.gz IFIDQTQSQUWLPL-HNNXBMFYSA-N 1 3 329.489 -0.517 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCC(=O)N1CCNCC1 ZINC000521877104 420713434 /nfs/dbraw/zinc/71/34/34/420713434.db2.gz XZTZCJFNXJALMX-AWEZNQCLSA-N 1 3 325.457 -0.872 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656019790 420866177 /nfs/dbraw/zinc/86/61/77/420866177.db2.gz JLUBASBMYYBIEY-HUUCEWRRSA-N 1 3 337.468 -0.859 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000656027162 420868510 /nfs/dbraw/zinc/86/85/10/420868510.db2.gz BOMJNGNCUSMUFW-QLFBSQMISA-N 1 3 338.452 -0.304 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000659023815 420987919 /nfs/dbraw/zinc/98/79/19/420987919.db2.gz PLVIOXZZPVFPIT-SNVBAGLBSA-N 1 3 341.378 -0.073 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000659686833 421014534 /nfs/dbraw/zinc/01/45/34/421014534.db2.gz KQFCPRZNQPYPDH-ZDUSSCGKSA-N 1 3 336.436 -0.033 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CN1CCN(C)CC1 ZINC000659710727 421017872 /nfs/dbraw/zinc/01/78/72/421017872.db2.gz SZSGIVZUTBQCJZ-ZDUSSCGKSA-N 1 3 327.473 -0.818 20 0 EBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659725660 421022743 /nfs/dbraw/zinc/02/27/43/421022743.db2.gz XZMWAWFWWHEGPT-CQSZACIVSA-N 1 3 340.468 -0.010 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000659738456 421024017 /nfs/dbraw/zinc/02/40/17/421024017.db2.gz DVHPSNWDQBAUFS-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCC1 ZINC000659735587 421024108 /nfs/dbraw/zinc/02/41/08/421024108.db2.gz TWSVBTWIZLWITD-AWEZNQCLSA-N 1 3 338.452 -0.256 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733382 421024202 /nfs/dbraw/zinc/02/42/02/421024202.db2.gz DEZYRSDXKGVRFE-UHFFFAOYSA-N 1 3 339.484 -0.530 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662724361 421096825 /nfs/dbraw/zinc/09/68/25/421096825.db2.gz OEIZDFVDNXSFRR-HOTGVXAUSA-N 1 3 348.447 -0.042 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000662699217 421097383 /nfs/dbraw/zinc/09/73/83/421097383.db2.gz YAPUCJYNYFFYJS-CVEARBPZSA-N 1 3 348.447 -0.042 20 0 EBADHO CCN1CCN(Cc2ccccc2CNC(=O)C2(O)CNC2)CC1 ZINC000662755970 421098548 /nfs/dbraw/zinc/09/85/48/421098548.db2.gz FKRZQHBEBDDMLF-UHFFFAOYSA-N 1 3 332.448 -0.225 20 0 EBADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(O)CNC2)CC1 ZINC000662755970 421098553 /nfs/dbraw/zinc/09/85/53/421098553.db2.gz FKRZQHBEBDDMLF-UHFFFAOYSA-N 1 3 332.448 -0.225 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)C1 ZINC000662932003 421111942 /nfs/dbraw/zinc/11/19/42/421111942.db2.gz LPCMEEOYUMOGMI-SWKXRBFHSA-N 1 3 349.479 -0.826 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCO1 ZINC000662948731 421115987 /nfs/dbraw/zinc/11/59/87/421115987.db2.gz ZWYDUECUYSUCPP-LSDHHAIUSA-N 1 3 340.468 -0.105 20 0 EBADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CN(C)CCN1C ZINC000664084005 421147933 /nfs/dbraw/zinc/14/79/33/421147933.db2.gz YOQQHGQKSWGUKC-HNNXBMFYSA-N 1 3 328.505 -0.585 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000448484716 421192569 /nfs/dbraw/zinc/19/25/69/421192569.db2.gz FVIBDVMKGTXEJX-KBPBESRZSA-N 1 3 348.451 0.126 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000448484716 421192571 /nfs/dbraw/zinc/19/25/71/421192571.db2.gz FVIBDVMKGTXEJX-KBPBESRZSA-N 1 3 348.451 0.126 20 0 EBADHO CN(C)CCn1ccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000433382935 421194870 /nfs/dbraw/zinc/19/48/70/421194870.db2.gz QPVJAXJKZDSTAJ-GFCCVEGCSA-N 1 3 332.412 0.213 20 0 EBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423379828 265000274 /nfs/dbraw/zinc/00/02/74/265000274.db2.gz XUOZHCMIHLQNSQ-AWEZNQCLSA-N 1 3 338.408 -0.644 20 0 EBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423379829 265001565 /nfs/dbraw/zinc/00/15/65/265001565.db2.gz XUOZHCMIHLQNSQ-CQSZACIVSA-N 1 3 338.408 -0.644 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423752823 265042823 /nfs/dbraw/zinc/04/28/23/265042823.db2.gz WSFPIIFGOOPIPQ-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCC[NH2+]CC1 ZINC000435622229 265229108 /nfs/dbraw/zinc/22/91/08/265229108.db2.gz CHJRMPBAKPDMQW-CYBMUJFWSA-N 1 3 348.451 -0.102 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419973013 272816627 /nfs/dbraw/zinc/81/66/27/272816627.db2.gz HDFWFEOKVZICMW-UONOGXRCSA-N 1 3 328.457 -0.473 20 0 EBADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2 ZINC000339398494 289166949 /nfs/dbraw/zinc/16/69/49/289166949.db2.gz AGUMKWRUSCKKHJ-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000332347036 289367738 /nfs/dbraw/zinc/36/77/38/289367738.db2.gz AFHJVVOYHCZZJF-GJZGRUSLSA-N 1 3 337.468 -0.955 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000667812180 546063434 /nfs/dbraw/zinc/06/34/34/546063434.db2.gz GHBOSOOERGELNY-KGLIPLIRSA-N 1 3 325.457 -0.116 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000667812180 546063438 /nfs/dbraw/zinc/06/34/38/546063438.db2.gz GHBOSOOERGELNY-KGLIPLIRSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516916789 582548025 /nfs/dbraw/zinc/54/80/25/582548025.db2.gz SUJLSVYJLHVQJB-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000729033238 582683395 /nfs/dbraw/zinc/68/33/95/582683395.db2.gz PPGFAHVXNCONAE-MRXNPFEDSA-N 1 3 326.485 -0.071 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1nnnn1C ZINC000898606913 582735925 /nfs/dbraw/zinc/73/59/25/582735925.db2.gz BXYZXWCBJSPKAQ-UHFFFAOYSA-N 1 3 326.449 -0.723 20 0 EBADHO CN1CCO[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000900446103 582769945 /nfs/dbraw/zinc/76/99/45/582769945.db2.gz MXAVSVOZWJJLOH-OAHLLOKOSA-N 1 3 338.452 -0.482 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900481124 582770293 /nfs/dbraw/zinc/77/02/93/582770293.db2.gz NLLABEVVGXHQQC-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900481124 582770296 /nfs/dbraw/zinc/77/02/96/582770296.db2.gz NLLABEVVGXHQQC-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900646373 582776050 /nfs/dbraw/zinc/77/60/50/582776050.db2.gz ARFKCEXSIZZOCA-QGZVFWFLSA-N 1 3 326.485 -0.071 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900646373 582776053 /nfs/dbraw/zinc/77/60/53/582776053.db2.gz ARFKCEXSIZZOCA-QGZVFWFLSA-N 1 3 326.485 -0.071 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CCO1 ZINC000903772976 582818624 /nfs/dbraw/zinc/81/86/24/582818624.db2.gz YZCYFWFEKZGDEH-KGLIPLIRSA-N 1 3 340.468 -0.249 20 0 EBADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@@H]21 ZINC000903775888 582820032 /nfs/dbraw/zinc/82/00/32/582820032.db2.gz HOXMPGUGOSAUCD-QCNOEVLYSA-N 1 3 348.369 -0.113 20 0 EBADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@@H]21 ZINC000903775888 582820035 /nfs/dbraw/zinc/82/00/35/582820035.db2.gz HOXMPGUGOSAUCD-QCNOEVLYSA-N 1 3 348.369 -0.113 20 0 EBADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(=O)n(C)c1=O ZINC000903980576 582824079 /nfs/dbraw/zinc/82/40/79/582824079.db2.gz UWZJIGCHKRGXCY-IYBDPMFKSA-N 1 3 347.463 -0.515 20 0 EBADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(=O)n(C)c1=O ZINC000903980576 582824082 /nfs/dbraw/zinc/82/40/82/582824082.db2.gz UWZJIGCHKRGXCY-IYBDPMFKSA-N 1 3 347.463 -0.515 20 0 EBADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000903980576 582824084 /nfs/dbraw/zinc/82/40/84/582824084.db2.gz UWZJIGCHKRGXCY-IYBDPMFKSA-N 1 3 347.463 -0.515 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000764501054 583273359 /nfs/dbraw/zinc/27/33/59/583273359.db2.gz BBIDXINJIGFNEB-ZDUSSCGKSA-N 1 3 327.498 -0.339 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000803203244 583628150 /nfs/dbraw/zinc/62/81/50/583628150.db2.gz BWLCNVADSWDGTL-MGPQQGTHSA-N 1 3 326.441 -0.578 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804053391 583638045 /nfs/dbraw/zinc/63/80/45/583638045.db2.gz JQZPASGAADVAPT-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804053362 583638189 /nfs/dbraw/zinc/63/81/89/583638189.db2.gz JFFQBVHXEBJCQD-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000817813535 583729790 /nfs/dbraw/zinc/72/97/90/583729790.db2.gz HYYXFBVJDPYKCP-ZNMIVQPWSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000817813535 583729792 /nfs/dbraw/zinc/72/97/92/583729792.db2.gz HYYXFBVJDPYKCP-ZNMIVQPWSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000842015757 584056322 /nfs/dbraw/zinc/05/63/22/584056322.db2.gz MYLNWCVMVQXREU-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000842165372 584058866 /nfs/dbraw/zinc/05/88/66/584058866.db2.gz VMGAGAHDCAFHOU-APIJFGDWSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000843260837 584074467 /nfs/dbraw/zinc/07/44/67/584074467.db2.gz GRAJUMZMOCHUIU-YDHLFZDLSA-N 1 3 340.468 -0.012 20 0 EBADHO [NH3+]CCC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000846327845 584124631 /nfs/dbraw/zinc/12/46/31/584124631.db2.gz DXQGJJPZWXZDDP-GJZGRUSLSA-N 1 3 338.452 -0.447 20 0 EBADHO [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073799 584165743 /nfs/dbraw/zinc/16/57/43/584165743.db2.gz DXOZPZHDFNZGLL-CABCVRRESA-N 1 3 345.451 -0.014 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000851684720 584198300 /nfs/dbraw/zinc/19/83/00/584198300.db2.gz KDEMITQQGHHCJQ-AWEZNQCLSA-N 1 3 340.468 -0.058 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000851684940 584198413 /nfs/dbraw/zinc/19/84/13/584198413.db2.gz NLJXLHMAZJCKGK-TZMCWYRMSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000851688583 584199208 /nfs/dbraw/zinc/19/92/08/584199208.db2.gz DBWDXKACXQWRCN-ZDUSSCGKSA-N 1 3 333.436 -0.127 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000855346094 584257811 /nfs/dbraw/zinc/25/78/11/584257811.db2.gz ODQLCKFNJHMYGN-ZDUSSCGKSA-N 1 3 341.456 -0.655 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000855346094 584257813 /nfs/dbraw/zinc/25/78/13/584257813.db2.gz ODQLCKFNJHMYGN-ZDUSSCGKSA-N 1 3 341.456 -0.655 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCCCC1 ZINC000861729073 584335567 /nfs/dbraw/zinc/33/55/67/584335567.db2.gz OMXFKFNNGIEJSK-CYBMUJFWSA-N 1 3 326.441 -0.399 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000861750127 584337227 /nfs/dbraw/zinc/33/72/27/584337227.db2.gz NPFIQSKQNDMYSG-AWEZNQCLSA-N 1 3 326.441 -0.447 20 0 EBADHO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC1=O ZINC000868387279 584427241 /nfs/dbraw/zinc/42/72/41/584427241.db2.gz ADXNNAGESTWLAL-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC1=O ZINC000868387279 584427242 /nfs/dbraw/zinc/42/72/42/584427242.db2.gz ADXNNAGESTWLAL-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CCO1 ZINC000868407579 584428594 /nfs/dbraw/zinc/42/85/94/584428594.db2.gz XWSAATKIIMANAF-OLZOCXBDSA-N 1 3 326.441 -0.496 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000874172200 584479774 /nfs/dbraw/zinc/47/97/74/584479774.db2.gz IMTIZSSFNFCQBO-HIFRSBDPSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cn1 ZINC000874172200 584479775 /nfs/dbraw/zinc/47/97/75/584479775.db2.gz IMTIZSSFNFCQBO-HIFRSBDPSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000874172202 584480044 /nfs/dbraw/zinc/48/00/44/584480044.db2.gz IMTIZSSFNFCQBO-ZFWWWQNUSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cn1 ZINC000874172202 584480045 /nfs/dbraw/zinc/48/00/45/584480045.db2.gz IMTIZSSFNFCQBO-ZFWWWQNUSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876748835 584522124 /nfs/dbraw/zinc/52/21/24/584522124.db2.gz HYBJRDJNAHRHPQ-HZSPNIEDSA-N 1 3 328.432 -0.007 20 0 EBADHO COC[C@@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CNCCO1 ZINC000877199590 584529955 /nfs/dbraw/zinc/52/99/55/584529955.db2.gz WVINFJFFPMRZPD-MRXNPFEDSA-N 1 3 335.408 -0.565 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883638718 584603914 /nfs/dbraw/zinc/60/39/14/584603914.db2.gz VCJUMTIWCGNHRN-ZIAGYGMSSA-N 1 3 331.420 -0.061 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883638433 584604064 /nfs/dbraw/zinc/60/40/64/584604064.db2.gz MJKSHFWQPKROKD-KBPBESRZSA-N 1 3 331.420 -0.074 20 0 EBADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884516542 584625297 /nfs/dbraw/zinc/62/52/97/584625297.db2.gz NBIUCEFFQGYKSP-SOUVJXGZSA-N 1 3 336.436 -0.681 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000884516813 584625640 /nfs/dbraw/zinc/62/56/40/584625640.db2.gz VGOARODCKAFVDV-UMVBOHGHSA-N 1 3 338.452 -0.306 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCSC1 ZINC000884612097 584629700 /nfs/dbraw/zinc/62/97/00/584629700.db2.gz CUMTYXNDADRTTH-APHBMKBZSA-N 1 3 340.493 -0.392 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884637656 584630494 /nfs/dbraw/zinc/63/04/94/584630494.db2.gz WPBBMNKKRNYGBU-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884662544 584632313 /nfs/dbraw/zinc/63/23/13/584632313.db2.gz SFYKRBOPDQXTKR-QGZVFWFLSA-N 1 3 340.468 -0.327 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884706329 584635007 /nfs/dbraw/zinc/63/50/07/584635007.db2.gz ZJQOIEVKUMYFEW-REWJHTLYSA-N 1 3 338.452 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884706329 584635009 /nfs/dbraw/zinc/63/50/09/584635009.db2.gz ZJQOIEVKUMYFEW-REWJHTLYSA-N 1 3 338.452 -0.232 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000884725920 584636635 /nfs/dbraw/zinc/63/66/35/584636635.db2.gz CIDKBYSHSRSGDC-UKRRQHHQSA-N 1 3 347.419 -0.777 20 0 EBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885286488 584647150 /nfs/dbraw/zinc/64/71/50/584647150.db2.gz WQCGWWLLDURECW-VXGBXAGGSA-N 1 3 332.395 -0.052 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904984277 650054964 /nfs/dbraw/zinc/05/49/64/650054964.db2.gz QKXRJVHRHRHLTM-UHFFFAOYSA-N 1 3 326.441 -0.623 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000911095889 650151163 /nfs/dbraw/zinc/15/11/63/650151163.db2.gz GEBFFGUDZYYGES-ZDUSSCGKSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147725 650154351 /nfs/dbraw/zinc/15/43/51/650154351.db2.gz SCRSBEQMBPBNOF-WFASDCNBSA-N 1 3 337.468 -0.875 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148817 650154486 /nfs/dbraw/zinc/15/44/86/650154486.db2.gz RBOFPPBQQWTMCI-KBUPBQIOSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000911149557 650154687 /nfs/dbraw/zinc/15/46/87/650154687.db2.gz XOKWKBCKAJCRKP-APIJFGDWSA-N 1 3 338.452 -0.672 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911161867 650155313 /nfs/dbraw/zinc/15/53/13/650155313.db2.gz OFRVUMZAYRHTAM-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1CC[NH3+] ZINC000911200092 650159059 /nfs/dbraw/zinc/15/90/59/650159059.db2.gz PFVKNDODXHKCNT-XJKCOSOUSA-N 1 3 342.509 -0.017 20 0 EBADHO CC1(C)CC(NC(=O)C(=O)N2CCNCCNCC2)CC(C)(C)[NH2+]1 ZINC000911248636 650163478 /nfs/dbraw/zinc/16/34/78/650163478.db2.gz YWMPGTHUSBBREZ-UHFFFAOYSA-N 1 3 339.484 -0.567 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC000911268745 650164472 /nfs/dbraw/zinc/16/44/72/650164472.db2.gz FSRYKPRGRRSRNE-KBPBESRZSA-N 1 3 339.484 -0.818 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000911272647 650165298 /nfs/dbraw/zinc/16/52/98/650165298.db2.gz DGZRBCWOWAXLSR-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911333971 650171748 /nfs/dbraw/zinc/17/17/48/650171748.db2.gz WMMBBMUUGVQNGQ-HNNXBMFYSA-N 1 3 339.484 -0.756 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911336367 650172326 /nfs/dbraw/zinc/17/23/26/650172326.db2.gz HKRATOIEDYPPTM-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528448 650190448 /nfs/dbraw/zinc/19/04/48/650190448.db2.gz ONQFJTXMJGASDO-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528447 650190509 /nfs/dbraw/zinc/19/05/09/650190509.db2.gz ONQFJTXMJGASDO-UONOGXRCSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000911545685 650192549 /nfs/dbraw/zinc/19/25/49/650192549.db2.gz QUMZUFXSQCLFDH-ZDUSSCGKSA-N 1 3 336.440 -0.363 20 0 EBADHO N[C@@H]1CCc2cc(C(=O)NCCN3CC[NH2+]CC3)ccc2NC1=O ZINC000911693500 650195435 /nfs/dbraw/zinc/19/54/35/650195435.db2.gz KIJXFKDGOUSVJV-CQSZACIVSA-N 1 3 331.420 -0.466 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923343686 650338049 /nfs/dbraw/zinc/33/80/49/650338049.db2.gz FGMXXYPXFOXSTE-XHSDSOJGSA-N 1 3 343.468 -0.138 20 0 EBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)C1 ZINC000923422983 650339308 /nfs/dbraw/zinc/33/93/08/650339308.db2.gz YIORNOVLIRSJER-NMHRLERGSA-N 1 3 325.453 -0.031 20 0 EBADHO C[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923496443 650342218 /nfs/dbraw/zinc/34/22/18/650342218.db2.gz IILOSHZXMGMJLA-STQMWFEESA-N 1 3 334.486 -0.699 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926322190 650386157 /nfs/dbraw/zinc/38/61/57/650386157.db2.gz DXNFPQNHRLJARC-KRWDZBQOSA-N 1 3 340.468 -0.369 20 0 EBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926333417 650386405 /nfs/dbraw/zinc/38/64/05/650386405.db2.gz JNOLWIDHHNLGDT-XJKSGUPXSA-N 1 3 326.441 -0.759 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930113070 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730104890 /nfs/dbraw/zinc/10/48/90/730104890.db2.gz DSPMHCLWVUFWKO-YEPCUASBSA-N 1 3 335.448 -0.069 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001026043417 730117619 /nfs/dbraw/zinc/11/76/19/730117619.db2.gz RRTOERUUWWSRRF-YXISZKLHSA-N 1 3 347.463 -0.225 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001026043417 730117621 /nfs/dbraw/zinc/11/76/21/730117621.db2.gz RRTOERUUWWSRRF-YXISZKLHSA-N 1 3 347.463 -0.225 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026044102 730117789 /nfs/dbraw/zinc/11/77/89/730117789.db2.gz KNHDXQDIHZZQAI-BTFPBAQTSA-N 1 3 335.452 -0.744 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026044102 730117791 /nfs/dbraw/zinc/11/77/91/730117791.db2.gz KNHDXQDIHZZQAI-BTFPBAQTSA-N 1 3 335.452 -0.744 20 0 EBADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001026889103 730167160 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/nfs/dbraw/zinc/02/80/02/738028002.db2.gz GHCSWZXCIXRSBS-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO O=C(Cc1c[nH]cn1)N(CCO)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001058948367 738087373 /nfs/dbraw/zinc/08/73/73/738087373.db2.gz VOWZVQWNQGDFNW-OAHLLOKOSA-N 1 3 349.435 -0.769 20 0 EBADHO CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001065374720 739681287 /nfs/dbraw/zinc/68/12/87/739681287.db2.gz QZCZUNJPDOQNPG-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572464 739769051 /nfs/dbraw/zinc/76/90/51/739769051.db2.gz RDOIKUWTJDQHGC-CYBMUJFWSA-N 1 3 337.424 -0.444 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)CCC1 ZINC001065576269 739772718 /nfs/dbraw/zinc/77/27/18/739772718.db2.gz OHLHIIRWTSCKPH-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001068470857 740337030 /nfs/dbraw/zinc/33/70/30/740337030.db2.gz WNQMIXJUDYNPEI-UHFFFAOYSA-N 1 3 349.435 -0.266 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001068470857 740337035 /nfs/dbraw/zinc/33/70/35/740337035.db2.gz WNQMIXJUDYNPEI-UHFFFAOYSA-N 1 3 349.435 -0.266 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068902704 740486411 /nfs/dbraw/zinc/48/64/11/740486411.db2.gz STPCFCHQZLKZDE-AWEZNQCLSA-N 1 3 340.468 -0.236 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)C1CC1 ZINC001070500762 740850634 /nfs/dbraw/zinc/85/06/34/740850634.db2.gz GKVLUQYYQPZXOS-NUEKZKHPSA-N 1 3 335.452 -0.363 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070689920 740920790 /nfs/dbraw/zinc/92/07/90/740920790.db2.gz XCOCIWXQDNGHOH-RRFJBIMHSA-N 1 3 335.452 -0.219 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072286552 741360157 /nfs/dbraw/zinc/36/01/57/741360157.db2.gz LQNHZZOCNVSSIX-LSDHHAIUSA-N 1 3 342.484 -0.132 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001073128034 741566017 /nfs/dbraw/zinc/56/60/17/741566017.db2.gz OUPMMGUPVIEILP-OAHLLOKOSA-N 1 3 349.479 -0.112 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001073128034 741566021 /nfs/dbraw/zinc/56/60/21/741566021.db2.gz OUPMMGUPVIEILP-OAHLLOKOSA-N 1 3 349.479 -0.112 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCCO2)n[nH]1 ZINC001078498130 743679657 /nfs/dbraw/zinc/67/96/57/743679657.db2.gz HEWNCHNUNGRQOD-AWEZNQCLSA-N 1 3 348.451 -0.084 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCCO2)n[nH]1 ZINC001078508759 743684889 /nfs/dbraw/zinc/68/48/89/743684889.db2.gz XOLXEAIEORJASA-ZIAGYGMSSA-N 1 3 336.440 -0.228 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCCO2)n[nH]1 ZINC001078508759 743684893 /nfs/dbraw/zinc/68/48/93/743684893.db2.gz XOLXEAIEORJASA-ZIAGYGMSSA-N 1 3 336.440 -0.228 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980390790 805880783 /nfs/dbraw/zinc/88/07/83/805880783.db2.gz KHZQJWVLIFSXRD-ZIAGYGMSSA-N 1 3 336.436 -0.380 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980390790 805880791 /nfs/dbraw/zinc/88/07/91/805880791.db2.gz KHZQJWVLIFSXRD-ZIAGYGMSSA-N 1 3 336.436 -0.380 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC3(C2)CCCN(CCO)C3)cn1 ZINC000982063827 806386609 /nfs/dbraw/zinc/38/66/09/806386609.db2.gz YRMDFNBZMPXKMZ-UHFFFAOYSA-N 1 3 335.452 -0.025 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000976871194 803925556 /nfs/dbraw/zinc/92/55/56/803925556.db2.gz SXCWSVSJYLEVIO-FXUDXRNXSA-N 1 3 346.475 -0.005 20 0 EBADHO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(-c4ccncc4)n3)[C@@H]2C1 ZINC000978495502 804846855 /nfs/dbraw/zinc/84/68/55/804846855.db2.gz XPJTWVQHOOVNLW-ZSOGYDGISA-N 1 3 340.387 -0.340 20 0 EBADHO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(-c4ccncc4)n3)[C@@H]2C1 ZINC000978495502 804846863 /nfs/dbraw/zinc/84/68/63/804846863.db2.gz XPJTWVQHOOVNLW-ZSOGYDGISA-N 1 3 340.387 -0.340 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000984802492 807391257 /nfs/dbraw/zinc/39/12/57/807391257.db2.gz BEPJHYXMURASIV-SYQHCUMBSA-N 1 3 336.436 -0.382 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987059846 807830875 /nfs/dbraw/zinc/83/08/75/807830875.db2.gz SZTXCMCXLFGXRG-YPMHNXCESA-N 1 3 333.392 -0.320 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987059843 807831365 /nfs/dbraw/zinc/83/13/65/807831365.db2.gz SZTXCMCXLFGXRG-AAEUAGOBSA-N 1 3 333.392 -0.320 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422082 810327454 /nfs/dbraw/zinc/32/74/54/810327454.db2.gz WTZVFIWMGPUEON-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680891 810339537 /nfs/dbraw/zinc/33/95/37/810339537.db2.gz NJJJKCMEPCOXTR-BPLDGKMQSA-N 1 3 340.424 -0.587 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216001995 810354743 /nfs/dbraw/zinc/35/47/43/810354743.db2.gz NQGSUIAGSMXUNQ-GDBMZVCRSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216053477 810357269 /nfs/dbraw/zinc/35/72/69/810357269.db2.gz OTAAYXZPNOVCAB-CHWSQXEVSA-N 1 3 339.440 -0.650 20 0 EBADHO Nc1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218623409 810512098 /nfs/dbraw/zinc/51/20/98/810512098.db2.gz LKJNDYBBPJHJDM-QWRGUYRKSA-N 1 3 335.412 -0.555 20 0 EBADHO Cc1nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc(N2CCOCC2)n1 ZINC001218621498 810512210 /nfs/dbraw/zinc/51/22/10/810512210.db2.gz VPZCNCLYKKTBCV-LBPRGKRZSA-N 1 3 332.408 -0.631 20 0 EBADHO CS(=O)(=O)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cccc(N)c1 ZINC001218887364 810541965 /nfs/dbraw/zinc/54/19/65/810541965.db2.gz HGUKWDWRBWWYSE-IAQYHMDHSA-N 1 3 338.433 -0.240 20 0 EBADHO CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218894664 810543339 /nfs/dbraw/zinc/54/33/39/810543339.db2.gz TUFFRKOCQBDIBI-LLVKDONJSA-N 1 3 338.433 -0.316 20 0 EBADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001219386964 810680458 /nfs/dbraw/zinc/68/04/58/810680458.db2.gz WWAZOAARXMMHEL-BDJLRTHQSA-N 1 3 329.360 -0.075 20 0 EBADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)c1cnn2c1CNCC2 ZINC001219798036 810846159 /nfs/dbraw/zinc/84/61/59/810846159.db2.gz MEEIFBKCWJXJFL-UHFFFAOYSA-N 1 3 332.452 -0.068 20 0 EBADHO NC1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838635 810871015 /nfs/dbraw/zinc/87/10/15/810871015.db2.gz SKVAYJHSVHEZAL-RDTXWAMCSA-N 1 3 345.443 -0.006 20 0 EBADHO Cn1cc(Br)cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1=O ZINC001219881392 810892994 /nfs/dbraw/zinc/89/29/94/810892994.db2.gz WVVQXWQCJZCTBD-SECBINFHSA-N 1 3 341.209 -0.105 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCOC1 ZINC001220020892 810952006 /nfs/dbraw/zinc/95/20/06/810952006.db2.gz ZIECCKHUJIEILJ-RDBSUJKOSA-N 1 3 326.441 -0.414 20 0 EBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001220043242 810958834 /nfs/dbraw/zinc/95/88/34/810958834.db2.gz KRPMDEDSEGJTSJ-KWQFWETISA-N 1 3 336.396 -0.919 20 0 EBADHO CCCOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220101570 810981726 /nfs/dbraw/zinc/98/17/26/810981726.db2.gz SUVSKPVCGKYZHM-KBPBESRZSA-N 1 3 328.457 -0.024 20 0 EBADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220163966 811004382 /nfs/dbraw/zinc/00/43/82/811004382.db2.gz XFTYHDQAZRXXMB-UMVBOHGHSA-N 1 3 341.477 -0.198 20 0 EBADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220163967 811004429 /nfs/dbraw/zinc/00/44/29/811004429.db2.gz XFTYHDQAZRXXMB-VNHYZAJKSA-N 1 3 341.477 -0.198 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1cnccn1 ZINC001220242601 811032680 /nfs/dbraw/zinc/03/26/80/811032680.db2.gz FNEQJLCLYJXIFW-GJZGRUSLSA-N 1 3 348.451 -0.417 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315233 811053404 /nfs/dbraw/zinc/05/34/04/811053404.db2.gz AWJNVSWJABVUSV-AYMQEEERSA-N 1 3 340.468 -0.108 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315872 811053647 /nfs/dbraw/zinc/05/36/47/811053647.db2.gz JVERRMJHCLBSTM-DVOMOZLQSA-N 1 3 326.441 -0.497 20 0 EBADHO [NH3+][C@@H](C(=O)Nc1ncc(Br)[n-]c1=O)C1CC[NH2+]CC1 ZINC001220398822 811094825 /nfs/dbraw/zinc/09/48/25/811094825.db2.gz OFCPNVWWIKZMML-MRVPVSSYSA-N 1 3 330.186 -0.202 20 0 EBADHO CCCn1c(=O)cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n(CCC)c1=O ZINC001220424810 811103185 /nfs/dbraw/zinc/10/31/85/811103185.db2.gz VEEFTPITMSFXTC-LBPRGKRZSA-N 1 3 349.435 -0.423 20 0 EBADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220565902 811158481 /nfs/dbraw/zinc/15/84/81/811158481.db2.gz USDXDOANCHQGQC-KBPBESRZSA-N 1 3 332.404 -0.519 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H]2[NH2+]CCc3cc(OC)ccc32)CNC1 ZINC001220851240 811267231 /nfs/dbraw/zinc/26/72/31/811267231.db2.gz NIDDIZRKXPYDFI-CQSZACIVSA-N 1 3 333.388 -0.097 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H]2NCCc3cc(OC)ccc32)C[NH2+]C1 ZINC001220851240 811267236 /nfs/dbraw/zinc/26/72/36/811267236.db2.gz NIDDIZRKXPYDFI-CQSZACIVSA-N 1 3 333.388 -0.097 20 0 EBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903771 811288021 /nfs/dbraw/zinc/28/80/21/811288021.db2.gz ZMESEAOXJQAAAL-SNVBAGLBSA-N 1 3 348.404 -0.900 20 0 EBADHO [NH3+]CCNCC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220901367 811288470 /nfs/dbraw/zinc/28/84/70/811288470.db2.gz XFTGSSMAGGFZCH-UHFFFAOYSA-N 1 3 325.457 -0.872 20 0 EBADHO O=C(NCC1CCN(c2cnccn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220933063 811299949 /nfs/dbraw/zinc/29/99/49/811299949.db2.gz UULUCRGZYMBTKA-CQSZACIVSA-N 1 3 330.436 -0.382 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121541 811384421 /nfs/dbraw/zinc/38/44/21/811384421.db2.gz ITAKAHAGVPXEAA-ZDUSSCGKSA-N 1 3 334.424 -0.448 20 0 EBADHO CC(=O)OCN1CCC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221258341 811427973 /nfs/dbraw/zinc/42/79/73/811427973.db2.gz FWSWYWSMGPBALH-HNNXBMFYSA-N 1 3 338.452 -0.038 20 0 EBADHO CC(=O)OCN1CCC(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221258341 811427977 /nfs/dbraw/zinc/42/79/77/811427977.db2.gz FWSWYWSMGPBALH-HNNXBMFYSA-N 1 3 338.452 -0.038 20 0 EBADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221257026 811428070 /nfs/dbraw/zinc/42/80/70/811428070.db2.gz VJVMOCSRMVRSPH-UONOGXRCSA-N 1 3 337.424 -0.663 20 0 EBADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221392312 811449394 /nfs/dbraw/zinc/44/93/94/811449394.db2.gz LBJDAESLLVZERA-HUUCEWRRSA-N 1 3 348.447 -0.047 20 0 EBADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001079489556 811559949 /nfs/dbraw/zinc/55/99/49/811559949.db2.gz FJMVYMZYGCDWJO-MGPQQGTHSA-N 1 3 336.436 -0.334 20 0 EBADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001079489556 811559951 /nfs/dbraw/zinc/55/99/51/811559951.db2.gz FJMVYMZYGCDWJO-MGPQQGTHSA-N 1 3 336.436 -0.334 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001230284489 812097994 /nfs/dbraw/zinc/09/79/94/812097994.db2.gz HIVNHOFTQOGENL-ZIAGYGMSSA-N 1 3 348.513 -0.107 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC2(CO)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001080866407 812305107 /nfs/dbraw/zinc/30/51/07/812305107.db2.gz JKTALVLJGWODBF-ZDUSSCGKSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC2(CO)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001080866407 812305116 /nfs/dbraw/zinc/30/51/16/812305116.db2.gz JKTALVLJGWODBF-ZDUSSCGKSA-N 1 3 349.435 -0.626 20 0 EBADHO CN1CCN(c2ccc(CN3CCNC[C@@]34CC[NH2+]C4)cn2)CC1 ZINC001234986541 812458341 /nfs/dbraw/zinc/45/83/41/812458341.db2.gz DPLYKKMZOYNZES-SFHVURJKSA-N 1 3 330.480 -0.029 20 0 EBADHO CS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238878283 812534670 /nfs/dbraw/zinc/53/46/70/812534670.db2.gz BGHWQZZREBPDEY-UHFFFAOYSA-N 1 3 349.478 -0.303 20 0 EBADHO CS(=O)(=O)c1cccc(S(=O)(=O)NCCCNCCC[NH3+])c1 ZINC001238878283 812534677 /nfs/dbraw/zinc/53/46/77/812534677.db2.gz BGHWQZZREBPDEY-UHFFFAOYSA-N 1 3 349.478 -0.303 20 0 EBADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc([O-])cc1 ZINC001239130340 812545984 /nfs/dbraw/zinc/54/59/84/812545984.db2.gz AGJZTUPYNFMVOS-UHFFFAOYSA-N 1 3 344.437 -0.803 20 0 EBADHO S=C(NCCN1CCOCC1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363845 812551796 /nfs/dbraw/zinc/55/17/96/812551796.db2.gz QFPHLQMDHHEKMC-CQSZACIVSA-N 1 3 341.525 -0.343 20 0 EBADHO COC(=O)[C@H](N)CC[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246006026 812558621 /nfs/dbraw/zinc/55/86/21/812558621.db2.gz SQYZLHYLVCSSGR-HZSPNIEDSA-N 1 3 331.363 -0.325 20 0 EBADHO CCC(CC)[C@@H](N[C@H]1CNC(=O)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410819 812571662 /nfs/dbraw/zinc/57/16/62/812571662.db2.gz MJKHKZZZNJJZTO-MSLYRXCPSA-N 1 3 341.452 -0.233 20 0 EBADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C[C@H]1C(=O)OC ZINC001246420224 812572944 /nfs/dbraw/zinc/57/29/44/812572944.db2.gz YEVKWXIGGPXLLU-LPWJVIDDSA-N 1 3 343.424 -0.310 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555332 812574866 /nfs/dbraw/zinc/57/48/66/812574866.db2.gz XKBPLMSVSPBBSI-JFILPPLUSA-N 1 3 328.409 -0.097 20 0 EBADHO COC(=O)[C@@H]1C[C@H](N2CCC[C@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555356 812574990 /nfs/dbraw/zinc/57/49/90/812574990.db2.gz XKBPLMSVSPBBSI-OQMKEHIESA-N 1 3 328.409 -0.097 20 0 EBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@H](C[NH3+])C(=O)OC ZINC001257920063 812774270 /nfs/dbraw/zinc/77/42/70/812774270.db2.gz RXZPMTOGEXMBGO-MNOVXSKESA-N 1 3 338.426 -0.920 20 0 EBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001263113215 813108261 /nfs/dbraw/zinc/10/82/61/813108261.db2.gz BUYJHWJSTYALER-JSGCOSHPSA-N 1 3 329.441 -0.406 20 0 EBADHO CN(CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)C1CCC1 ZINC001081564024 813189468 /nfs/dbraw/zinc/18/94/68/813189468.db2.gz FKWBGMNTEHYMSO-UKRRQHHQSA-N 1 3 340.468 -0.642 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265422734 813322213 /nfs/dbraw/zinc/32/22/13/813322213.db2.gz YHOAWNPOQWFIIH-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081634854 813337044 /nfs/dbraw/zinc/33/70/44/813337044.db2.gz NFBXJLPXQMEFIV-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001265544884 813337888 /nfs/dbraw/zinc/33/78/88/813337888.db2.gz PXNVEJQKGKBEKI-FRRDWIJNSA-N 1 3 339.440 -0.495 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081636893 813346472 /nfs/dbraw/zinc/34/64/72/813346472.db2.gz GRDYRJSBANKVOC-GXTWGEPZSA-N 1 3 337.424 -0.852 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701563 813440417 /nfs/dbraw/zinc/44/04/17/813440417.db2.gz XHFPEFNKYYEMEO-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001266125565 813462699 /nfs/dbraw/zinc/46/26/99/813462699.db2.gz FMSTTZNYXLIALQ-KBPBESRZSA-N 1 3 336.436 -0.144 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001266125565 813462707 /nfs/dbraw/zinc/46/27/07/813462707.db2.gz FMSTTZNYXLIALQ-KBPBESRZSA-N 1 3 336.436 -0.144 20 0 EBADHO CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266542349 813602632 /nfs/dbraw/zinc/60/26/32/813602632.db2.gz PNHJKUYGLQQVPE-UONOGXRCSA-N 1 3 325.457 -0.021 20 0 EBADHO CC[C@H](C(=O)N(C)CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001266741011 813657792 /nfs/dbraw/zinc/65/77/92/813657792.db2.gz HKZRFCIGSJIVSY-GFCCVEGCSA-N 1 3 341.456 -0.295 20 0 EBADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCN1C(=O)CNC1=O ZINC001266971307 813714558 /nfs/dbraw/zinc/71/45/58/813714558.db2.gz LDQPLVGMOJXNPE-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267022698 813737238 /nfs/dbraw/zinc/73/72/38/813737238.db2.gz MIKKWFDVPFBSAM-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267022698 813737242 /nfs/dbraw/zinc/73/72/42/813737242.db2.gz MIKKWFDVPFBSAM-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267069013 813751651 /nfs/dbraw/zinc/75/16/51/813751651.db2.gz NBYPZBMWSZVUJB-ZDUSSCGKSA-N 1 3 332.470 -0.931 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC(=O)NC ZINC001267380356 813868109 /nfs/dbraw/zinc/86/81/09/813868109.db2.gz JBWZIPNHPHSURW-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC(=O)NC ZINC001267380356 813868116 /nfs/dbraw/zinc/86/81/16/813868116.db2.gz JBWZIPNHPHSURW-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001267416214 813885474 /nfs/dbraw/zinc/88/54/74/813885474.db2.gz HVPKRJNWNCVMIV-LBPRGKRZSA-N 1 3 327.429 -0.649 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001267416214 813885484 /nfs/dbraw/zinc/88/54/84/813885484.db2.gz HVPKRJNWNCVMIV-LBPRGKRZSA-N 1 3 327.429 -0.649 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267592317 813944871 /nfs/dbraw/zinc/94/48/71/813944871.db2.gz REIJJGQGYALAAE-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267592317 813944876 /nfs/dbraw/zinc/94/48/76/813944876.db2.gz REIJJGQGYALAAE-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001082589190 813975156 /nfs/dbraw/zinc/97/51/56/813975156.db2.gz NOCICXURBYJDST-MGPQQGTHSA-N 1 3 325.457 -0.212 20 0 EBADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082798351 814009928 /nfs/dbraw/zinc/00/99/28/814009928.db2.gz PCLXIECPVOJIJW-BPLDGKMQSA-N 1 3 348.451 -0.617 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001270921020 815931733 /nfs/dbraw/zinc/93/17/33/815931733.db2.gz DHFZHOIWIFQQSP-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084992924 816008341 /nfs/dbraw/zinc/00/83/41/816008341.db2.gz ZXXQHMMIIAJKLN-PLQZLIEUSA-N 1 3 335.448 -0.235 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084992924 816008348 /nfs/dbraw/zinc/00/83/48/816008348.db2.gz ZXXQHMMIIAJKLN-PLQZLIEUSA-N 1 3 335.448 -0.235 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001107042446 823721282 /nfs/dbraw/zinc/72/12/82/823721282.db2.gz MWPTYMMSVRDSBR-ZIAGYGMSSA-N 1 3 348.513 -0.440 20 0 EBADHO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086153212 816249620 /nfs/dbraw/zinc/24/96/20/816249620.db2.gz YTCDLSGPKLKELD-FBZGFHCTSA-N 1 3 348.447 -0.778 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1CCN1C(=O)CNC1=O ZINC001088493529 816692079 /nfs/dbraw/zinc/69/20/79/816692079.db2.gz OFCDZQGPTGONCT-AGIUHOORSA-N 1 3 337.424 -0.789 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CCN1C(=O)CNC1=O ZINC001088493529 816692082 /nfs/dbraw/zinc/69/20/82/816692082.db2.gz OFCDZQGPTGONCT-AGIUHOORSA-N 1 3 337.424 -0.789 20 0 EBADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(CC(=O)NC3CC3)C2)C1=O ZINC001273829933 816776007 /nfs/dbraw/zinc/77/60/07/816776007.db2.gz RNUXPFSNEQBTPG-QGZVFWFLSA-N 1 3 336.436 -0.332 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001274076491 816861999 /nfs/dbraw/zinc/86/19/99/816861999.db2.gz PSTVGDDQJYMFIZ-JHZNUDOXSA-N 1 3 336.436 -0.072 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001274076491 816862002 /nfs/dbraw/zinc/86/20/02/816862002.db2.gz PSTVGDDQJYMFIZ-JHZNUDOXSA-N 1 3 336.436 -0.072 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)CCO1 ZINC001275916102 817314282 /nfs/dbraw/zinc/31/42/82/817314282.db2.gz UNJQZCWNJBYPGD-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001276339882 817388902 /nfs/dbraw/zinc/38/89/02/817388902.db2.gz MHBPMFZANONUBV-INIZCTEOSA-N 1 3 342.484 -0.131 20 0 EBADHO O=C(NC[C@H](CO)NCCO[C@@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178163 817718924 /nfs/dbraw/zinc/71/89/24/817718924.db2.gz CJHCMTIESLXCEY-VXGBXAGGSA-N 1 3 333.379 -0.427 20 0 EBADHO C[C@@H](NCCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001279437105 817932101 /nfs/dbraw/zinc/93/21/01/817932101.db2.gz QZQRRBDLIVMAQG-MJBXVCDLSA-N 1 3 328.457 -0.345 20 0 EBADHO C[C@@H](NCCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001279437105 817932105 /nfs/dbraw/zinc/93/21/05/817932105.db2.gz QZQRRBDLIVMAQG-MJBXVCDLSA-N 1 3 328.457 -0.345 20 0 EBADHO C[C@H](NCCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001279437103 817932356 /nfs/dbraw/zinc/93/23/56/817932356.db2.gz QZQRRBDLIVMAQG-IHRRRGAJSA-N 1 3 328.457 -0.345 20 0 EBADHO C[C@H](NCCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001279437103 817932364 /nfs/dbraw/zinc/93/23/64/817932364.db2.gz QZQRRBDLIVMAQG-IHRRRGAJSA-N 1 3 328.457 -0.345 20 0 EBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCN1C(=O)CCC1=O ZINC001282448867 818432705 /nfs/dbraw/zinc/43/27/05/818432705.db2.gz HQXMQXFQVVHYSR-CYBMUJFWSA-N 1 3 338.452 -0.086 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001283335965 818762319 /nfs/dbraw/zinc/76/23/19/818762319.db2.gz QFOXLPFFXDQDSS-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553570 818853508 /nfs/dbraw/zinc/85/35/08/818853508.db2.gz NTBFAPXPDKXKCI-KGLIPLIRSA-N 1 3 338.452 -0.040 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553574 818853740 /nfs/dbraw/zinc/85/37/40/818853740.db2.gz NTBFAPXPDKXKCI-ZIAGYGMSSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001283878876 819015517 /nfs/dbraw/zinc/01/55/17/819015517.db2.gz FYIWFXQEFPPAFT-GOEBONIOSA-N 1 3 342.484 -0.132 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001283925464 819030859 /nfs/dbraw/zinc/03/08/59/819030859.db2.gz DAROVZLBYIRXPV-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488399 819214294 /nfs/dbraw/zinc/21/42/94/819214294.db2.gz VLTXBWZAMGXMMI-HNNXBMFYSA-N 1 3 340.424 -0.755 20 0 EBADHO COC[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488399 819214301 /nfs/dbraw/zinc/21/43/01/819214301.db2.gz VLTXBWZAMGXMMI-HNNXBMFYSA-N 1 3 340.424 -0.755 20 0 EBADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098561837 819246698 /nfs/dbraw/zinc/24/66/98/819246698.db2.gz NWEUUTLRRPBONM-UHFFFAOYSA-N 1 3 343.468 -0.624 20 0 EBADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098561837 819246700 /nfs/dbraw/zinc/24/67/00/819246700.db2.gz NWEUUTLRRPBONM-UHFFFAOYSA-N 1 3 343.468 -0.624 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001286028690 819876266 /nfs/dbraw/zinc/87/62/66/819876266.db2.gz XIRGYLMXRHEFSQ-INIZCTEOSA-N 1 3 342.484 -0.180 20 0 EBADHO CC(C)OCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074621 820166523 /nfs/dbraw/zinc/16/65/23/820166523.db2.gz QBPCVKZFGVHCRB-HUUCEWRRSA-N 1 3 331.457 -0.459 20 0 EBADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(CCOCC(F)F)C[C@H]1O ZINC001100109176 820224562 /nfs/dbraw/zinc/22/45/62/820224562.db2.gz AKPMROXRNCCPLW-CHWSQXEVSA-N 1 3 335.395 -0.085 20 0 EBADHO CN(CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001100410540 820408427 /nfs/dbraw/zinc/40/84/27/820408427.db2.gz BDZNIEJMKZAOEC-UHFFFAOYSA-N 1 3 325.413 -0.850 20 0 EBADHO CN(CC(=O)NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001100410759 820408600 /nfs/dbraw/zinc/40/86/00/820408600.db2.gz LVGYUKVEHARGHZ-YIZWMMSDSA-N 1 3 336.436 -0.240 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647488 820498882 /nfs/dbraw/zinc/49/88/82/820498882.db2.gz YBYRERJUINTAKY-ORHYLEIMSA-N 1 3 341.456 -0.487 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001101036402 820661731 /nfs/dbraw/zinc/66/17/31/820661731.db2.gz PSGZXSZQWHYAMT-WXRRBKDZSA-N 1 3 339.440 -0.460 20 0 EBADHO CN(CC(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1)C1CCC1 ZINC001293581056 820791225 /nfs/dbraw/zinc/79/12/25/820791225.db2.gz IZRMDPIQHPFEON-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001316622430 821819550 /nfs/dbraw/zinc/81/95/50/821819550.db2.gz NVEJFKOYWNHUNE-XFMPKHEZSA-N 1 3 338.452 -0.138 20 0 EBADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H](C)C(=O)NC(N)=O ZINC001316897948 821909683 /nfs/dbraw/zinc/90/96/83/821909683.db2.gz ANNWSOWNAVSLBL-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H](C)C(=O)NC(N)=O ZINC001316897948 821909691 /nfs/dbraw/zinc/90/96/91/821909691.db2.gz ANNWSOWNAVSLBL-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CN(CC(=O)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016291 821973898 /nfs/dbraw/zinc/97/38/98/821973898.db2.gz LIZZSRPXWIXMSM-UONOGXRCSA-N 1 3 336.436 -0.240 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001317212953 822039259 /nfs/dbraw/zinc/03/92/59/822039259.db2.gz HHYXWEKKTCDGLK-SZWZKDINSA-N 1 3 336.436 -0.576 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001317212953 822039267 /nfs/dbraw/zinc/03/92/67/822039267.db2.gz HHYXWEKKTCDGLK-SZWZKDINSA-N 1 3 336.436 -0.576 20 0 EBADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405720 822101938 /nfs/dbraw/zinc/10/19/38/822101938.db2.gz JPZBUKNPCVCNGI-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106910776 822352767 /nfs/dbraw/zinc/35/27/67/822352767.db2.gz OEWBVGJHTRBFKY-CHWSQXEVSA-N 1 3 341.456 -0.532 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329654 828598214 /nfs/dbraw/zinc/59/82/14/828598214.db2.gz ZDAFTTXSXHIRFM-STQMWFEESA-N 1 3 341.456 -0.486 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329654 828598218 /nfs/dbraw/zinc/59/82/18/828598218.db2.gz ZDAFTTXSXHIRFM-STQMWFEESA-N 1 3 341.456 -0.486 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129340646 828600974 /nfs/dbraw/zinc/60/09/74/828600974.db2.gz OILBBIGPUMJHOF-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129340646 828600975 /nfs/dbraw/zinc/60/09/75/828600975.db2.gz OILBBIGPUMJHOF-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363589 828604655 /nfs/dbraw/zinc/60/46/55/828604655.db2.gz KAQHDHWEMQXEQS-OCCSQVGLSA-N 1 3 326.441 -0.530 20 0 EBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363589 828604657 /nfs/dbraw/zinc/60/46/57/828604657.db2.gz KAQHDHWEMQXEQS-OCCSQVGLSA-N 1 3 326.441 -0.530 20 0 EBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364163 828606123 /nfs/dbraw/zinc/60/61/23/828606123.db2.gz QFWNCIPSMQKAMT-LSDHHAIUSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364163 828606126 /nfs/dbraw/zinc/60/61/26/828606126.db2.gz QFWNCIPSMQKAMT-LSDHHAIUSA-N 1 3 338.452 -0.386 20 0 EBADHO CC[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364336 828606264 /nfs/dbraw/zinc/60/62/64/828606264.db2.gz SMNSFQHFFSFSKT-ZIAGYGMSSA-N 1 3 326.441 -0.401 20 0 EBADHO CC[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129364336 828606265 /nfs/dbraw/zinc/60/62/65/828606265.db2.gz SMNSFQHFFSFSKT-ZIAGYGMSSA-N 1 3 326.441 -0.401 20 0 EBADHO CCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385646 828609559 /nfs/dbraw/zinc/60/95/59/828609559.db2.gz QCXQLAVYDKADIJ-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129415755 828615425 /nfs/dbraw/zinc/61/54/25/828615425.db2.gz BUJRONYQAJRUAM-LBPRGKRZSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129415755 828615430 /nfs/dbraw/zinc/61/54/30/828615430.db2.gz BUJRONYQAJRUAM-LBPRGKRZSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001129423084 828615495 /nfs/dbraw/zinc/61/54/95/828615495.db2.gz PNMOJYVFDNLDIO-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001129423084 828615498 /nfs/dbraw/zinc/61/54/98/828615498.db2.gz PNMOJYVFDNLDIO-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001129442432 828620121 /nfs/dbraw/zinc/62/01/21/828620121.db2.gz ACRNTQLMWNTDOR-SWLSCSKDSA-N 1 3 326.441 -0.815 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444849 828621425 /nfs/dbraw/zinc/62/14/25/828621425.db2.gz ZBHFSYMACYYTCF-TZMCWYRMSA-N 1 3 346.497 -0.686 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129535356 828632138 /nfs/dbraw/zinc/63/21/38/828632138.db2.gz OGNWBDWICSHOOP-DZGCQCFKSA-N 1 3 340.468 -0.140 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129846491 828680409 /nfs/dbraw/zinc/68/04/09/828680409.db2.gz QRFVIQCDUBAPJD-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129846491 828680414 /nfs/dbraw/zinc/68/04/14/828680414.db2.gz QRFVIQCDUBAPJD-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129878704 828686105 /nfs/dbraw/zinc/68/61/05/828686105.db2.gz ANMZYCAXOBJZNP-MCIONIFRSA-N 1 3 342.419 -0.708 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894516 828689934 /nfs/dbraw/zinc/68/99/34/828689934.db2.gz IKKOETZMDHTMEE-KGLIPLIRSA-N 1 3 336.440 -0.250 20 0 EBADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981081 824826574 /nfs/dbraw/zinc/82/65/74/824826574.db2.gz IPAAZLSSQZEWQO-QXSJWSMHSA-N 1 3 343.468 -0.317 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130006179 828713937 /nfs/dbraw/zinc/71/39/37/828713937.db2.gz WWIWKBISTJAZFY-ZNMIVQPWSA-N 1 3 336.440 -0.656 20 0 EBADHO COCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130024065 828716401 /nfs/dbraw/zinc/71/64/01/828716401.db2.gz IKRIRWYDDCVFGC-KGLIPLIRSA-N 1 3 333.396 -0.378 20 0 EBADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137316 828739041 /nfs/dbraw/zinc/73/90/41/828739041.db2.gz SPAXBKLWVZBSQW-CABCVRRESA-N 1 3 338.456 -0.004 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130188985 828751720 /nfs/dbraw/zinc/75/17/20/828751720.db2.gz LFHKIYMTKKBTQC-QWHCGFSZSA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130188985 828751721 /nfs/dbraw/zinc/75/17/21/828751721.db2.gz LFHKIYMTKKBTQC-QWHCGFSZSA-N 1 3 332.470 -0.742 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001130419256 828828613 /nfs/dbraw/zinc/82/86/13/828828613.db2.gz RLGOJBXCZIIUKE-CYBMUJFWSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001130419256 828828621 /nfs/dbraw/zinc/82/86/21/828828621.db2.gz RLGOJBXCZIIUKE-CYBMUJFWSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001130422142 828828847 /nfs/dbraw/zinc/82/88/47/828828847.db2.gz XYPXXGIACRLLQI-UHFFFAOYSA-N 1 3 327.429 -0.589 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001130422142 828828861 /nfs/dbraw/zinc/82/88/61/828828861.db2.gz XYPXXGIACRLLQI-UHFFFAOYSA-N 1 3 327.429 -0.589 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001130425151 828830544 /nfs/dbraw/zinc/83/05/44/828830544.db2.gz LQXOQISUHNVVFL-CYBMUJFWSA-N 1 3 348.513 -0.296 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCCN1CCCS1(=O)=O ZINC001130425034 828830673 /nfs/dbraw/zinc/83/06/73/828830673.db2.gz KMDJRBYDBKDCSI-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCCN1CCCS1(=O)=O ZINC001130425034 828830678 /nfs/dbraw/zinc/83/06/78/828830678.db2.gz KMDJRBYDBKDCSI-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001179763347 833009399 /nfs/dbraw/zinc/00/93/99/833009399.db2.gz IGYUEHHPHBGGJZ-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179857163 833019367 /nfs/dbraw/zinc/01/93/67/833019367.db2.gz WCACCQPGBJEEOV-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179857163 833019376 /nfs/dbraw/zinc/01/93/76/833019376.db2.gz WCACCQPGBJEEOV-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CCC1 ZINC001114405241 826235785 /nfs/dbraw/zinc/23/57/85/826235785.db2.gz PLCSBENSGXWXQM-CZXHOFHRSA-N 1 3 334.420 -0.678 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CCC1 ZINC001114405241 826235788 /nfs/dbraw/zinc/23/57/88/826235788.db2.gz PLCSBENSGXWXQM-CZXHOFHRSA-N 1 3 334.420 -0.678 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C ZINC001179983281 833031892 /nfs/dbraw/zinc/03/18/92/833031892.db2.gz TXHKMIODQKHWET-KBPBESRZSA-N 1 3 348.513 -0.154 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NCC)[C@@H]1C ZINC001179987474 833032081 /nfs/dbraw/zinc/03/20/81/833032081.db2.gz YNDCGNOEZCKPCZ-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C ZINC001179987327 833032221 /nfs/dbraw/zinc/03/22/21/833032221.db2.gz PXARJZPOGUFZJL-XHSDSOJGSA-N 1 3 345.484 -0.069 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114606458 826296147 /nfs/dbraw/zinc/29/61/47/826296147.db2.gz FTVQQBBNZRQDDY-LTIDMASMSA-N 1 3 337.464 -0.084 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124998 833045698 /nfs/dbraw/zinc/04/56/98/833045698.db2.gz YMZZAHKEUFTLGW-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124998 833045707 /nfs/dbraw/zinc/04/57/07/833045707.db2.gz YMZZAHKEUFTLGW-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)CN1CCCC1 ZINC001180132254 833045816 /nfs/dbraw/zinc/04/58/16/833045816.db2.gz ZUMYMNIZFRJRJC-XHSDSOJGSA-N 1 3 335.452 -0.081 20 0 EBADHO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303284 826503394 /nfs/dbraw/zinc/50/33/94/826503394.db2.gz AIKOTIXDRRLEHJ-LJIGWXMPSA-N 1 3 343.468 -0.603 20 0 EBADHO COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303284 826503400 /nfs/dbraw/zinc/50/34/00/826503400.db2.gz AIKOTIXDRRLEHJ-LJIGWXMPSA-N 1 3 343.468 -0.603 20 0 EBADHO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304023 826504257 /nfs/dbraw/zinc/50/42/57/826504257.db2.gz NBZNBMRHUSFTJQ-QLPKVWCKSA-N 1 3 340.468 -0.474 20 0 EBADHO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304023 826504261 /nfs/dbraw/zinc/50/42/61/826504261.db2.gz NBZNBMRHUSFTJQ-QLPKVWCKSA-N 1 3 340.468 -0.474 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C[C@@H]21 ZINC001119065952 827054382 /nfs/dbraw/zinc/05/43/82/827054382.db2.gz FHCDKWPXHXPPDW-WYUUTHIRSA-N 1 3 348.369 -0.256 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119365651 827102686 /nfs/dbraw/zinc/10/26/86/827102686.db2.gz UNVCMKNRIHIIOD-KGLIPLIRSA-N 1 3 339.484 -0.533 20 0 EBADHO COCCOC[C@@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119618191 827126583 /nfs/dbraw/zinc/12/65/83/827126583.db2.gz BGFVJWCBORWCBF-ZNMIVQPWSA-N 1 3 343.424 -0.733 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121952741 827490443 /nfs/dbraw/zinc/49/04/43/827490443.db2.gz LWQOESIEAMJGKG-CJNGLKHVSA-N 1 3 327.425 -0.509 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676550 833252837 /nfs/dbraw/zinc/25/28/37/833252837.db2.gz MMTXLWFGGWLFLS-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676550 833252841 /nfs/dbraw/zinc/25/28/41/833252841.db2.gz MMTXLWFGGWLFLS-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001124879400 827973729 /nfs/dbraw/zinc/97/37/29/827973729.db2.gz SWDSBCHAHKAIOL-GHMZBOCLSA-N 1 3 336.358 -0.050 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229157 833284177 /nfs/dbraw/zinc/28/41/77/833284177.db2.gz DJRGCTMNXDRNJR-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288193 833285513 /nfs/dbraw/zinc/28/55/13/833285513.db2.gz BPRXRGBHNYSUBJ-GDBMZVCRSA-N 1 3 343.468 -0.315 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001127066743 828247438 /nfs/dbraw/zinc/24/74/38/828247438.db2.gz RSXHURWPWYSUGH-LSDHHAIUSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001127066743 828247445 /nfs/dbraw/zinc/24/74/45/828247445.db2.gz RSXHURWPWYSUGH-LSDHHAIUSA-N 1 3 340.468 -0.140 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254579 828268388 /nfs/dbraw/zinc/26/83/88/828268388.db2.gz GBJBIQSRJGXIDH-OLZOCXBDSA-N 1 3 332.470 -0.884 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254579 828268393 /nfs/dbraw/zinc/26/83/93/828268393.db2.gz GBJBIQSRJGXIDH-OLZOCXBDSA-N 1 3 332.470 -0.884 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)S(C)(=O)=O ZINC001127257463 828269568 /nfs/dbraw/zinc/26/95/68/828269568.db2.gz YLBLPEUMVZZSRK-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)S(C)(=O)=O ZINC001127257463 828269572 /nfs/dbraw/zinc/26/95/72/828269572.db2.gz YLBLPEUMVZZSRK-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CCOCC1 ZINC001127474704 828296750 /nfs/dbraw/zinc/29/67/50/828296750.db2.gz NYYOHXPTPWUYHC-OAHLLOKOSA-N 1 3 338.452 -0.671 20 0 EBADHO O=C(NCCNCCN1CCCS1(=O)=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481896 828298036 /nfs/dbraw/zinc/29/80/36/828298036.db2.gz YMZAEMXEPUFSLY-AWEZNQCLSA-N 1 3 344.481 -0.931 20 0 EBADHO CC[C@@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127570939 828304086 /nfs/dbraw/zinc/30/40/86/828304086.db2.gz GQYBSCKCHSFLEY-KFWWJZLASA-N 1 3 340.468 -0.297 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184857945 833341614 /nfs/dbraw/zinc/34/16/14/833341614.db2.gz BYOKKKLZEHEGHW-RBSFLKMASA-N 1 3 329.441 -0.705 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001185264135 833353170 /nfs/dbraw/zinc/35/31/70/833353170.db2.gz ARDYFWQGIUKJCB-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185350126 833356818 /nfs/dbraw/zinc/35/68/18/833356818.db2.gz ZMZBRIBNWLNZNI-QWHCGFSZSA-N 1 3 341.456 -0.403 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185350123 833356852 /nfs/dbraw/zinc/35/68/52/833356852.db2.gz ZMZBRIBNWLNZNI-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001185385186 833357171 /nfs/dbraw/zinc/35/71/71/833357171.db2.gz LIFMKRQBSWACSR-CMPLNLGQSA-N 1 3 325.413 -0.898 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185445994 833358761 /nfs/dbraw/zinc/35/87/61/833358761.db2.gz HYNCCEDOJWCGKY-OWCLPIDISA-N 1 3 345.484 -0.213 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446381 833358929 /nfs/dbraw/zinc/35/89/29/833358929.db2.gz KOEINUGNNMQADT-TZMCWYRMSA-N 1 3 341.456 -0.391 20 0 EBADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131519636 829150293 /nfs/dbraw/zinc/15/02/93/829150293.db2.gz IDZYPMOCSIEYLH-TVIZTDCDSA-N 1 3 336.436 -0.824 20 0 EBADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131519636 829150302 /nfs/dbraw/zinc/15/03/02/829150302.db2.gz IDZYPMOCSIEYLH-TVIZTDCDSA-N 1 3 336.436 -0.824 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519647 829150322 /nfs/dbraw/zinc/15/03/22/829150322.db2.gz ILEDYQHGTQDQDD-UUCFBXCCSA-N 1 3 338.452 -0.578 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519647 829150328 /nfs/dbraw/zinc/15/03/28/829150328.db2.gz ILEDYQHGTQDQDD-UUCFBXCCSA-N 1 3 338.452 -0.578 20 0 EBADHO Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)cn1 ZINC001131519606 829150405 /nfs/dbraw/zinc/15/04/05/829150405.db2.gz HLEKKAXPJFYSRE-CKDBGZEDSA-N 1 3 333.436 -0.468 20 0 EBADHO C[C@H](COCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001185742858 833368967 /nfs/dbraw/zinc/36/89/67/833368967.db2.gz PDNBAKLRQUVFHE-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185750697 833369487 /nfs/dbraw/zinc/36/94/87/833369487.db2.gz MBWYSKHWRGIEIK-CHWSQXEVSA-N 1 3 341.456 -0.404 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC(N)=O)CCCCC1 ZINC001131799306 829223322 /nfs/dbraw/zinc/22/33/22/829223322.db2.gz MMKNXNYNDQXQHI-UHFFFAOYSA-N 1 3 327.429 -0.601 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001131799112 829223557 /nfs/dbraw/zinc/22/35/57/829223557.db2.gz IHXGYUOAYZYCML-HNNXBMFYSA-N 1 3 346.431 -0.085 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001186486516 833403247 /nfs/dbraw/zinc/40/32/47/833403247.db2.gz ARPOKWXEXUXWKX-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186458559 833402540 /nfs/dbraw/zinc/40/25/40/833402540.db2.gz PGFRSRMOMMEVCL-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001186496459 833403501 /nfs/dbraw/zinc/40/35/01/833403501.db2.gz IBBKIHWTYANTAJ-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001186511559 833403916 /nfs/dbraw/zinc/40/39/16/833403916.db2.gz GDBPOFWUGQWTRD-LBPRGKRZSA-N 1 3 335.408 -0.718 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(=O)NC(N)=O ZINC001186568878 833406519 /nfs/dbraw/zinc/40/65/19/833406519.db2.gz MGWMMWWBSCAEGF-QWHCGFSZSA-N 1 3 339.440 -0.508 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(=O)NC)C1 ZINC001132737998 829511410 /nfs/dbraw/zinc/51/14/10/829511410.db2.gz SSDTTZHODFFVMI-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(=O)NC)C1 ZINC001132737998 829511413 /nfs/dbraw/zinc/51/14/13/829511413.db2.gz SSDTTZHODFFVMI-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(=O)NCC)C1 ZINC001132738287 829511538 /nfs/dbraw/zinc/51/15/38/829511538.db2.gz YLNSISHPAYFNMK-ZDUSSCGKSA-N 1 3 341.456 -0.340 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(=O)NCC)C1 ZINC001132738287 829511541 /nfs/dbraw/zinc/51/15/41/829511541.db2.gz YLNSISHPAYFNMK-ZDUSSCGKSA-N 1 3 341.456 -0.340 20 0 EBADHO COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CN(C(C)C)CCO2)n1 ZINC001132859114 829538945 /nfs/dbraw/zinc/53/89/45/829538945.db2.gz WMDILEQMOBCVEU-AWEZNQCLSA-N 1 3 337.424 -0.200 20 0 EBADHO COc1nccc(CNCCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC001132859114 829538951 /nfs/dbraw/zinc/53/89/51/829538951.db2.gz WMDILEQMOBCVEU-AWEZNQCLSA-N 1 3 337.424 -0.200 20 0 EBADHO COc1nccc(CNCCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001132859114 829538956 /nfs/dbraw/zinc/53/89/56/829538956.db2.gz WMDILEQMOBCVEU-AWEZNQCLSA-N 1 3 337.424 -0.200 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001132882348 829544645 /nfs/dbraw/zinc/54/46/45/829544645.db2.gz DGFHFYULQVHCCZ-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001132882348 829544652 /nfs/dbraw/zinc/54/46/52/829544652.db2.gz DGFHFYULQVHCCZ-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001132995273 829569081 /nfs/dbraw/zinc/56/90/81/829569081.db2.gz PZRRYCIWHBLSMB-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC2CCOCC2)CC1 ZINC001132993281 829569306 /nfs/dbraw/zinc/56/93/06/829569306.db2.gz RLIJDMGOLFKBPU-UHFFFAOYSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(=O)NC1CC1 ZINC001132997604 829569511 /nfs/dbraw/zinc/56/95/11/829569511.db2.gz JAQJJRUICRHPTF-NSHDSACASA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(=O)NC1CC1 ZINC001132997603 829569691 /nfs/dbraw/zinc/56/96/91/829569691.db2.gz JAQJJRUICRHPTF-LLVKDONJSA-N 1 3 339.440 -0.589 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)NCc1ccco1 ZINC001133291153 829616165 /nfs/dbraw/zinc/61/61/65/829616165.db2.gz KNIZEBSMSAJHSK-UHFFFAOYSA-N 1 3 339.396 -0.737 20 0 EBADHO CC[C@H](C(=O)NCCNCC(=O)NC[C@@H]1CCOC1)[NH+](CC)CC ZINC001133689693 829661863 /nfs/dbraw/zinc/66/18/63/829661863.db2.gz BGXDQJLRRXWAKM-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846241 829684937 /nfs/dbraw/zinc/68/49/37/829684937.db2.gz WYJUUDBTLJYNBE-ZDUSSCGKSA-N 1 3 334.486 -0.637 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846212 829685651 /nfs/dbraw/zinc/68/56/51/829685651.db2.gz WFXDOCZJPFXPNM-AWEZNQCLSA-N 1 3 349.497 -0.515 20 0 EBADHO C[C@H](NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856810 829687929 /nfs/dbraw/zinc/68/79/29/829687929.db2.gz RQLXPUVXNYKVNB-ZUZCIYMTSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@H](NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856810 829687932 /nfs/dbraw/zinc/68/79/32/829687932.db2.gz RQLXPUVXNYKVNB-ZUZCIYMTSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862622 829688023 /nfs/dbraw/zinc/68/80/23/829688023.db2.gz DQIKCVRMENTKAI-RYUDHWBXSA-N 1 3 341.456 -0.486 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862622 829688026 /nfs/dbraw/zinc/68/80/26/829688026.db2.gz DQIKCVRMENTKAI-RYUDHWBXSA-N 1 3 341.456 -0.486 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001133853915 829688388 /nfs/dbraw/zinc/68/83/88/829688388.db2.gz UDQQEQBYBANPDT-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001133853915 829688390 /nfs/dbraw/zinc/68/83/90/829688390.db2.gz UDQQEQBYBANPDT-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133856857 829688458 /nfs/dbraw/zinc/68/84/58/829688458.db2.gz SUDNYFNTEFWLNX-INIZCTEOSA-N 1 3 343.447 -0.070 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021012 829713566 /nfs/dbraw/zinc/71/35/66/829713566.db2.gz NVWBNFFQUAVVFK-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001134021105 829713673 /nfs/dbraw/zinc/71/36/73/829713673.db2.gz RHQHKHRLNDHNRP-KGLIPLIRSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134582911 829796628 /nfs/dbraw/zinc/79/66/28/829796628.db2.gz BIJJQZFJTATMNK-STQMWFEESA-N 1 3 348.513 -0.107 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134767054 829841032 /nfs/dbraw/zinc/84/10/32/829841032.db2.gz QUZAACDGGDKDKP-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103038 829898412 /nfs/dbraw/zinc/89/84/12/829898412.db2.gz SOADOFCQOCYIHF-ZIAGYGMSSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103038 829898413 /nfs/dbraw/zinc/89/84/13/829898413.db2.gz SOADOFCQOCYIHF-ZIAGYGMSSA-N 1 3 346.497 -0.352 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474409 829973293 /nfs/dbraw/zinc/97/32/93/829973293.db2.gz PHVQHJGUJFSSHC-VXGBXAGGSA-N 1 3 329.445 -0.358 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001135513613 829979805 /nfs/dbraw/zinc/97/98/05/829979805.db2.gz SBGDMBLWBASCIN-AWEZNQCLSA-N 1 3 331.457 -0.410 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257849 837418368 /nfs/dbraw/zinc/41/83/68/837418368.db2.gz VVZOLARUDHKNLW-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284530 837421645 /nfs/dbraw/zinc/42/16/45/837421645.db2.gz MHELSYPUKJANAL-CHWSQXEVSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284533 837421668 /nfs/dbraw/zinc/42/16/68/837421668.db2.gz MHELSYPUKJANAL-STQMWFEESA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)CC1 ZINC001146375997 830194160 /nfs/dbraw/zinc/19/41/60/830194160.db2.gz DHALRWFNMNQOSV-LLVKDONJSA-N 1 3 327.429 -0.604 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601108 830212685 /nfs/dbraw/zinc/21/26/85/830212685.db2.gz JYDKFDIZCKYYHK-QWHCGFSZSA-N 1 3 341.456 -0.249 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824762 830416255 /nfs/dbraw/zinc/41/62/55/830416255.db2.gz NPRXBTZCVXFPAK-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842059 830418789 /nfs/dbraw/zinc/41/87/89/830418789.db2.gz KZKRHYIOWKYIBJ-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900453 830428127 /nfs/dbraw/zinc/42/81/27/830428127.db2.gz NFWWACVXNHESCF-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900453 830428131 /nfs/dbraw/zinc/42/81/31/830428131.db2.gz NFWWACVXNHESCF-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900877 830428198 /nfs/dbraw/zinc/42/81/98/830428198.db2.gz XSWVXBNQKIKFPE-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900877 830428202 /nfs/dbraw/zinc/42/82/02/830428202.db2.gz XSWVXBNQKIKFPE-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900455 830428689 /nfs/dbraw/zinc/42/86/89/830428689.db2.gz NFWWACVXNHESCF-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900455 830428695 /nfs/dbraw/zinc/42/86/95/830428695.db2.gz NFWWACVXNHESCF-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977164 830434060 /nfs/dbraw/zinc/43/40/60/830434060.db2.gz LTHKNOAWVOFTHZ-UHFFFAOYSA-N 1 3 325.413 -0.976 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994908 830435875 /nfs/dbraw/zinc/43/58/75/830435875.db2.gz UYZRYXLYIRSHKM-UHFFFAOYSA-N 1 3 339.440 -0.730 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999851 830436966 /nfs/dbraw/zinc/43/69/66/830436966.db2.gz GBKFHYLFIDWHQM-UHFFFAOYSA-N 1 3 339.440 -0.586 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292755 830466978 /nfs/dbraw/zinc/46/69/78/830466978.db2.gz SDFAVDLFZYYOST-LSDHHAIUSA-N 1 3 325.453 -0.130 20 0 EBADHO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292755 830466984 /nfs/dbraw/zinc/46/69/84/830466984.db2.gz SDFAVDLFZYYOST-LSDHHAIUSA-N 1 3 325.453 -0.130 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365429 830476036 /nfs/dbraw/zinc/47/60/36/830476036.db2.gz PJRARSSIJVMSFJ-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001148551652 830503968 /nfs/dbraw/zinc/50/39/68/830503968.db2.gz QNKLEGDRWJVKCT-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001148551652 830503975 /nfs/dbraw/zinc/50/39/75/830503975.db2.gz QNKLEGDRWJVKCT-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@H]2CN(CCO)CCCO2)CC1 ZINC001150507575 830919310 /nfs/dbraw/zinc/91/93/10/830919310.db2.gz HOUPIKFJJNFDCD-HNNXBMFYSA-N 1 3 329.441 -0.703 20 0 EBADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508048 830919351 /nfs/dbraw/zinc/91/93/51/830919351.db2.gz NJYJVKJUFIIZRY-GOEBONIOSA-N 1 3 343.468 -0.315 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)Nc2ccccc2)C1 ZINC001151048342 831014737 /nfs/dbraw/zinc/01/47/37/831014737.db2.gz AEYMFFPNJAEUED-ZDUSSCGKSA-N 1 3 347.419 -0.008 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)Nc2ccccc2)C1 ZINC001151048342 831014747 /nfs/dbraw/zinc/01/47/47/831014747.db2.gz AEYMFFPNJAEUED-ZDUSSCGKSA-N 1 3 347.419 -0.008 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)Nc2ccccc2)C1 ZINC001151048333 831015410 /nfs/dbraw/zinc/01/54/10/831015410.db2.gz AEYMFFPNJAEUED-CYBMUJFWSA-N 1 3 347.419 -0.008 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)Nc2ccccc2)C1 ZINC001151048333 831015420 /nfs/dbraw/zinc/01/54/20/831015420.db2.gz AEYMFFPNJAEUED-CYBMUJFWSA-N 1 3 347.419 -0.008 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066331 831019928 /nfs/dbraw/zinc/01/99/28/831019928.db2.gz SSHUFQBRGLWWDK-QWHCGFSZSA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066331 831019936 /nfs/dbraw/zinc/01/99/36/831019936.db2.gz SSHUFQBRGLWWDK-QWHCGFSZSA-N 1 3 341.456 -0.486 20 0 EBADHO COCCC1(NC(=O)CC[NH+](C)C)CCN(CCOCCO)CC1 ZINC001151308764 831055964 /nfs/dbraw/zinc/05/59/64/831055964.db2.gz URUHCNUEEYRTLG-UHFFFAOYSA-N 1 3 345.484 -0.066 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145619 831133978 /nfs/dbraw/zinc/13/39/78/831133978.db2.gz CRSOGUWUGHVHLJ-BETUJISGSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152145619 831133981 /nfs/dbraw/zinc/13/39/81/831133981.db2.gz CRSOGUWUGHVHLJ-BETUJISGSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCCN1CCCS1(=O)=O ZINC001152148427 831134378 /nfs/dbraw/zinc/13/43/78/831134378.db2.gz PTOQYMURNOSXRK-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152222694 831143409 /nfs/dbraw/zinc/14/34/09/831143409.db2.gz AUOTUTQFGGDOJE-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236907 831143744 /nfs/dbraw/zinc/14/37/44/831143744.db2.gz ICPGOHPCDDCWSQ-UHFFFAOYSA-N 1 3 349.435 -0.087 20 0 EBADHO C[NH+](C)Cc1cccc(C(=O)NCCNCC(=O)N2CCOCC2)c1 ZINC001152237594 831144857 /nfs/dbraw/zinc/14/48/57/831144857.db2.gz QWQFPXLDXFTVEN-UHFFFAOYSA-N 1 3 348.447 -0.074 20 0 EBADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001152393585 831158321 /nfs/dbraw/zinc/15/83/21/831158321.db2.gz PZXCNHZYQKOZHN-CQSZACIVSA-N 1 3 332.404 -0.127 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446089 831164101 /nfs/dbraw/zinc/16/41/01/831164101.db2.gz TUSGWNKLJAMHAJ-LBPRGKRZSA-N 1 3 329.445 -0.345 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001152457445 831164196 /nfs/dbraw/zinc/16/41/96/831164196.db2.gz FABUQXNXWMWNON-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001152445900 831164551 /nfs/dbraw/zinc/16/45/51/831164551.db2.gz QRQZVMPOQMVFEI-LSDHHAIUSA-N 1 3 331.457 -0.411 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152464547 831165157 /nfs/dbraw/zinc/16/51/57/831165157.db2.gz VXBFMUBLALXDNJ-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO CN(c1ccc(OCC2CC[NH2+]CC2)nn1)S(=O)(=O)CCN ZINC001156240033 831463385 /nfs/dbraw/zinc/46/33/85/831463385.db2.gz GCAGDLZOXLXAEP-UHFFFAOYSA-N 1 3 329.426 -0.420 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496769 831572259 /nfs/dbraw/zinc/57/22/59/831572259.db2.gz GUXJUWVNDLDKOS-GJZGRUSLSA-N 1 3 340.468 -0.105 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720447 831588195 /nfs/dbraw/zinc/58/81/95/831588195.db2.gz JGEQXTSPNVGVTA-KBPBESRZSA-N 1 3 327.425 -0.306 20 0 EBADHO O=C(CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cnccn1 ZINC001158195871 831639003 /nfs/dbraw/zinc/63/90/03/831639003.db2.gz FKGNBPILMXHRCM-CQSZACIVSA-N 1 3 346.435 -0.147 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327025 831647041 /nfs/dbraw/zinc/64/70/41/831647041.db2.gz PMJMSTYZDXOYMH-AWEZNQCLSA-N 1 3 340.468 -0.010 20 0 EBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)Cc1cncn1C ZINC001158495965 831660685 /nfs/dbraw/zinc/66/06/85/831660685.db2.gz HRMCWPLLDIEORO-DOERSZECSA-N 1 3 335.408 -0.958 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158508860 831662047 /nfs/dbraw/zinc/66/20/47/831662047.db2.gz XFCXIHZMTQSIOK-GJZGRUSLSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158508860 831662049 /nfs/dbraw/zinc/66/20/49/831662049.db2.gz XFCXIHZMTQSIOK-GJZGRUSLSA-N 1 3 349.435 -0.056 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508867 831662068 /nfs/dbraw/zinc/66/20/68/831662068.db2.gz XHOFPOWLAZFMSW-AAEUAGOBSA-N 1 3 325.438 -0.003 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158508867 831662070 /nfs/dbraw/zinc/66/20/70/831662070.db2.gz XHOFPOWLAZFMSW-AAEUAGOBSA-N 1 3 325.438 -0.003 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533025 831663209 /nfs/dbraw/zinc/66/32/09/831663209.db2.gz GWBFFDBWNQYWJU-QDEZUTFSSA-N 1 3 338.452 -0.545 20 0 EBADHO O=C([C@@H]1CNCCN1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903241 831695006 /nfs/dbraw/zinc/69/50/06/831695006.db2.gz MWUBIFAMDJWUAM-HACGYAERSA-N 1 3 349.410 -0.364 20 0 EBADHO O=C([C@H]1C[NH2+]CCN1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159158579 831713908 /nfs/dbraw/zinc/71/39/08/831713908.db2.gz PJNLAQSXOCIBSG-OAHLLOKOSA-N 1 3 332.452 -0.575 20 0 EBADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]21 ZINC001159191731 831717380 /nfs/dbraw/zinc/71/73/80/831717380.db2.gz JGFRKVGRAKIMEK-XDQVBPFNSA-N 1 3 341.456 -0.813 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159494005 831756901 /nfs/dbraw/zinc/75/69/01/831756901.db2.gz SKKWMOKSQRRIEV-HIFRSBDPSA-N 1 3 348.451 -0.470 20 0 EBADHO CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001159540642 831759982 /nfs/dbraw/zinc/75/99/82/831759982.db2.gz DFSMEEFXNSCCSP-KEYYUXOJSA-N 1 3 340.468 -0.310 20 0 EBADHO O=C([C@@H]1C[NH2+]CCN1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665997 831770057 /nfs/dbraw/zinc/77/00/57/831770057.db2.gz NPOKSLZBMVIOIY-BBWFWOEESA-N 1 3 345.447 -0.555 20 0 EBADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC[C@H]21 ZINC001159782434 831782546 /nfs/dbraw/zinc/78/25/46/831782546.db2.gz QQSVZQMRYVNMBL-QLFBSQMISA-N 1 3 334.464 -0.099 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001159932973 831799829 /nfs/dbraw/zinc/79/98/29/831799829.db2.gz XEXNZNOMHRFRCB-CQSZACIVSA-N 1 3 339.440 -0.636 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997132 831803078 /nfs/dbraw/zinc/80/30/78/831803078.db2.gz HLKFTGYEXLRGJJ-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003621 831804136 /nfs/dbraw/zinc/80/41/36/831804136.db2.gz XKWLISHLNNBFRI-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001160434939 831850417 /nfs/dbraw/zinc/85/04/17/831850417.db2.gz VIMFORYGMSXXRI-CABCVRRESA-N 1 3 325.457 -0.074 20 0 EBADHO O=C(N1CCN(CCc2ccccn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160482293 831854656 /nfs/dbraw/zinc/85/46/56/831854656.db2.gz FHCZZXKBQDTVOT-VQIMIIECSA-N 1 3 343.475 -0.033 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(CCc2ccncc2)CC1 ZINC001160489832 831856000 /nfs/dbraw/zinc/85/60/00/831856000.db2.gz GDIDRWAJVVTPLG-MRXNPFEDSA-N 1 3 329.448 -0.423 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490833 831856411 /nfs/dbraw/zinc/85/64/11/831856411.db2.gz ZKWJIXDJHBBLMO-HNNXBMFYSA-N 1 3 337.493 -0.213 20 0 EBADHO N[C@H](C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506212 831858164 /nfs/dbraw/zinc/85/81/64/831858164.db2.gz JKXFRQCFMHJOSL-GJZGRUSLSA-N 1 3 338.452 -0.447 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCn2c(Br)cnc2C1 ZINC001160542218 831862305 /nfs/dbraw/zinc/86/23/05/831862305.db2.gz QCSHNVVXZGIOFV-VIFPVBQESA-N 1 3 340.225 -0.203 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652967 831877120 /nfs/dbraw/zinc/87/71/20/831877120.db2.gz SGGINVYBZCRJKP-CBBWQLFWSA-N 1 3 342.484 -0.189 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066888 831919041 /nfs/dbraw/zinc/91/90/41/831919041.db2.gz DAWLWXBTIKUXGO-RYUDHWBXSA-N 1 3 341.437 -0.973 20 0 EBADHO CN(CCN(C)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)Cc1ccccc1 ZINC001161160869 831933775 /nfs/dbraw/zinc/93/37/75/831933775.db2.gz IHDVVNWTOPMCNM-INIZCTEOSA-N 1 3 332.448 -0.093 20 0 EBADHO CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)[C@@H](N)CC(C)C ZINC001161158608 831934010 /nfs/dbraw/zinc/93/40/10/831934010.db2.gz YTLDKZSFUHYWJQ-LBPRGKRZSA-N 1 3 330.429 -0.784 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001161226652 831938344 /nfs/dbraw/zinc/93/83/44/831938344.db2.gz MONTWONVHXFPAS-AWEZNQCLSA-N 1 3 333.473 -0.164 20 0 EBADHO COc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)ccn1 ZINC001161395001 831953496 /nfs/dbraw/zinc/95/34/96/831953496.db2.gz QTTOSSYAGLJIAP-KBPBESRZSA-N 1 3 332.404 -0.121 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCN1 ZINC001161444341 831958073 /nfs/dbraw/zinc/95/80/73/831958073.db2.gz GIYOYQGWVJDCMT-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)Cc1cncn1C)CC2 ZINC001161476279 831962691 /nfs/dbraw/zinc/96/26/91/831962691.db2.gz CJITWBNNRQQUGP-WOSRLPQWSA-N 1 3 335.408 -0.957 20 0 EBADHO CC1([NH3+])CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001350346286 832159042 /nfs/dbraw/zinc/15/90/42/832159042.db2.gz RUZQUMGFJCNXKJ-AWEZNQCLSA-N 1 3 338.452 -0.304 20 0 EBADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001165718468 832234094 /nfs/dbraw/zinc/23/40/94/832234094.db2.gz KTOFOBYXCYELFQ-VXGBXAGGSA-N 1 3 341.456 -0.214 20 0 EBADHO Cc1nnc(NC(=O)CNCCCNC(=O)CC[NH+](C)C)s1 ZINC001165794331 832238276 /nfs/dbraw/zinc/23/82/76/832238276.db2.gz SIYMMZPGKYAAKM-UHFFFAOYSA-N 1 3 328.442 -0.167 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001166010034 832246150 /nfs/dbraw/zinc/24/61/50/832246150.db2.gz FLFGXMALJKEUHU-CQSZACIVSA-N 1 3 341.456 -0.390 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626188 832274814 /nfs/dbraw/zinc/27/48/14/832274814.db2.gz CCEQUIHCRILMPU-HUUCEWRRSA-N 1 3 331.457 -0.410 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627015 832275213 /nfs/dbraw/zinc/27/52/13/832275213.db2.gz NZEAYLCONGWWKV-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001166677227 832279345 /nfs/dbraw/zinc/27/93/45/832279345.db2.gz HNLVNMIRHXUWGR-AWEZNQCLSA-N 1 3 346.497 -0.540 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744549 832286904 /nfs/dbraw/zinc/28/69/04/832286904.db2.gz ZPZGAXCEFRRLMY-UHFFFAOYSA-N 1 3 329.445 -0.484 20 0 EBADHO CS(=O)(=O)N(c1ccc(OCC2CC[NH2+]CC2)nn1)C1CNC1 ZINC001166971495 832304721 /nfs/dbraw/zinc/30/47/21/832304721.db2.gz DSXSGIQQBPDLBL-UHFFFAOYSA-N 1 3 341.437 -0.407 20 0 EBADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1)N(C)C ZINC001167260640 832321891 /nfs/dbraw/zinc/32/18/91/832321891.db2.gz CBEYWNOJWUUIPU-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC001352730748 832361993 /nfs/dbraw/zinc/36/19/93/832361993.db2.gz RGAVBDWGTNASIQ-HZSPNIEDSA-N 1 3 328.457 -0.380 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001168754811 832434302 /nfs/dbraw/zinc/43/43/02/832434302.db2.gz CBTBCPIAXFBCTC-LSDHHAIUSA-N 1 3 333.473 -0.164 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001171204465 832550781 /nfs/dbraw/zinc/55/07/81/832550781.db2.gz AEDGAUSTXCOUMD-UHFFFAOYSA-N 1 3 338.412 -0.911 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001171762362 832574610 /nfs/dbraw/zinc/57/46/10/832574610.db2.gz AYVSMOZLELCDOE-GJZGRUSLSA-N 1 3 333.473 -0.164 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001171758291 832574896 /nfs/dbraw/zinc/57/48/96/832574896.db2.gz VOLPJLXTFUWEEE-GFCCVEGCSA-N 1 3 329.445 -0.342 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001171762616 832574997 /nfs/dbraw/zinc/57/49/97/832574997.db2.gz IDMXCZBZWFALTA-UHFFFAOYSA-N 1 3 343.472 -0.094 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001171762844 832575222 /nfs/dbraw/zinc/57/52/22/832575222.db2.gz NLOOZYIHPHKPQT-CQSZACIVSA-N 1 3 348.513 -0.294 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001171770590 832576061 /nfs/dbraw/zinc/57/60/61/832576061.db2.gz UGFKQWFQTJENSJ-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173572628 832585878 /nfs/dbraw/zinc/58/58/78/832585878.db2.gz RPNFQZAIAKPQPW-RNJOBUHISA-N 1 3 343.424 -0.440 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001174682756 832594157 /nfs/dbraw/zinc/59/41/57/832594157.db2.gz MQHAWZYLCNRZGA-ZDUSSCGKSA-N 1 3 337.424 -0.660 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890451 832701925 /nfs/dbraw/zinc/70/19/25/832701925.db2.gz UIPFIZZAHTXYCK-UHFFFAOYSA-N 1 3 349.435 -0.087 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980653 832723845 /nfs/dbraw/zinc/72/38/45/832723845.db2.gz NPPNCDLBSRYMGV-LBPRGKRZSA-N 1 3 329.445 -0.343 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176992715 832727724 /nfs/dbraw/zinc/72/77/24/832727724.db2.gz YNYQCTAWENDWIO-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001176992782 832727832 /nfs/dbraw/zinc/72/78/32/832727832.db2.gz ZYUALKDEBPWLTF-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179409593 832975518 /nfs/dbraw/zinc/97/55/18/832975518.db2.gz ORISGRZQMJOWFS-CYDGBPFRSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179409593 832975524 /nfs/dbraw/zinc/97/55/24/832975524.db2.gz ORISGRZQMJOWFS-CYDGBPFRSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCO[C@@H](C)C2)CCN1C(=O)CC[NH+](C)C ZINC001179485920 832982173 /nfs/dbraw/zinc/98/21/73/832982173.db2.gz FBYUCKHLAALDGA-KKUMJFAQSA-N 1 3 340.468 -0.236 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179549729 832987244 /nfs/dbraw/zinc/98/72/44/832987244.db2.gz HSWOWNSOQOJOAC-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C)N(C)C ZINC001179554159 832987935 /nfs/dbraw/zinc/98/79/35/832987935.db2.gz SCASGKBFABNLLY-IHRRRGAJSA-N 1 3 348.513 -0.203 20 0 EBADHO C[C@@H](COCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)[NH+]1CCCC1 ZINC001179561943 832988820 /nfs/dbraw/zinc/98/88/20/832988820.db2.gz YSULYJMXXPKHDH-IHRRRGAJSA-N 1 3 326.441 -0.448 20 0 EBADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106294 833901051 /nfs/dbraw/zinc/90/10/51/833901051.db2.gz DPBIGFJBCPRDHO-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001187107270 833901515 /nfs/dbraw/zinc/90/15/15/833901515.db2.gz ZRJQQQQFSHHAAL-TZMCWYRMSA-N 1 3 326.441 -0.578 20 0 EBADHO CN(C(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187106929 833901695 /nfs/dbraw/zinc/90/16/95/833901695.db2.gz QYIPZLOEZYZVTO-CYBMUJFWSA-N 1 3 326.441 -0.624 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001187115948 833902486 /nfs/dbraw/zinc/90/24/86/833902486.db2.gz WDRYAVRBAPMIDB-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187232536 833912454 /nfs/dbraw/zinc/91/24/54/833912454.db2.gz ZIXXWJPWFGLHPK-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817876 833969823 /nfs/dbraw/zinc/96/98/23/833969823.db2.gz KTELPRBKBWMUGC-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187817876 833969827 /nfs/dbraw/zinc/96/98/27/833969827.db2.gz KTELPRBKBWMUGC-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccnc3)C2)C1 ZINC001187817190 833970098 /nfs/dbraw/zinc/97/00/98/833970098.db2.gz BCAWOYPHZBNGQH-JKSUJKDBSA-N 1 3 345.447 -0.160 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccnc3)C2)C1 ZINC001187817190 833970102 /nfs/dbraw/zinc/97/01/02/833970102.db2.gz BCAWOYPHZBNGQH-JKSUJKDBSA-N 1 3 345.447 -0.160 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825459 833971029 /nfs/dbraw/zinc/97/10/29/833971029.db2.gz MEEULTOCHJIJOZ-CHWSQXEVSA-N 1 3 332.470 -0.932 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825459 833971036 /nfs/dbraw/zinc/97/10/36/833971036.db2.gz MEEULTOCHJIJOZ-CHWSQXEVSA-N 1 3 332.470 -0.932 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001188157974 834015105 /nfs/dbraw/zinc/01/51/05/834015105.db2.gz BGDSKHRQCFUJLA-CQSZACIVSA-N 1 3 348.513 -0.201 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158545 834018194 /nfs/dbraw/zinc/01/81/94/834018194.db2.gz SOACFSDCGBUPIV-CYBMUJFWSA-N 1 3 334.486 -0.544 20 0 EBADHO CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038320 835004562 /nfs/dbraw/zinc/00/45/62/835004562.db2.gz JSEGNVKEAMUSTR-INIZCTEOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC(=O)NCCOCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038320 835004572 /nfs/dbraw/zinc/00/45/72/835004572.db2.gz JSEGNVKEAMUSTR-INIZCTEOSA-N 1 3 340.468 -0.232 20 0 EBADHO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430772 835103188 /nfs/dbraw/zinc/10/31/88/835103188.db2.gz MFVYACHBVPKWST-RRFJBIMHSA-N 1 3 334.376 -0.884 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001197826420 835613856 /nfs/dbraw/zinc/61/38/56/835613856.db2.gz WPRXLOSACQGVHW-RBSFLKMASA-N 1 3 329.441 -0.848 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001197826421 835614115 /nfs/dbraw/zinc/61/41/15/835614115.db2.gz WPRXLOSACQGVHW-RRFJBIMHSA-N 1 3 329.441 -0.848 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480243 835973222 /nfs/dbraw/zinc/97/32/22/835973222.db2.gz YLVCLUDBLYEIOY-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480243 835973228 /nfs/dbraw/zinc/97/32/28/835973228.db2.gz YLVCLUDBLYEIOY-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)(C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+]1CCCCC1 ZINC001200509180 835977131 /nfs/dbraw/zinc/97/71/31/835977131.db2.gz FNXTVDVGAAQJAB-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529515 835980510 /nfs/dbraw/zinc/98/05/10/835980510.db2.gz WGCLBJXKNNUICD-LSDHHAIUSA-N 1 3 338.452 -0.719 20 0 EBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001200658497 836010539 /nfs/dbraw/zinc/01/05/39/836010539.db2.gz OPUPPVXIWCBISG-CABCVRRESA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001200658501 836011084 /nfs/dbraw/zinc/01/10/84/836011084.db2.gz OPUPPVXIWCBISG-HUUCEWRRSA-N 1 3 338.452 -0.482 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688213 836014332 /nfs/dbraw/zinc/01/43/32/836014332.db2.gz LUTBGTCCSICDMG-ZFWWWQNUSA-N 1 3 326.441 -0.720 20 0 EBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688811 836016949 /nfs/dbraw/zinc/01/69/49/836016949.db2.gz WNHMDMSPYVORAM-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)C1CC1 ZINC001200688633 836017046 /nfs/dbraw/zinc/01/70/46/836017046.db2.gz SNXNNKFILXILCX-JKSUJKDBSA-N 1 3 343.468 -0.457 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200688770 836017233 /nfs/dbraw/zinc/01/72/33/836017233.db2.gz VUUKDYUIDNNSLD-CABCVRRESA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200688770 836017246 /nfs/dbraw/zinc/01/72/46/836017246.db2.gz VUUKDYUIDNNSLD-CABCVRRESA-N 1 3 340.468 -0.058 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001200851258 836047706 /nfs/dbraw/zinc/04/77/06/836047706.db2.gz MKTRRTSATWOYFY-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001200851258 836047719 /nfs/dbraw/zinc/04/77/19/836047719.db2.gz MKTRRTSATWOYFY-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1)C1CC1 ZINC001201052470 836085944 /nfs/dbraw/zinc/08/59/44/836085944.db2.gz FWNCXTYEQDGYLH-AWEZNQCLSA-N 1 3 331.482 -0.048 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201065961 836087723 /nfs/dbraw/zinc/08/77/23/836087723.db2.gz CWZUFLUGJSIKLL-UHFFFAOYSA-N 1 3 339.440 -0.493 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001201226157 836112710 /nfs/dbraw/zinc/11/27/10/836112710.db2.gz VJAPHMYWQWQAHM-LSDHHAIUSA-N 1 3 340.468 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001201226157 836112713 /nfs/dbraw/zinc/11/27/13/836112713.db2.gz VJAPHMYWQWQAHM-LSDHHAIUSA-N 1 3 340.468 -0.199 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201226155 836112951 /nfs/dbraw/zinc/11/29/51/836112951.db2.gz VJAPHMYWQWQAHM-GJZGRUSLSA-N 1 3 340.468 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201226155 836112956 /nfs/dbraw/zinc/11/29/56/836112956.db2.gz VJAPHMYWQWQAHM-GJZGRUSLSA-N 1 3 340.468 -0.199 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC)CC1)N(C)C ZINC001201238983 836115561 /nfs/dbraw/zinc/11/55/61/836115561.db2.gz FTPPTKBXTXSTHM-WCQYABFASA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246421 836118113 /nfs/dbraw/zinc/11/81/13/836118113.db2.gz SUXUZQNWOPVOGO-SOUVJXGZSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246421 836118117 /nfs/dbraw/zinc/11/81/17/836118117.db2.gz SUXUZQNWOPVOGO-SOUVJXGZSA-N 1 3 340.468 -0.330 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201308763 836127097 /nfs/dbraw/zinc/12/70/97/836127097.db2.gz CWBYCKMNURGHSS-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN1CC[C@@H](NC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335406 836130991 /nfs/dbraw/zinc/13/09/91/836130991.db2.gz OBYYTLAQQDFNOB-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343422 836132108 /nfs/dbraw/zinc/13/21/08/836132108.db2.gz GGEUTDXNGGTSQQ-UKRRQHHQSA-N 1 3 328.457 -0.474 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@H]2C)CCCO1 ZINC001201402128 836139816 /nfs/dbraw/zinc/13/98/16/836139816.db2.gz BCUZZGDDHKWRMS-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403084 836141259 /nfs/dbraw/zinc/14/12/59/836141259.db2.gz HMXFUKYUIMFMMF-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001201410183 836141974 /nfs/dbraw/zinc/14/19/74/836141974.db2.gz CJQUKANAVZKAKK-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201678796 836174507 /nfs/dbraw/zinc/17/45/07/836174507.db2.gz OWQTVGNPTWDUEM-OAHLLOKOSA-N 1 3 338.456 -0.173 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001201800075 836193559 /nfs/dbraw/zinc/19/35/59/836193559.db2.gz CADJEGZDVNEGAZ-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001201800075 836193563 /nfs/dbraw/zinc/19/35/63/836193563.db2.gz CADJEGZDVNEGAZ-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H](C)C(=O)NC)C1 ZINC001201808202 836195061 /nfs/dbraw/zinc/19/50/61/836195061.db2.gz BLVQHYGPVFMITQ-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H](C)C(=O)NC)C1 ZINC001201808202 836195068 /nfs/dbraw/zinc/19/50/68/836195068.db2.gz BLVQHYGPVFMITQ-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@@H](NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201864477 836209225 /nfs/dbraw/zinc/20/92/25/836209225.db2.gz XVKBCJGMODBNMW-ZIAGYGMSSA-N 1 3 344.456 -0.964 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001201931988 836218366 /nfs/dbraw/zinc/21/83/66/836218366.db2.gz QBFTXAQZISUIDQ-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057150 836242958 /nfs/dbraw/zinc/24/29/58/836242958.db2.gz CWVCLATWPHQVSE-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057150 836242972 /nfs/dbraw/zinc/24/29/72/836242972.db2.gz CWVCLATWPHQVSE-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202058609 836244396 /nfs/dbraw/zinc/24/43/96/836244396.db2.gz LNCBUVFHYCKAQD-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202058609 836244413 /nfs/dbraw/zinc/24/44/13/836244413.db2.gz LNCBUVFHYCKAQD-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202133368 836259146 /nfs/dbraw/zinc/25/91/46/836259146.db2.gz FNTXKIJWBNVKAQ-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162905 836265143 /nfs/dbraw/zinc/26/51/43/836265143.db2.gz BKNGEIGXACRLOM-LSDHHAIUSA-N 1 3 331.457 -0.459 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666797 836331975 /nfs/dbraw/zinc/33/19/75/836331975.db2.gz BRTSLIMJVGCZQV-HNNXBMFYSA-N 1 3 340.424 -0.443 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001202668733 836333733 /nfs/dbraw/zinc/33/37/33/836333733.db2.gz VHWMEWCGOSFYPR-UHFFFAOYSA-N 1 3 348.407 -0.525 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001203456434 836433857 /nfs/dbraw/zinc/43/38/57/836433857.db2.gz YNXUKSJSXQREQA-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(=O)NC(N)=O ZINC001203713595 836466237 /nfs/dbraw/zinc/46/62/37/836466237.db2.gz ACWRRZANIDQYCK-NSHDSACASA-N 1 3 325.413 -0.754 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001203925664 836488677 /nfs/dbraw/zinc/48/86/77/836488677.db2.gz UJGRYRRNSRXWQB-UHFFFAOYSA-N 1 3 339.440 -0.541 20 0 EBADHO O=C(C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)N1CCOCC1 ZINC001206401975 836645861 /nfs/dbraw/zinc/64/58/61/836645861.db2.gz INWDNTVKFIVJEP-UHFFFAOYSA-N 1 3 349.435 -0.361 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206403045 836645938 /nfs/dbraw/zinc/64/59/38/836645938.db2.gz QHGLMJHQHSJQDZ-UHFFFAOYSA-N 1 3 336.396 -0.764 20 0 EBADHO C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)NC(N)=O ZINC001206409450 836646661 /nfs/dbraw/zinc/64/66/61/836646661.db2.gz GPBVEQPZVMGPIY-SNVBAGLBSA-N 1 3 336.396 -0.636 20 0 EBADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)C(=O)NC(N)=O ZINC001206928752 836715898 /nfs/dbraw/zinc/71/58/98/836715898.db2.gz HVSSVYGBCOQVGZ-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688737 836844632 /nfs/dbraw/zinc/84/46/32/836844632.db2.gz RYQYGSPCZAEFIQ-VXGBXAGGSA-N 1 3 325.413 -0.883 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208014639 836922200 /nfs/dbraw/zinc/92/22/00/836922200.db2.gz RVNSMRFMQDDJBU-QWHCGFSZSA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208014639 836922210 /nfs/dbraw/zinc/92/22/10/836922210.db2.gz RVNSMRFMQDDJBU-QWHCGFSZSA-N 1 3 339.440 -0.365 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208357893 837004990 /nfs/dbraw/zinc/00/49/90/837004990.db2.gz DLTNZPJOESYZMS-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208357893 837004999 /nfs/dbraw/zinc/00/49/99/837004999.db2.gz DLTNZPJOESYZMS-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1)[NH+](C)C ZINC001208373518 837012567 /nfs/dbraw/zinc/01/25/67/837012567.db2.gz KBEUPGBUYKEFNR-AAEUAGOBSA-N 1 3 327.429 -0.652 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001208414425 837026652 /nfs/dbraw/zinc/02/66/52/837026652.db2.gz PFMRNHFQYGHIFA-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491412 837065754 /nfs/dbraw/zinc/06/57/54/837065754.db2.gz ILCBJSZHEVJTEF-LBPRGKRZSA-N 1 3 337.424 -0.610 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313701 837153876 /nfs/dbraw/zinc/15/38/76/837153876.db2.gz GCUAXSYPIDQHFM-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001209408031 837164754 /nfs/dbraw/zinc/16/47/54/837164754.db2.gz IPHLWVJDQLFSEQ-GFCCVEGCSA-N 1 3 325.413 -0.896 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643675 837185787 /nfs/dbraw/zinc/18/57/87/837185787.db2.gz VFWQHOZJHDTWHB-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001209669798 837188530 /nfs/dbraw/zinc/18/85/30/837188530.db2.gz UOTLUPYOUBKEOE-KBPBESRZSA-N 1 3 348.513 -0.154 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001209669781 837188575 /nfs/dbraw/zinc/18/85/75/837188575.db2.gz UHHRUKYUILXCQZ-OLZOCXBDSA-N 1 3 334.486 -0.544 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001209670307 837188859 /nfs/dbraw/zinc/18/88/59/837188859.db2.gz YBWKNLILQPRCON-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H](COCC(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001209714665 837194071 /nfs/dbraw/zinc/19/40/71/837194071.db2.gz ADERBVTWNGYOHY-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210220806 837256586 /nfs/dbraw/zinc/25/65/86/837256586.db2.gz WXWUTBVSFRWVLW-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210221329 837257025 /nfs/dbraw/zinc/25/70/25/837257025.db2.gz ZSAMIHZKLAJNOI-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001210493015 837289725 /nfs/dbraw/zinc/28/97/25/837289725.db2.gz HOYIWTSGBYEJIT-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001210493015 837289738 /nfs/dbraw/zinc/28/97/38/837289738.db2.gz HOYIWTSGBYEJIT-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685084 837320655 /nfs/dbraw/zinc/32/06/55/837320655.db2.gz MTYJQEWEURFWCU-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001210784284 837332276 /nfs/dbraw/zinc/33/22/76/837332276.db2.gz XOTUUOAHSWPMCX-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001210784284 837332285 /nfs/dbraw/zinc/33/22/85/837332285.db2.gz XOTUUOAHSWPMCX-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064843 837379462 /nfs/dbraw/zinc/37/94/62/837379462.db2.gz RCNFLANTNPLYJA-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064843 837379468 /nfs/dbraw/zinc/37/94/68/837379468.db2.gz RCNFLANTNPLYJA-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001319716601 838171124 /nfs/dbraw/zinc/17/11/24/838171124.db2.gz IOLFSIWPHFJDFZ-CABCVRRESA-N 1 3 337.468 -0.114 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001321416206 838987049 /nfs/dbraw/zinc/98/70/49/838987049.db2.gz HGRMGXAYVRUOLA-DDGIKZQJSA-N 1 3 336.436 -0.070 20 0 EBADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418026 838988036 /nfs/dbraw/zinc/98/80/36/838988036.db2.gz XHZIYWDYHBGQFZ-ITDFMYJTSA-N 1 3 339.440 -0.292 20 0 EBADHO CCS(=O)(=O)NCCNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321848352 839086729 /nfs/dbraw/zinc/08/67/29/839086729.db2.gz HDQZCHVUKYCSRJ-YNEHKIRRSA-N 1 3 334.486 -0.640 20 0 EBADHO CCS(=O)(=O)NCCNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001321848352 839086739 /nfs/dbraw/zinc/08/67/39/839086739.db2.gz HDQZCHVUKYCSRJ-YNEHKIRRSA-N 1 3 334.486 -0.640 20 0 EBADHO Cc1nccn1CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322942441 839302949 /nfs/dbraw/zinc/30/29/49/839302949.db2.gz MQTCPSPXVNYUNP-AWEZNQCLSA-N 1 3 336.440 -0.940 20 0 EBADHO Cc1nccn1CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001322942441 839302964 /nfs/dbraw/zinc/30/29/64/839302964.db2.gz MQTCPSPXVNYUNP-AWEZNQCLSA-N 1 3 336.440 -0.940 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1 ZINC001324098646 839591632 /nfs/dbraw/zinc/59/16/32/839591632.db2.gz SJWGNCKBHCFOMP-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001324237788 839613482 /nfs/dbraw/zinc/61/34/82/839613482.db2.gz UPJZRLYBBGRBOS-CYBMUJFWSA-N 1 3 333.392 -0.318 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C)(CO)CC1 ZINC001324880584 839730921 /nfs/dbraw/zinc/73/09/21/839730921.db2.gz JEMDANKSFCALIP-UHFFFAOYSA-N 1 3 342.484 -0.441 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNCc2cccc(C(N)=O)c2)C1 ZINC001326146338 840048690 /nfs/dbraw/zinc/04/86/90/840048690.db2.gz KEFLKLYUJULKDX-INIZCTEOSA-N 1 3 348.447 -0.352 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNCc2cccc(C(N)=O)c2)C1 ZINC001326146338 840048701 /nfs/dbraw/zinc/04/87/01/840048701.db2.gz KEFLKLYUJULKDX-INIZCTEOSA-N 1 3 348.447 -0.352 20 0 EBADHO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)CN1CCN(C)CC1 ZINC001326340419 840087696 /nfs/dbraw/zinc/08/76/96/840087696.db2.gz JTKIMUDSTVHMRD-AWEZNQCLSA-N 1 3 337.472 -0.370 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)CN1CCN(C)CC1 ZINC001326600820 840147092 /nfs/dbraw/zinc/14/70/92/840147092.db2.gz DUPPSAAIFYOFAP-CQSZACIVSA-N 1 3 339.484 -0.769 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@H]2CCC(=O)NC2=O)C1 ZINC001327259129 840344118 /nfs/dbraw/zinc/34/41/18/840344118.db2.gz ZXKKPTYDBDTJPN-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@H]2CCC(=O)NC2=O)C1 ZINC001327259129 840344125 /nfs/dbraw/zinc/34/41/25/840344125.db2.gz ZXKKPTYDBDTJPN-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001328745283 840739628 /nfs/dbraw/zinc/73/96/28/840739628.db2.gz DLOPPJGYCIUGCQ-XQLPTFJDSA-N 1 3 338.452 -0.401 20 0 EBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001328745280 840740184 /nfs/dbraw/zinc/74/01/84/840740184.db2.gz DLOPPJGYCIUGCQ-AJNGGQMLSA-N 1 3 338.452 -0.401 20 0 EBADHO O=C(NC[C@H]1COCCN1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001329047271 840825217 /nfs/dbraw/zinc/82/52/17/840825217.db2.gz HDODLCZAATWMRU-LBPRGKRZSA-N 1 3 330.348 -0.690 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001329511984 840943889 /nfs/dbraw/zinc/94/38/89/840943889.db2.gz GOCASGCXNAQPTC-AWEZNQCLSA-N 1 3 344.375 -0.611 20 0 EBADHO C[C@H]([NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001329773250 841014620 /nfs/dbraw/zinc/01/46/20/841014620.db2.gz ISWMJYYKJZPMIJ-ZFWWWQNUSA-N 1 3 340.468 -0.058 20 0 EBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001329841381 841038548 /nfs/dbraw/zinc/03/85/48/841038548.db2.gz DQXXUIPPGSBPTK-JSGCOSHPSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001330657091 841253478 /nfs/dbraw/zinc/25/34/78/841253478.db2.gz VKNGNHKBIOZEGF-IHRRRGAJSA-N 1 3 346.497 -0.638 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001331642430 841447766 /nfs/dbraw/zinc/44/77/66/841447766.db2.gz BDMKJKBQILKHLU-GFCCVEGCSA-N 1 3 327.429 -0.685 20 0 EBADHO CN(C)C1(C(=O)N(C)CCOCC[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001333222046 841823549 /nfs/dbraw/zinc/82/35/49/841823549.db2.gz CMTRMUQGUDPQRY-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC001333883095 841960790 /nfs/dbraw/zinc/96/07/90/841960790.db2.gz GKKPDQPUCVTXBJ-XHSDSOJGSA-N 1 3 330.432 -0.152 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)C[C@@H]21 ZINC001334826768 842137443 /nfs/dbraw/zinc/13/74/43/842137443.db2.gz IMWZDYHALVMSDT-WYUUTHIRSA-N 1 3 348.369 -0.113 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC001334920534 842149118 /nfs/dbraw/zinc/14/91/18/842149118.db2.gz VEOPTEACOJWPMD-UHFFFAOYSA-N 1 3 325.501 -0.378 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC001334920534 842149124 /nfs/dbraw/zinc/14/91/24/842149124.db2.gz VEOPTEACOJWPMD-UHFFFAOYSA-N 1 3 325.501 -0.378 20 0 EBADHO O[C@@H](C[NH2+]CCN1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC001335317549 842259049 /nfs/dbraw/zinc/25/90/49/842259049.db2.gz OFKQHVKLULGKNT-INIZCTEOSA-N 1 3 334.468 -0.355 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC001335795204 842355409 /nfs/dbraw/zinc/35/54/09/842355409.db2.gz SRQNPYIYAKLDFQ-HNNXBMFYSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001340215210 842982479 /nfs/dbraw/zinc/98/24/79/842982479.db2.gz UMFJGXADTBBFQO-UHFFFAOYSA-N 1 3 339.484 -0.707 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)CN1CCN(C)CC1 ZINC001343451768 843238281 /nfs/dbraw/zinc/23/82/81/843238281.db2.gz GJGWURNSNYBPFD-CABCVRRESA-N 1 3 339.484 -0.817 20 0 EBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001347085325 843589901 /nfs/dbraw/zinc/58/99/01/843589901.db2.gz IOADOKPLSUTFTK-TVIZTDCDSA-N 1 3 336.436 -0.694 20 0 EBADHO CCN1CCN(CCCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001349078224 843810518 /nfs/dbraw/zinc/81/05/18/843810518.db2.gz YGYOWBQKKKBZHL-UHFFFAOYSA-N 1 3 337.472 -0.226 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001691166259 1125840213 /nfs/dbraw/zinc/84/02/13/1125840213.db2.gz PPGLWYCSVFFRMC-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001691166259 1125840214 /nfs/dbraw/zinc/84/02/14/1125840214.db2.gz PPGLWYCSVFFRMC-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001691178150 1125841399 /nfs/dbraw/zinc/84/13/99/1125841399.db2.gz NVEJFKOYWNHUNE-PWNZVWSESA-N 1 3 338.452 -0.138 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001691360061 1125854141 /nfs/dbraw/zinc/85/41/41/1125854141.db2.gz MWRPNMZKDBUVFK-UHFFFAOYSA-N 1 3 339.440 -0.634 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001481269207 1125958721 /nfs/dbraw/zinc/95/87/21/1125958721.db2.gz CQBRHLIOWMRKRD-UONOGXRCSA-N 1 3 338.452 -0.038 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001481269207 1125958723 /nfs/dbraw/zinc/95/87/23/1125958723.db2.gz CQBRHLIOWMRKRD-UONOGXRCSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@@H](NCCN(C)C(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001481299753 1125968681 /nfs/dbraw/zinc/96/86/81/1125968681.db2.gz XTMMMRJVNVKELN-CYBMUJFWSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001481299355 1125968696 /nfs/dbraw/zinc/96/86/96/1125968696.db2.gz SHTJYSBEUVHJFG-AWEZNQCLSA-N 1 3 326.441 -0.624 20 0 EBADHO COCCOC[C@@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001481705212 1126042804 /nfs/dbraw/zinc/04/28/04/1126042804.db2.gz JGQOVIIBJPAWIG-CVEARBPZSA-N 1 3 343.468 -0.457 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)NC(=O)NC ZINC001481814309 1126058274 /nfs/dbraw/zinc/05/82/74/1126058274.db2.gz UHZVPAKOQJGUCN-RWMBFGLXSA-N 1 3 341.456 -0.343 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)NC(=O)NC ZINC001481814309 1126058276 /nfs/dbraw/zinc/05/82/76/1126058276.db2.gz UHZVPAKOQJGUCN-RWMBFGLXSA-N 1 3 341.456 -0.343 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873528 1126063783 /nfs/dbraw/zinc/06/37/83/1126063783.db2.gz AQOQHMGLZGEXRP-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873528 1126063784 /nfs/dbraw/zinc/06/37/84/1126063784.db2.gz AQOQHMGLZGEXRP-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001482368459 1126139954 /nfs/dbraw/zinc/13/99/54/1126139954.db2.gz HASSHFNAYIICAA-GFCCVEGCSA-N 1 3 329.445 -0.391 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001482368460 1126140022 /nfs/dbraw/zinc/14/00/22/1126140022.db2.gz HASSHFNAYIICAA-LBPRGKRZSA-N 1 3 329.445 -0.391 20 0 EBADHO CN(CCC1CCN(C(=O)CC[NH+](C)C)CC1)CC(=O)NC(N)=O ZINC001482506724 1126186578 /nfs/dbraw/zinc/18/65/78/1126186578.db2.gz JPEYUYQPWLNYSG-UHFFFAOYSA-N 1 3 341.456 -0.307 20 0 EBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730079 1126268959 /nfs/dbraw/zinc/26/89/59/1126268959.db2.gz SLFQFGKZFBFZKJ-CVEARBPZSA-N 1 3 333.436 -0.306 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001482888380 1126300570 /nfs/dbraw/zinc/30/05/70/1126300570.db2.gz KCYCDSXCFSUWKI-DGCLKSJQSA-N 1 3 329.445 -0.487 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCCNS(C)(=O)=O)CC[N@@H+]1C ZINC001483007528 1126312061 /nfs/dbraw/zinc/31/20/61/1126312061.db2.gz AZUXOLQVDCPRNN-IJWDBEHRSA-N 1 3 332.470 -0.862 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCCNS(C)(=O)=O)CC[N@H+]1C ZINC001483007528 1126312062 /nfs/dbraw/zinc/31/20/62/1126312062.db2.gz AZUXOLQVDCPRNN-IJWDBEHRSA-N 1 3 332.470 -0.862 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001483014936 1126312617 /nfs/dbraw/zinc/31/26/17/1126312617.db2.gz CAFFAQXLSIOOIS-QITAHTHBSA-N 1 3 339.440 -0.294 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001483014936 1126312618 /nfs/dbraw/zinc/31/26/18/1126312618.db2.gz CAFFAQXLSIOOIS-QITAHTHBSA-N 1 3 339.440 -0.294 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001483196457 1126352859 /nfs/dbraw/zinc/35/28/59/1126352859.db2.gz IVTLKIUWCACMPA-CHWSQXEVSA-N 1 3 341.456 -0.070 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483234529 1126369092 /nfs/dbraw/zinc/36/90/92/1126369092.db2.gz SMWBRVAHFGWJDM-NWDGAFQWSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001483266348 1126412097 /nfs/dbraw/zinc/41/20/97/1126412097.db2.gz INJCQXGNKFIRLO-OLZOCXBDSA-N 1 3 334.486 -0.686 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC[C@H]1CCOC1 ZINC001483942528 1126491631 /nfs/dbraw/zinc/49/16/31/1126491631.db2.gz JYRLNVGIURKMJW-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCOCC1 ZINC001484183455 1126513421 /nfs/dbraw/zinc/51/34/21/1126513421.db2.gz HSYKSERDGLDAOK-UHFFFAOYSA-N 1 3 326.441 -0.528 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001484234310 1126534029 /nfs/dbraw/zinc/53/40/29/1126534029.db2.gz BEAWIVFJKJDINA-WMLDXEAASA-N 1 3 345.484 -0.475 20 0 EBADHO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001484234310 1126534030 /nfs/dbraw/zinc/53/40/30/1126534030.db2.gz BEAWIVFJKJDINA-WMLDXEAASA-N 1 3 345.484 -0.475 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484682826 1126620755 /nfs/dbraw/zinc/62/07/55/1126620755.db2.gz VVEPOHRUCFNBBF-UONOGXRCSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484682826 1126620757 /nfs/dbraw/zinc/62/07/57/1126620757.db2.gz VVEPOHRUCFNBBF-UONOGXRCSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCO[C@H](CN[C@H]3CCCNC3=O)C2)CC1 ZINC001484686131 1126621673 /nfs/dbraw/zinc/62/16/73/1126621673.db2.gz PENBUHPDGCWQLR-KGLIPLIRSA-N 1 3 338.452 -0.576 20 0 EBADHO CC(C)[C@H](C(=O)N1CCO[C@H](CNCC(=O)NC2CC2)C1)[NH+](C)C ZINC001484687150 1126621870 /nfs/dbraw/zinc/62/18/70/1126621870.db2.gz FQAYHAMJUWVEHK-GDBMZVCRSA-N 1 3 340.468 -0.332 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001484699362 1126622483 /nfs/dbraw/zinc/62/24/83/1126622483.db2.gz OQNHSGKBJNCWFK-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CN1CC[C@H](NC[C@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695205 1126624425 /nfs/dbraw/zinc/62/44/25/1126624425.db2.gz ABZBOQKNSZGRDN-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001484697855 1126624892 /nfs/dbraw/zinc/62/48/92/1126624892.db2.gz YJSLSBMZHJMQOY-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484903992 1126651768 /nfs/dbraw/zinc/65/17/68/1126651768.db2.gz OTAAYXZPNOVCAB-STQMWFEESA-N 1 3 339.440 -0.650 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001484954862 1126658341 /nfs/dbraw/zinc/65/83/41/1126658341.db2.gz VWDRFXCWJISJCE-ZDUSSCGKSA-N 1 3 340.468 -0.452 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(OCCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001485444466 1126717391 /nfs/dbraw/zinc/71/73/91/1126717391.db2.gz KQNOPSBOXDLANH-OAHLLOKOSA-N 1 3 349.435 -0.172 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001649048072 1126864938 /nfs/dbraw/zinc/86/49/38/1126864938.db2.gz LOKQMAOHJKJJDG-OSFYFWSMSA-N 1 3 327.450 -0.827 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485908187 1126912635 /nfs/dbraw/zinc/91/26/35/1126912635.db2.gz MSYAHSAIDLSLEZ-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@H](CO)NC[C@@H]1COc2ccccc2O1 ZINC001486031142 1127001678 /nfs/dbraw/zinc/00/16/78/1127001678.db2.gz OWCBISHGMDVYQC-ZIAGYGMSSA-N 1 3 337.420 -0.155 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133364 1127044309 /nfs/dbraw/zinc/04/43/09/1127044309.db2.gz BJXVPNDPNLUHDT-QWHCGFSZSA-N 1 3 341.456 -0.249 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219187 1127063739 /nfs/dbraw/zinc/06/37/39/1127063739.db2.gz RNFQUNDKNGYFQR-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1)N(C)C ZINC001280488024 1127274242 /nfs/dbraw/zinc/27/42/42/1127274242.db2.gz LHTOOZKTHKENKA-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410113183 1127577622 /nfs/dbraw/zinc/57/76/22/1127577622.db2.gz QIPVGFNSSPMPOD-KBPBESRZSA-N 1 3 349.435 -0.804 20 0 EBADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392581 1127699461 /nfs/dbraw/zinc/69/94/61/1127699461.db2.gz ZSXCJAFGBRUHPC-OLZOCXBDSA-N 1 3 338.456 -0.371 20 0 EBADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC(N)=O ZINC001410496161 1127729227 /nfs/dbraw/zinc/72/92/27/1127729227.db2.gz CNNLMLLIFRGGRI-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001410505201 1127730740 /nfs/dbraw/zinc/73/07/40/1127730740.db2.gz NFUAQJJMKSRPKI-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512606 1127731956 /nfs/dbraw/zinc/73/19/56/1127731956.db2.gz OCLKPQCFNDBEDN-GXTWGEPZSA-N 1 3 341.456 -0.262 20 0 EBADHO CN(CC1CC1)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001410690977 1127814841 /nfs/dbraw/zinc/81/48/41/1127814841.db2.gz ZZSHTWVRBYIKJS-HUUCEWRRSA-N 1 3 340.468 -0.594 20 0 EBADHO Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001410709034 1127831727 /nfs/dbraw/zinc/83/17/27/1127831727.db2.gz QSLWKLAEQIAXCZ-AWEZNQCLSA-N 1 3 337.468 -0.096 20 0 EBADHO CN1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC001410713846 1127834151 /nfs/dbraw/zinc/83/41/51/1127834151.db2.gz UDUDWPONUJXVPQ-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO Cc1nc(C)n(CCN[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001410758984 1127870557 /nfs/dbraw/zinc/87/05/57/1127870557.db2.gz XFRRFXACAXSGTM-CABCVRRESA-N 1 3 338.456 -0.697 20 0 EBADHO Cc1nc(C)n(CCN[C@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001410758984 1127870561 /nfs/dbraw/zinc/87/05/61/1127870561.db2.gz XFRRFXACAXSGTM-CABCVRRESA-N 1 3 338.456 -0.697 20 0 EBADHO C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001410827265 1127908874 /nfs/dbraw/zinc/90/88/74/1127908874.db2.gz YQQNSXXJMJIRNO-CMPLNLGQSA-N 1 3 325.413 -0.755 20 0 EBADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001092838932 1128278761 /nfs/dbraw/zinc/27/87/61/1128278761.db2.gz YZMRUWAMTXKIHI-MYPHYYIGSA-N 1 3 337.464 -0.084 20 0 EBADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001092838932 1128278763 /nfs/dbraw/zinc/27/87/63/1128278763.db2.gz YZMRUWAMTXKIHI-MYPHYYIGSA-N 1 3 337.464 -0.084 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093289367 1128317611 /nfs/dbraw/zinc/31/76/11/1128317611.db2.gz YJYVVUDRAVWONV-BZPMIXESSA-N 1 3 347.419 -0.168 20 0 EBADHO C[C@H]([NH2+]C1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)CCO2)C(N)=O ZINC001093406688 1128339132 /nfs/dbraw/zinc/33/91/32/1128339132.db2.gz HIJQXKYFBJZCCK-POZPTJLLSA-N 1 3 349.435 -0.044 20 0 EBADHO CN(C)C1(C(=O)N[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001488029991 1128571179 /nfs/dbraw/zinc/57/11/79/1128571179.db2.gz NWFDPJMEKLRRJZ-CQSZACIVSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)Cc1c[nH]cn1 ZINC001488414295 1128748485 /nfs/dbraw/zinc/74/84/85/1128748485.db2.gz TXJPWQLYAZPSNU-CQSZACIVSA-N 1 3 337.424 -0.771 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001412444805 1129530187 /nfs/dbraw/zinc/53/01/87/1129530187.db2.gz CIEZHBJJJVMCKC-ZIAGYGMSSA-N 1 3 331.482 -0.381 20 0 EBADHO CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)C(C)(C)N1CCCC1 ZINC001413284549 1129989543 /nfs/dbraw/zinc/98/95/43/1129989543.db2.gz DEXPNKGEJNCHGP-CQSZACIVSA-N 1 3 342.484 -0.252 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001491023889 1130294770 /nfs/dbraw/zinc/29/47/70/1130294770.db2.gz WCHNWFVVPYXYQJ-YVECIDJPSA-N 1 3 342.415 -0.292 20 0 EBADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001491079089 1130313856 /nfs/dbraw/zinc/31/38/56/1130313856.db2.gz GTTYHBINBAUYAM-MCIONIFRSA-N 1 3 348.451 -0.144 20 0 EBADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n(C)n1 ZINC001491079089 1130313864 /nfs/dbraw/zinc/31/38/64/1130313864.db2.gz GTTYHBINBAUYAM-MCIONIFRSA-N 1 3 348.451 -0.144 20 0 EBADHO COC1CCN(CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357428916 1131087368 /nfs/dbraw/zinc/08/73/68/1131087368.db2.gz SXIRMWYOWNQCSA-CQSZACIVSA-N 1 3 326.441 -0.589 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001357502710 1131096971 /nfs/dbraw/zinc/09/69/71/1131096971.db2.gz FBVUIIAKWZKNLU-OAHLLOKOSA-N 1 3 339.484 -0.720 20 0 EBADHO C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC001363239954 1131844701 /nfs/dbraw/zinc/84/47/01/1131844701.db2.gz DCCBATVUHJHWLR-BFHYXJOUSA-N 1 3 333.498 -0.135 20 0 EBADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001365863663 1132840532 /nfs/dbraw/zinc/84/05/32/1132840532.db2.gz RQQUYIAMZDFYBH-HZSPNIEDSA-N 1 3 328.457 -0.474 20 0 EBADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001365882626 1132860949 /nfs/dbraw/zinc/86/09/49/1132860949.db2.gz FYTFHQJEIMJQQV-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)N(C)C ZINC001366061143 1132986055 /nfs/dbraw/zinc/98/60/55/1132986055.db2.gz LGOPKQWYNYNSDJ-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO CN(CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)C1CCC1 ZINC001366090905 1132998022 /nfs/dbraw/zinc/99/80/22/1132998022.db2.gz FPSXFBFGHCQTIY-ZDUSSCGKSA-N 1 3 346.497 -0.447 20 0 EBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366287347 1133085066 /nfs/dbraw/zinc/08/50/66/1133085066.db2.gz NUJFUOYWCJEBAM-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366375739 1133117474 /nfs/dbraw/zinc/11/74/74/1133117474.db2.gz AKOICZJVZVVFGP-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583498 1133196981 /nfs/dbraw/zinc/19/69/81/1133196981.db2.gz LZGCLJQYEFSCQK-KGLIPLIRSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583498 1133196984 /nfs/dbraw/zinc/19/69/84/1133196984.db2.gz LZGCLJQYEFSCQK-KGLIPLIRSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703988 1133262769 /nfs/dbraw/zinc/26/27/69/1133262769.db2.gz DITOPHYYTMJMCX-UKRRQHHQSA-N 1 3 340.468 -0.201 20 0 EBADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001366852586 1133320788 /nfs/dbraw/zinc/32/07/88/1133320788.db2.gz MHVUUGHGDBZESV-STQMWFEESA-N 1 3 341.456 -0.260 20 0 EBADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001366852586 1133320792 /nfs/dbraw/zinc/32/07/92/1133320792.db2.gz MHVUUGHGDBZESV-STQMWFEESA-N 1 3 341.456 -0.260 20 0 EBADHO CN(CCNS(C)(=O)=O)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001366883304 1133341480 /nfs/dbraw/zinc/34/14/80/1133341480.db2.gz MBEBIKVXAAJBKL-UHFFFAOYSA-N 1 3 348.513 -0.342 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983348 1133402427 /nfs/dbraw/zinc/40/24/27/1133402427.db2.gz AVWVOMSTQXXTKT-CVEARBPZSA-N 1 3 337.468 -0.122 20 0 EBADHO COC[C@H](O)CN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366984757 1133403405 /nfs/dbraw/zinc/40/34/05/1133403405.db2.gz YTPZNKCOZFOLRW-CQSZACIVSA-N 1 3 329.441 -0.848 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC[C@@H]1CCOC1 ZINC001367220120 1133504759 /nfs/dbraw/zinc/50/47/59/1133504759.db2.gz JYRLNVGIURKMJW-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](NC[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001367227023 1133508892 /nfs/dbraw/zinc/50/88/92/1133508892.db2.gz JQCYHADJMVTYIX-CHWSQXEVSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433814 1133588611 /nfs/dbraw/zinc/58/86/11/1133588611.db2.gz FKTFOGRTVNWUSF-RYUDHWBXSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613534 1133693644 /nfs/dbraw/zinc/69/36/44/1133693644.db2.gz CMVCJALXHIISDX-OLZOCXBDSA-N 1 3 328.457 -0.690 20 0 EBADHO CC1CCN(C(=O)CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367623356 1133708854 /nfs/dbraw/zinc/70/88/54/1133708854.db2.gz KEEKIHBNCAQOIE-GJZGRUSLSA-N 1 3 340.468 -0.737 20 0 EBADHO CC1CCN(C(=O)CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001367623356 1133708859 /nfs/dbraw/zinc/70/88/59/1133708859.db2.gz KEEKIHBNCAQOIE-GJZGRUSLSA-N 1 3 340.468 -0.737 20 0 EBADHO COc1cc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001367625665 1133712937 /nfs/dbraw/zinc/71/29/37/1133712937.db2.gz REHQTNRTJXGIHB-LSDHHAIUSA-N 1 3 336.436 -0.001 20 0 EBADHO COc1cc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001367625665 1133712943 /nfs/dbraw/zinc/71/29/43/1133712943.db2.gz REHQTNRTJXGIHB-LSDHHAIUSA-N 1 3 336.436 -0.001 20 0 EBADHO CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC)C(=O)CN(C)C1CCC1 ZINC001367648937 1133729287 /nfs/dbraw/zinc/72/92/87/1133729287.db2.gz VLIMEUBRGXIYQP-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001367731814 1133763017 /nfs/dbraw/zinc/76/30/17/1133763017.db2.gz PZCYAKYOLYTSRN-SOUVJXGZSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCOCC2)CC[N@H+]1C ZINC001367731814 1133763021 /nfs/dbraw/zinc/76/30/21/1133763021.db2.gz PZCYAKYOLYTSRN-SOUVJXGZSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)NC1CCOCC1)[NH+](C)C ZINC001367767032 1133777030 /nfs/dbraw/zinc/77/70/30/1133777030.db2.gz YZIIODBDZGSMTN-XJKSGUPXSA-N 1 3 342.484 -0.038 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)NC(N)=O)CC1 ZINC001367998581 1133886164 /nfs/dbraw/zinc/88/61/64/1133886164.db2.gz UXPSXTKEMIDDLN-NEPJUHHUSA-N 1 3 339.440 -0.319 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)NC(N)=O)CC1 ZINC001367998581 1133886172 /nfs/dbraw/zinc/88/61/72/1133886172.db2.gz UXPSXTKEMIDDLN-NEPJUHHUSA-N 1 3 339.440 -0.319 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163729 1133972567 /nfs/dbraw/zinc/97/25/67/1133972567.db2.gz AGEQVVOIKAREJL-NHYWBVRUSA-N 1 3 325.413 -0.896 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001368395930 1134199104 /nfs/dbraw/zinc/19/91/04/1134199104.db2.gz SYSFLOCDAGJMTC-SOUVJXGZSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001368395930 1134199107 /nfs/dbraw/zinc/19/91/07/1134199107.db2.gz SYSFLOCDAGJMTC-SOUVJXGZSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001368450929 1134235780 /nfs/dbraw/zinc/23/57/80/1134235780.db2.gz MGGPDFFGVVHMAS-GFCCVEGCSA-N 1 3 327.429 -0.508 20 0 EBADHO C[NH+]1CCC(C(=O)NCC2(NCC(=O)NC(N)=O)CCC2)CC1 ZINC001368490727 1134251001 /nfs/dbraw/zinc/25/10/01/1134251001.db2.gz UBJJZGLVSASCFV-UHFFFAOYSA-N 1 3 325.413 -0.848 20 0 EBADHO CN(CCC[N@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001368529903 1134275982 /nfs/dbraw/zinc/27/59/82/1134275982.db2.gz QTKHMVIAENFHBE-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(CCC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001368529903 1134275988 /nfs/dbraw/zinc/27/59/88/1134275988.db2.gz QTKHMVIAENFHBE-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368532541 1134278666 /nfs/dbraw/zinc/27/86/66/1134278666.db2.gz ASNGVHFHDNNEMR-MPZDIEGVSA-N 1 3 339.440 -0.462 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001368572768 1134297946 /nfs/dbraw/zinc/29/79/46/1134297946.db2.gz FUYRWVBVTSZPJC-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001368572768 1134297950 /nfs/dbraw/zinc/29/79/50/1134297950.db2.gz FUYRWVBVTSZPJC-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)CN[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001368656608 1134358991 /nfs/dbraw/zinc/35/89/91/1134358991.db2.gz DWQSHCBBFOWBIY-JSGCOSHPSA-N 1 3 336.440 -0.759 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001368688477 1134388845 /nfs/dbraw/zinc/38/88/45/1134388845.db2.gz PHJDDGBMGPGTSY-BETUJISGSA-N 1 3 326.441 -0.712 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001368688477 1134388849 /nfs/dbraw/zinc/38/88/49/1134388849.db2.gz PHJDDGBMGPGTSY-BETUJISGSA-N 1 3 326.441 -0.712 20 0 EBADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001368908701 1134481631 /nfs/dbraw/zinc/48/16/31/1134481631.db2.gz RSVCWNRDLACWHH-VXGBXAGGSA-N 1 3 343.472 -0.016 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369409202 1134765831 /nfs/dbraw/zinc/76/58/31/1134765831.db2.gz XEPMTAONTOHEBL-RYUDHWBXSA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369409201 1134766141 /nfs/dbraw/zinc/76/61/41/1134766141.db2.gz XEPMTAONTOHEBL-NWDGAFQWSA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410551 1134767951 /nfs/dbraw/zinc/76/79/51/1134767951.db2.gz WDLTXDJUWNVWDD-JQWIXIFHSA-N 1 3 325.413 -0.898 20 0 EBADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCCS(C)(=O)=O ZINC001369438122 1134779429 /nfs/dbraw/zinc/77/94/29/1134779429.db2.gz CAVOQNOCNDRVLM-ZDUSSCGKSA-N 1 3 343.493 -0.047 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001370701912 1135518213 /nfs/dbraw/zinc/51/82/13/1135518213.db2.gz GHGNOWNVUOIYAD-MELADBBJSA-N 1 3 346.435 -0.006 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001370701912 1135518217 /nfs/dbraw/zinc/51/82/17/1135518217.db2.gz GHGNOWNVUOIYAD-MELADBBJSA-N 1 3 346.435 -0.006 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370720978 1135545603 /nfs/dbraw/zinc/54/56/03/1135545603.db2.gz ZOEZRGFGRNELCS-LSDHHAIUSA-N 1 3 340.468 -0.738 20 0 EBADHO CN(CC(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001370723187 1135548210 /nfs/dbraw/zinc/54/82/10/1135548210.db2.gz BKROXQRMRMBYQO-CYBMUJFWSA-N 1 3 338.452 -0.840 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370725970 1135552428 /nfs/dbraw/zinc/55/24/28/1135552428.db2.gz OELANKSIBVVZRK-LSDHHAIUSA-N 1 3 342.484 -0.492 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001371178441 1135857031 /nfs/dbraw/zinc/85/70/31/1135857031.db2.gz LLDXFOPXNQNVJD-AAEUAGOBSA-N 1 3 339.440 -0.732 20 0 EBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC[C@@H]1CCCO1 ZINC001371434008 1135909409 /nfs/dbraw/zinc/90/94/09/1135909409.db2.gz XFJRBBPVBCVVRO-KBPBESRZSA-N 1 3 338.452 -0.528 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001371455691 1135917397 /nfs/dbraw/zinc/91/73/97/1135917397.db2.gz TZTFVGFZIUAUHV-ZIAGYGMSSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001371463025 1135923923 /nfs/dbraw/zinc/92/39/23/1135923923.db2.gz ULUPWFQEBWVBHB-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001371463025 1135923924 /nfs/dbraw/zinc/92/39/24/1135923924.db2.gz ULUPWFQEBWVBHB-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CCOCC1 ZINC001371474866 1135931491 /nfs/dbraw/zinc/93/14/91/1135931491.db2.gz OQHQYZAIVQDTGA-CYBMUJFWSA-N 1 3 328.457 -0.284 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533346 1135957404 /nfs/dbraw/zinc/95/74/04/1135957404.db2.gz XNPKYXKMYUMMKG-OLZOCXBDSA-N 1 3 341.456 -0.249 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001371562921 1135970924 /nfs/dbraw/zinc/97/09/24/1135970924.db2.gz ITINUFKZFXQAHH-NSHDSACASA-N 1 3 325.413 -0.896 20 0 EBADHO COC[C@H](O)CN1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001373684742 1136535981 /nfs/dbraw/zinc/53/59/81/1136535981.db2.gz GUGZJWYIBBAIAN-LSDHHAIUSA-N 1 3 343.468 -0.363 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC(N)=O ZINC001373753578 1136553256 /nfs/dbraw/zinc/55/32/56/1136553256.db2.gz OTTFNYAJEDTINF-NEPJUHHUSA-N 1 3 325.413 -0.993 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001374323544 1136673623 /nfs/dbraw/zinc/67/36/23/1136673623.db2.gz CPJBRJUYZCGBQM-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCCS(C)(=O)=O ZINC001374443024 1136688842 /nfs/dbraw/zinc/68/88/42/1136688842.db2.gz HXSHGGIGAIFWJZ-CYBMUJFWSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001374617353 1136751761 /nfs/dbraw/zinc/75/17/61/1136751761.db2.gz UIXOOAFEZQBBET-UONOGXRCSA-N 1 3 336.440 -0.684 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001374646218 1136772239 /nfs/dbraw/zinc/77/22/39/1136772239.db2.gz NCQGCOHDEOKTRO-TZMCWYRMSA-N 1 3 330.473 -0.446 20 0 EBADHO C[NH+]1CCC(CC(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC1 ZINC001374651432 1136775969 /nfs/dbraw/zinc/77/59/69/1136775969.db2.gz MSXAAGWEQRPAIP-CQSZACIVSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670935 1136789942 /nfs/dbraw/zinc/78/99/42/1136789942.db2.gz NFQMJONUXDMNSR-ZFWWWQNUSA-N 1 3 340.468 -0.546 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670935 1136789944 /nfs/dbraw/zinc/78/99/44/1136789944.db2.gz NFQMJONUXDMNSR-ZFWWWQNUSA-N 1 3 340.468 -0.546 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001374685971 1136801167 /nfs/dbraw/zinc/80/11/67/1136801167.db2.gz RQHXMWHQCXGWCF-CABCVRRESA-N 1 3 340.468 -0.402 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001374771678 1136828438 /nfs/dbraw/zinc/82/84/38/1136828438.db2.gz PWNKFIWCNNPZPH-MNOVXSKESA-N 1 3 327.429 -0.591 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001374951755 1136882350 /nfs/dbraw/zinc/88/23/50/1136882350.db2.gz CRVYCGFXFJKZAO-RYUDHWBXSA-N 1 3 341.456 -0.216 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCSC1 ZINC000642768752 376088189 /nfs/dbraw/zinc/08/81/89/376088189.db2.gz ANTJVSUJEXKECW-IOASZLSFSA-N 1 3 340.493 -0.250 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCSC1 ZINC000642768753 376088635 /nfs/dbraw/zinc/08/86/35/376088635.db2.gz ANTJVSUJEXKECW-WWGRRREGSA-N 1 3 340.493 -0.250 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CCO1 ZINC000642780496 376118527 /nfs/dbraw/zinc/11/85/27/376118527.db2.gz HXSVNJFIZXMBHP-BBRMVZONSA-N 1 3 348.447 -0.061 20 0 EBADHO O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719238 376188880 /nfs/dbraw/zinc/18/88/80/376188880.db2.gz QIGJXFPXENHPOF-RTBURBONSA-N 1 3 349.475 -0.094 20 0 EBADHO O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719238 376188882 /nfs/dbraw/zinc/18/88/82/376188882.db2.gz QIGJXFPXENHPOF-RTBURBONSA-N 1 3 349.475 -0.094 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000642809767 376361498 /nfs/dbraw/zinc/36/14/98/376361498.db2.gz NUDVTICJRUTUIM-MELADBBJSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000642912355 376712066 /nfs/dbraw/zinc/71/20/66/376712066.db2.gz AQOZMCFTFIPMNH-KGLIPLIRSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000642912357 376713154 /nfs/dbraw/zinc/71/31/54/376713154.db2.gz AQOZMCFTFIPMNH-ZIAGYGMSSA-N 1 3 327.473 -0.676 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000642924570 376765176 /nfs/dbraw/zinc/76/51/76/376765176.db2.gz DDNOAKVNDNQBFR-ZIAGYGMSSA-N 1 3 337.468 -0.909 20 0 EBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc(C)n1 ZINC000635123005 376892452 /nfs/dbraw/zinc/89/24/52/376892452.db2.gz PRADTYMXVHZFAC-UHFFFAOYSA-N 1 3 336.440 -0.016 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627361427 376933246 /nfs/dbraw/zinc/93/32/46/376933246.db2.gz NZMGZMQPJDNVIE-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO COC(=O)[C@@H]1O[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000601039216 377104584 /nfs/dbraw/zinc/10/45/84/377104584.db2.gz FYWLWEFYRBVUSG-MGPQQGTHSA-N 1 3 329.441 -0.095 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000570044760 377201820 /nfs/dbraw/zinc/20/18/20/377201820.db2.gz ZDTAVFHRTVDMSO-IHRRRGAJSA-N 1 3 328.457 -0.202 20 0 EBADHO N[C@@H]1C[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342253 377529184 /nfs/dbraw/zinc/52/91/84/377529184.db2.gz ANGRMXCKEQKCMP-CHWSQXEVSA-N 1 3 330.454 -0.954 20 0 EBADHO COCCN(C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000109172706 377548187 /nfs/dbraw/zinc/54/81/87/377548187.db2.gz XWATWYULFINRGB-HNNXBMFYSA-N 1 3 330.473 -0.043 20 0 EBADHO COCCN(C)CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000109172704 377550174 /nfs/dbraw/zinc/55/01/74/377550174.db2.gz XWATWYULFINRGB-OAHLLOKOSA-N 1 3 330.473 -0.043 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000593907763 377920158 /nfs/dbraw/zinc/92/01/58/377920158.db2.gz UIBNNGVIFPZIQX-YOEHRIQHSA-N 1 3 339.436 -0.386 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265893 377984801 /nfs/dbraw/zinc/98/48/01/377984801.db2.gz WIOVLEAOKZUMDP-LSDHHAIUSA-N 1 3 329.404 -0.257 20 0 EBADHO C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCSC1 ZINC000595269207 377988285 /nfs/dbraw/zinc/98/82/85/377988285.db2.gz QLYKGJBNTZVCHG-XUJVJEKNSA-N 1 3 341.481 -0.623 20 0 EBADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330544 378349486 /nfs/dbraw/zinc/34/94/86/378349486.db2.gz KWBZKECRUGSRRC-HOTGVXAUSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330544 378349490 /nfs/dbraw/zinc/34/94/90/378349490.db2.gz KWBZKECRUGSRRC-HOTGVXAUSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000602330544 378349496 /nfs/dbraw/zinc/34/94/96/378349496.db2.gz KWBZKECRUGSRRC-HOTGVXAUSA-N 1 3 337.512 -0.093 20 0 EBADHO C[N@@H+]1CCN(CCNC(=O)NCCN2CC[C@@H](O)C2)CC1(C)C ZINC000637123151 378498137 /nfs/dbraw/zinc/49/81/37/378498137.db2.gz VCSUFUWHANOVAB-CQSZACIVSA-N 1 3 327.473 -0.622 20 0 EBADHO C[N@H+]1CCN(CCNC(=O)NCCN2CC[C@@H](O)C2)CC1(C)C ZINC000637123151 378498146 /nfs/dbraw/zinc/49/81/46/378498146.db2.gz VCSUFUWHANOVAB-CQSZACIVSA-N 1 3 327.473 -0.622 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(C)CC2)CCCO1 ZINC000339635369 378963657 /nfs/dbraw/zinc/96/36/57/378963657.db2.gz WOBJACHKWHLJGA-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(C)CC2)CCCO1 ZINC000339635369 378963660 /nfs/dbraw/zinc/96/36/60/378963660.db2.gz WOBJACHKWHLJGA-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](CN)C1 ZINC000563633673 379061486 /nfs/dbraw/zinc/06/14/86/379061486.db2.gz RRYONLVTGPNKMK-ZDUSSCGKSA-N 1 3 339.484 -0.487 20 0 EBADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000339921788 379089219 /nfs/dbraw/zinc/08/92/19/379089219.db2.gz KAGOMFFVOAIOHX-UHFFFAOYSA-N 1 3 342.484 -0.083 20 0 EBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(CCCO)C2)CC1=O ZINC000452794302 379098716 /nfs/dbraw/zinc/09/87/16/379098716.db2.gz GFAVFVSHNQUAKY-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000629797434 379139913 /nfs/dbraw/zinc/13/99/13/379139913.db2.gz XQXMRAFNNKULSA-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000629798852 379141890 /nfs/dbraw/zinc/14/18/90/379141890.db2.gz LUCWOCNECICZGT-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@@H](CNC(=O)NCCOCC[NH+](C)C)CN1CCN(C)CC1 ZINC000471655530 379377769 /nfs/dbraw/zinc/37/77/69/379377769.db2.gz WPOVHMLPXIZATA-HNNXBMFYSA-N 1 3 329.489 -0.253 20 0 EBADHO CCN1CCC(NC(=O)Cn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000640867750 379362583 /nfs/dbraw/zinc/36/25/83/379362583.db2.gz UQXQZBNOLJROOP-UHFFFAOYSA-N 1 3 335.456 -0.716 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCSC1 ZINC000621842897 379366441 /nfs/dbraw/zinc/36/64/41/379366441.db2.gz BALKNQBNOKPNHN-RCBQFDQVSA-N 1 3 340.493 -0.120 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621845678 379369658 /nfs/dbraw/zinc/36/96/58/379369658.db2.gz NMYXWHXASVVQKQ-XJKSGUPXSA-N 1 3 326.441 -0.589 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627394056 379580904 /nfs/dbraw/zinc/58/09/04/379580904.db2.gz VMBCCGQTKMENBD-IYBDPMFKSA-N 1 3 326.441 -0.861 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425335 379593552 /nfs/dbraw/zinc/59/35/52/379593552.db2.gz MOFDIQNDKRNXRE-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627440566 379597139 /nfs/dbraw/zinc/59/71/39/379597139.db2.gz NZEBPHODVJDILZ-CQSZACIVSA-N 1 3 339.484 -0.661 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627442017 379599344 /nfs/dbraw/zinc/59/93/44/379599344.db2.gz ZJAYEIVKUMYCLJ-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627357214 379562696 /nfs/dbraw/zinc/56/26/96/379562696.db2.gz ADKCNKYNGVNPBP-CYBMUJFWSA-N 1 3 326.441 -0.399 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000627370823 379568774 /nfs/dbraw/zinc/56/87/74/379568774.db2.gz NLWRLKQCPKGQTR-OAHLLOKOSA-N 1 3 346.497 -0.766 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000627371251 379571121 /nfs/dbraw/zinc/57/11/21/379571121.db2.gz ZDPPSPDAWPNARS-ZOWXZIJZSA-N 1 3 328.482 -0.203 20 0 EBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627456061 379606303 /nfs/dbraw/zinc/60/63/03/379606303.db2.gz XRTHDLCIXFUNTN-CYBMUJFWSA-N 1 3 326.441 -0.448 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1COCCN1 ZINC000627186219 379825543 /nfs/dbraw/zinc/82/55/43/379825543.db2.gz QVMCPNNBYYBEIG-AWEZNQCLSA-N 1 3 327.473 -0.358 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1COCCN1 ZINC000627186219 379825551 /nfs/dbraw/zinc/82/55/51/379825551.db2.gz QVMCPNNBYYBEIG-AWEZNQCLSA-N 1 3 327.473 -0.358 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1COCCN1 ZINC000627186219 379825556 /nfs/dbraw/zinc/82/55/56/379825556.db2.gz QVMCPNNBYYBEIG-AWEZNQCLSA-N 1 3 327.473 -0.358 20 0 EBADHO CCc1ncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000130533185 380060220 /nfs/dbraw/zinc/06/02/20/380060220.db2.gz KPFRKTRXGRFUHA-UHFFFAOYSA-N 1 3 336.440 -0.071 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC000554250014 380339161 /nfs/dbraw/zinc/33/91/61/380339161.db2.gz RBTDRTNYJIZFST-MRXNPFEDSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000554515932 380345314 /nfs/dbraw/zinc/34/53/14/380345314.db2.gz DLFNFQAOZVKUEM-KGLIPLIRSA-N 1 3 328.457 -0.426 20 0 EBADHO CC[C@H](CO)N1CCN(C(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000340274313 380400245 /nfs/dbraw/zinc/40/02/45/380400245.db2.gz WKDQGGZPAIJHQJ-MRXNPFEDSA-N 1 3 326.485 -0.071 20 0 EBADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565240577 380410373 /nfs/dbraw/zinc/41/03/73/380410373.db2.gz YQHNLYHWUWOAPR-VHDGCEQUSA-N 1 3 341.415 -0.192 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C)CC2)CCSC1 ZINC000340440631 380500194 /nfs/dbraw/zinc/50/01/94/380500194.db2.gz COUJJSJQXDJBRL-HNNXBMFYSA-N 1 3 328.482 -0.250 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000567368912 380515354 /nfs/dbraw/zinc/51/53/54/380515354.db2.gz MCMPXFXXSLTEHI-CQSZACIVSA-N 1 3 327.473 -0.817 20 0 EBADHO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000638423728 380468549 /nfs/dbraw/zinc/46/85/49/380468549.db2.gz ANOFLLDGTHGJAX-QZTJIDSGSA-N 1 3 345.491 -0.048 20 0 EBADHO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000638423728 380468554 /nfs/dbraw/zinc/46/85/54/380468554.db2.gz ANOFLLDGTHGJAX-QZTJIDSGSA-N 1 3 345.491 -0.048 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000567681985 380535442 /nfs/dbraw/zinc/53/54/42/380535442.db2.gz CNKBSIPVIHLERX-CVEARBPZSA-N 1 3 326.485 -0.026 20 0 EBADHO CCN1CCN(CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000567894920 380555628 /nfs/dbraw/zinc/55/56/28/380555628.db2.gz FZMABJOPUYKSTA-HNNXBMFYSA-N 1 3 349.483 -0.213 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568902168 380623643 /nfs/dbraw/zinc/62/36/43/380623643.db2.gz XOXBTLSCMPPQHD-CTPFVTRSSA-N 1 3 336.436 -0.711 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568902169 380623909 /nfs/dbraw/zinc/62/39/09/380623909.db2.gz XOXBTLSCMPPQHD-GBIDUEILSA-N 1 3 336.436 -0.711 20 0 EBADHO C[C@@H](NC(=O)CCOC1C[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000573562352 380678443 /nfs/dbraw/zinc/67/84/43/380678443.db2.gz ZYGWEXIHEROFOR-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000574340467 380708189 /nfs/dbraw/zinc/70/81/89/380708189.db2.gz GYXHNFFJDFCOHM-OAHLLOKOSA-N 1 3 339.484 -0.756 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000576331140 380767343 /nfs/dbraw/zinc/76/73/43/380767343.db2.gz OCJPVIMLTBIPHX-HNNXBMFYSA-N 1 3 337.468 -0.066 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000341728279 380732127 /nfs/dbraw/zinc/73/21/27/380732127.db2.gz KQMYXEDZJKDDMP-UHFFFAOYSA-N 1 3 337.472 -0.282 20 0 EBADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000575330614 380737212 /nfs/dbraw/zinc/73/72/12/380737212.db2.gz ALYNNPFEXKZIAA-GJZGRUSLSA-N 1 3 337.468 -0.781 20 0 EBADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000575330615 380737962 /nfs/dbraw/zinc/73/79/62/380737962.db2.gz ALYNNPFEXKZIAA-HUUCEWRRSA-N 1 3 337.468 -0.781 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000342009490 380750354 /nfs/dbraw/zinc/75/03/54/380750354.db2.gz BELJOLHCMJCCTF-CABCVRRESA-N 1 3 340.468 -0.500 20 0 EBADHO COCCN(C)CCCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417098705 380799348 /nfs/dbraw/zinc/79/93/48/380799348.db2.gz ZAXOFDZVSZIHHM-HNNXBMFYSA-N 1 3 327.473 -0.356 20 0 EBADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC1CNC1 ZINC000580633273 380805066 /nfs/dbraw/zinc/80/50/66/380805066.db2.gz WAUDYRTVXSPIGK-OAHLLOKOSA-N 1 3 330.432 -0.245 20 0 EBADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC1CNC1 ZINC000580633273 380805071 /nfs/dbraw/zinc/80/50/71/380805071.db2.gz WAUDYRTVXSPIGK-OAHLLOKOSA-N 1 3 330.432 -0.245 20 0 EBADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC1CNC1 ZINC000580633272 380805113 /nfs/dbraw/zinc/80/51/13/380805113.db2.gz WAUDYRTVXSPIGK-HNNXBMFYSA-N 1 3 330.432 -0.245 20 0 EBADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)NC1CNC1 ZINC000580633272 380805118 /nfs/dbraw/zinc/80/51/18/380805118.db2.gz WAUDYRTVXSPIGK-HNNXBMFYSA-N 1 3 330.432 -0.245 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000577660323 380835242 /nfs/dbraw/zinc/83/52/42/380835242.db2.gz ZNJFFSKPYZDGTC-GJZGRUSLSA-N 1 3 340.468 -0.378 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417432242 380886878 /nfs/dbraw/zinc/88/68/78/380886878.db2.gz SNMPUIVVYILYDJ-ZIAGYGMSSA-N 1 3 325.457 -0.020 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339278 380924221 /nfs/dbraw/zinc/92/42/21/380924221.db2.gz BVNSIERJASNMSA-CABCVRRESA-N 1 3 346.435 -0.485 20 0 EBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CNCC2CC2)c1 ZINC000579239565 380977225 /nfs/dbraw/zinc/97/72/25/380977225.db2.gz CJTCMBIQWCPHTD-UHFFFAOYSA-N 1 3 326.422 -0.138 20 0 EBADHO C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000417547962 380936720 /nfs/dbraw/zinc/93/67/20/380936720.db2.gz HNIJJEPPYDXQCT-CHWSQXEVSA-N 1 3 325.457 -0.034 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670124 380944410 /nfs/dbraw/zinc/94/44/10/380944410.db2.gz ZFJJJMMDQWFADE-HOTGVXAUSA-N 1 3 328.416 -0.241 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000617504011 381035924 /nfs/dbraw/zinc/03/59/24/381035924.db2.gz FCSJFCXETULZCP-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000617504011 381035930 /nfs/dbraw/zinc/03/59/30/381035930.db2.gz FCSJFCXETULZCP-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418398033 381122140 /nfs/dbraw/zinc/12/21/40/381122140.db2.gz DSFIOFHXZHHKRN-AWEZNQCLSA-N 1 3 325.457 -0.081 20 0 EBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000583802298 381141958 /nfs/dbraw/zinc/14/19/58/381141958.db2.gz OUWJELKGVCOORS-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO COC[C@]1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCC[NH2+]1 ZINC000418639132 381254598 /nfs/dbraw/zinc/25/45/98/381254598.db2.gz PIIDEJHAJUDPLB-GOEBONIOSA-N 1 3 328.457 -0.099 20 0 EBADHO CN(C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)Cc1ccccc1 ZINC000418827250 381286745 /nfs/dbraw/zinc/28/67/45/381286745.db2.gz BZCUUJIEMNOQRU-OAHLLOKOSA-N 1 3 336.436 -0.945 20 0 EBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855284 381306702 /nfs/dbraw/zinc/30/67/02/381306702.db2.gz URNNPCHUYFUMOL-HZPDHXFCSA-N 1 3 348.447 -0.538 20 0 EBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418879684 381326638 /nfs/dbraw/zinc/32/66/38/381326638.db2.gz NUUTTYHJGCJIAZ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348019941 381312120 /nfs/dbraw/zinc/31/21/20/381312120.db2.gz QFCQYERTBNKAKZ-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348019941 381312124 /nfs/dbraw/zinc/31/21/24/381312124.db2.gz QFCQYERTBNKAKZ-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419023476 381355365 /nfs/dbraw/zinc/35/53/65/381355365.db2.gz JPLHFVCGMSTZAE-KBPBESRZSA-N 1 3 342.484 -0.361 20 0 EBADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419023478 381356652 /nfs/dbraw/zinc/35/66/52/381356652.db2.gz JPLHFVCGMSTZAE-ZIAGYGMSSA-N 1 3 342.484 -0.361 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419084665 381364920 /nfs/dbraw/zinc/36/49/20/381364920.db2.gz YXWVCZITPVKMSD-LSDHHAIUSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419122523 381382688 /nfs/dbraw/zinc/38/26/88/381382688.db2.gz NPRBKXVAFSGKKP-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419145991 381397861 /nfs/dbraw/zinc/39/78/61/381397861.db2.gz HCEYUCKGKUHRNS-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000348763498 381400539 /nfs/dbraw/zinc/40/05/39/381400539.db2.gz NNCCONJHLNTHPU-CQSZACIVSA-N 1 3 340.468 -0.210 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000348763498 381400545 /nfs/dbraw/zinc/40/05/45/381400545.db2.gz NNCCONJHLNTHPU-CQSZACIVSA-N 1 3 340.468 -0.210 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000419666638 381466494 /nfs/dbraw/zinc/46/64/94/381466494.db2.gz WDPQIEDNUPMUJZ-CYBMUJFWSA-N 1 3 336.436 -0.251 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420098650 381540047 /nfs/dbraw/zinc/54/00/47/381540047.db2.gz AZJZKBYFRJQVNS-LSDHHAIUSA-N 1 3 342.484 -0.083 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420098646 381540424 /nfs/dbraw/zinc/54/04/24/381540424.db2.gz AZJZKBYFRJQVNS-GJZGRUSLSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420150199 381549498 /nfs/dbraw/zinc/54/94/98/381549498.db2.gz WPWGCHMNNXAEBG-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420031065 381532814 /nfs/dbraw/zinc/53/28/14/381532814.db2.gz GYQUETDZOBROCN-YPMHNXCESA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420031065 381532819 /nfs/dbraw/zinc/53/28/19/381532819.db2.gz GYQUETDZOBROCN-YPMHNXCESA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000420029957 381532957 /nfs/dbraw/zinc/53/29/57/381532957.db2.gz FYLVFRBLBBVBJT-RWMBFGLXSA-N 1 3 326.441 -0.232 20 0 EBADHO CN1CCN(C(=O)CCN2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000420315851 381577901 /nfs/dbraw/zinc/57/79/01/381577901.db2.gz SAUMDIFYBNUXDH-HNNXBMFYSA-N 1 3 339.484 -0.530 20 0 EBADHO C[C@@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409337 381584491 /nfs/dbraw/zinc/58/44/91/381584491.db2.gz QMOVQRWPVSTNEN-OLZOCXBDSA-N 1 3 348.451 -0.260 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000572228468 381652442 /nfs/dbraw/zinc/65/24/42/381652442.db2.gz XKIJWRHIVHUCEN-HUUCEWRRSA-N 1 3 341.500 -0.558 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000572234646 381652643 /nfs/dbraw/zinc/65/26/43/381652643.db2.gz URAIEYBTVKZTFM-ZIAGYGMSSA-N 1 3 325.457 -0.970 20 0 EBADHO C[NH2+]CCNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916224 381876981 /nfs/dbraw/zinc/87/69/81/381876981.db2.gz XLEQHNRGNCNWQA-CYBMUJFWSA-N 1 3 335.456 -0.072 20 0 EBADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000643509650 381928145 /nfs/dbraw/zinc/92/81/45/381928145.db2.gz DNFTVSSWPXXFMV-GJZGRUSLSA-N 1 3 341.500 -0.619 20 0 EBADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000353463710 382148811 /nfs/dbraw/zinc/14/88/11/382148811.db2.gz WMLJAFZCOZDSAC-ZIAGYGMSSA-N 1 3 336.440 -0.113 20 0 EBADHO CNC(=O)NC(=O)CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261652305 154195998 /nfs/dbraw/zinc/19/59/98/154195998.db2.gz JTDFSBUTGUUVOC-STQMWFEESA-N 1 3 339.440 -0.588 20 0 EBADHO [NH3+][C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCOCC1 ZINC000261868415 154203966 /nfs/dbraw/zinc/20/39/66/154203966.db2.gz SSKRYTABPKTZBU-MRXNPFEDSA-N 1 3 338.452 -0.493 20 0 EBADHO NC(=O)NC(=O)CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261962076 154206323 /nfs/dbraw/zinc/20/63/23/154206323.db2.gz XYHSSHNZOCYANL-NWDGAFQWSA-N 1 3 325.413 -0.848 20 0 EBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000343016548 156086030 /nfs/dbraw/zinc/08/60/30/156086030.db2.gz URRFFXXVOSIHFO-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N(C)CCC[NH+]2CCCC2)n1 ZINC000343063849 156091316 /nfs/dbraw/zinc/09/13/16/156091316.db2.gz HAWYCWIPNGXJFV-UHFFFAOYSA-N 1 3 337.472 -0.138 20 0 EBADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000343684926 156155693 /nfs/dbraw/zinc/15/56/93/156155693.db2.gz LWJUOZBOCKNLNY-DOTOQJQBSA-N 1 3 336.480 -0.007 20 0 EBADHO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343916138 156186817 /nfs/dbraw/zinc/18/68/17/156186817.db2.gz AZCMYAUAAARBKV-KZNAEPCWSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343916138 156186820 /nfs/dbraw/zinc/18/68/20/156186820.db2.gz AZCMYAUAAARBKV-KZNAEPCWSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343916138 156186823 /nfs/dbraw/zinc/18/68/23/156186823.db2.gz AZCMYAUAAARBKV-KZNAEPCWSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCC(C)CC1 ZINC000356413670 157065369 /nfs/dbraw/zinc/06/53/69/157065369.db2.gz DZUYCKIBDMGVBJ-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)C2CCN(CCO)CC2)CC1 ZINC000357643627 157163253 /nfs/dbraw/zinc/16/32/53/157163253.db2.gz GFUPXGZPSPDTCR-OAHLLOKOSA-N 1 3 326.485 -0.073 20 0 EBADHO CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)C2CCN(CCO)CC2)CC1 ZINC000357643627 157163257 /nfs/dbraw/zinc/16/32/57/157163257.db2.gz GFUPXGZPSPDTCR-OAHLLOKOSA-N 1 3 326.485 -0.073 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000360274654 157370405 /nfs/dbraw/zinc/37/04/05/157370405.db2.gz ZERQOKLHLHEWSL-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000360274654 157370408 /nfs/dbraw/zinc/37/04/08/157370408.db2.gz ZERQOKLHLHEWSL-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000360277566 157372204 /nfs/dbraw/zinc/37/22/04/157372204.db2.gz DIPZUVJAAYEDBA-UHFFFAOYSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278389 157372471 /nfs/dbraw/zinc/37/24/71/157372471.db2.gz IWAYSNNMKUCPAS-GXTWGEPZSA-N 1 3 326.441 -0.720 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410501634 419034492 /nfs/dbraw/zinc/03/44/92/419034492.db2.gz DHFCBBRSNQDPKL-UHFFFAOYSA-N 1 3 342.484 -0.177 20 0 EBADHO CC[N@H+](CCNC(=O)N1CCN(CCN(C)C)C(=O)C1)C1CC1 ZINC000650818752 419081927 /nfs/dbraw/zinc/08/19/27/419081927.db2.gz WVNKTCHQQLFXTR-UHFFFAOYSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@@H+](CCNC(=O)N1CCN(CCN(C)C)C(=O)C1)C1CC1 ZINC000650818752 419081932 /nfs/dbraw/zinc/08/19/32/419081932.db2.gz WVNKTCHQQLFXTR-UHFFFAOYSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659024757 419066323 /nfs/dbraw/zinc/06/63/23/419066323.db2.gz JFWZUUFHTPWDEM-SECBINFHSA-N 1 3 327.351 -0.463 20 0 EBADHO CN(C[C@H](O)C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569757 419169116 /nfs/dbraw/zinc/16/91/16/419169116.db2.gz UNWUUZPFORBIBD-NVXWUHKLSA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@H+](C[C@H](O)CN[C@@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569757 419169118 /nfs/dbraw/zinc/16/91/18/419169118.db2.gz UNWUUZPFORBIBD-NVXWUHKLSA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569757 419169121 /nfs/dbraw/zinc/16/91/21/419169121.db2.gz UNWUUZPFORBIBD-NVXWUHKLSA-N 1 3 326.485 -0.562 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651263871 419183935 /nfs/dbraw/zinc/18/39/35/419183935.db2.gz PXMIVHFBXYPSDM-UHFFFAOYSA-N 1 3 338.456 -0.667 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cn1 ZINC000652642205 419243894 /nfs/dbraw/zinc/24/38/94/419243894.db2.gz SLFWPDIBUMDJRY-UHFFFAOYSA-N 1 3 336.440 -0.029 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645241897 419301771 /nfs/dbraw/zinc/30/17/71/419301771.db2.gz JDMJKDDJPRFDNU-AWEZNQCLSA-N 1 3 343.472 -0.284 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645241897 419301774 /nfs/dbraw/zinc/30/17/74/419301774.db2.gz JDMJKDDJPRFDNU-AWEZNQCLSA-N 1 3 343.472 -0.284 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340799229 419382454 /nfs/dbraw/zinc/38/24/54/419382454.db2.gz NAEJZWONTCZKKR-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340799229 419382458 /nfs/dbraw/zinc/38/24/58/419382458.db2.gz NAEJZWONTCZKKR-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)CC1 ZINC000416285819 419429124 /nfs/dbraw/zinc/42/91/24/419429124.db2.gz ADBMTFVFYNRQAR-CVEARBPZSA-N 1 3 326.485 -0.073 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000659608551 419522522 /nfs/dbraw/zinc/52/25/22/419522522.db2.gz PMUNIOUHHBWGSJ-QEJZJMRPSA-N 1 3 326.441 -0.003 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000514659015 419645049 /nfs/dbraw/zinc/64/50/49/419645049.db2.gz PKIAEBRCKXRKOT-AWEZNQCLSA-N 1 3 328.457 -0.424 20 0 EBADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659707039 419766980 /nfs/dbraw/zinc/76/69/80/419766980.db2.gz FXJGPBBSNFHWLW-UHFFFAOYSA-N 1 3 338.412 -0.895 20 0 EBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659707039 419766992 /nfs/dbraw/zinc/76/69/92/419766992.db2.gz FXJGPBBSNFHWLW-UHFFFAOYSA-N 1 3 338.412 -0.895 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000659710755 419773893 /nfs/dbraw/zinc/77/38/93/419773893.db2.gz UFUXBDVZZOHRSG-LSDHHAIUSA-N 1 3 341.500 -0.524 20 0 EBADHO CN(CC[NH3+])C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659731122 419799637 /nfs/dbraw/zinc/79/96/37/419799637.db2.gz YSKNQCPSPYTAPY-UHFFFAOYSA-N 1 3 333.436 -0.173 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419949027 419830046 /nfs/dbraw/zinc/83/00/46/419830046.db2.gz KSMNYAOTTMYVJJ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420051060 419834539 /nfs/dbraw/zinc/83/45/39/419834539.db2.gz ZXCVDZSWKRULLB-CABCVRRESA-N 1 3 340.468 -0.201 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423206080 419923011 /nfs/dbraw/zinc/92/30/11/419923011.db2.gz FTAWJXBOJJYEKV-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000423205298 419923211 /nfs/dbraw/zinc/92/32/11/419923211.db2.gz FEEMWHRTDPKLEA-ILXRZTDVSA-N 1 3 340.468 -0.249 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423209269 419923694 /nfs/dbraw/zinc/92/36/94/419923694.db2.gz IUUPWPVUZMXSQP-GASCZTMLSA-N 1 3 339.484 -0.580 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423209269 419923699 /nfs/dbraw/zinc/92/36/99/419923699.db2.gz IUUPWPVUZMXSQP-GASCZTMLSA-N 1 3 339.484 -0.580 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423065644 419919160 /nfs/dbraw/zinc/91/91/60/419919160.db2.gz VEAJEFXOPWWVHS-AWEZNQCLSA-N 1 3 328.457 -0.391 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423265060 419931357 /nfs/dbraw/zinc/93/13/57/419931357.db2.gz QPYPMHWHSAWHDO-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423211714 419924992 /nfs/dbraw/zinc/92/49/92/419924992.db2.gz LFXQSMUUSJHOQG-OAHLLOKOSA-N 1 3 340.468 -0.247 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423262670 419926339 /nfs/dbraw/zinc/92/63/39/419926339.db2.gz NCRYASCLOCNRJJ-CABCVRRESA-N 1 3 342.484 -0.001 20 0 EBADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCC1 ZINC000533456769 420588590 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342.509 -0.004 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000657870196 420936187 /nfs/dbraw/zinc/93/61/87/420936187.db2.gz GXBYRMWBEZQSHS-ZBFHGGJFSA-N 1 3 343.431 -0.107 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000659318764 420997017 /nfs/dbraw/zinc/99/70/17/420997017.db2.gz YAUZRHOPTXKHOB-AWEZNQCLSA-N 1 3 328.457 -0.424 20 0 EBADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612003 421006419 /nfs/dbraw/zinc/00/64/19/421006419.db2.gz VJIITCFYMIETOJ-KBPBESRZSA-N 1 3 325.457 -0.033 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616279 421007271 /nfs/dbraw/zinc/00/72/71/421007271.db2.gz FCHZDZZBHRGHMV-UHFFFAOYSA-N 1 3 337.468 -0.066 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659711254 421018194 /nfs/dbraw/zinc/01/81/94/421018194.db2.gz YMXSOIHJNMQMBW-KBPBESRZSA-N 1 3 327.473 -0.900 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000659719509 421020872 /nfs/dbraw/zinc/02/08/72/421020872.db2.gz YNLXBDVAAQJPRX-AVGNSLFASA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000659719509 421020875 /nfs/dbraw/zinc/02/08/75/421020875.db2.gz YNLXBDVAAQJPRX-AVGNSLFASA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000659719509 421020878 /nfs/dbraw/zinc/02/08/78/421020878.db2.gz YNLXBDVAAQJPRX-AVGNSLFASA-N 1 3 326.441 -0.184 20 0 EBADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@H]1CNCCO1 ZINC000659730827 421024631 /nfs/dbraw/zinc/02/46/31/421024631.db2.gz ZWUFSGAMDWDXCL-OAHLLOKOSA-N 1 3 338.452 -0.671 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730499 421024866 /nfs/dbraw/zinc/02/48/66/421024866.db2.gz XLJMCSWKCKMYRE-DZGCQCFKSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659730499 421024868 /nfs/dbraw/zinc/02/48/68/421024868.db2.gz XLJMCSWKCKMYRE-DZGCQCFKSA-N 1 3 338.452 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RNIRJWKMRILAED-KGLIPLIRSA-N 1 3 326.441 -0.541 20 0 EBADHO CN(CCCNC(=O)CN1CCC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443055887 265337294 /nfs/dbraw/zinc/33/72/94/265337294.db2.gz BXGODOHGGYBZJX-CYBMUJFWSA-N 1 3 334.486 -0.555 20 0 EBADHO Cn1c2ncn(CCN3CCC[C@@H](CC[NH3+])C3)c2c(=O)n(C)c1=O ZINC000443059248 265337521 /nfs/dbraw/zinc/33/75/21/265337521.db2.gz MCUVKNLVKDELJR-LBPRGKRZSA-N 1 3 334.424 -0.506 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000665761730 545681090 /nfs/dbraw/zinc/68/10/90/545681090.db2.gz ODFQXVOOHNPZEW-STQMWFEESA-N 1 3 349.501 -0.669 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000665761730 545681093 /nfs/dbraw/zinc/68/10/93/545681093.db2.gz ODFQXVOOHNPZEW-STQMWFEESA-N 1 3 349.501 -0.669 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668659805 545728185 /nfs/dbraw/zinc/72/81/85/545728185.db2.gz YFLVGMOYDRRCNQ-OAHLLOKOSA-N 1 3 338.452 -0.746 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668659805 545728190 /nfs/dbraw/zinc/72/81/90/545728190.db2.gz YFLVGMOYDRRCNQ-OAHLLOKOSA-N 1 3 338.452 -0.746 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000669227622 545827489 /nfs/dbraw/zinc/82/74/89/545827489.db2.gz DOUBIAWQNBTPFZ-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](CN)C1 ZINC000669463859 545875398 /nfs/dbraw/zinc/87/53/98/545875398.db2.gz NZNAXZPKYSLTIB-HNNXBMFYSA-N 1 3 339.484 -0.084 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)C3(n4cnnn4)CC3)CC2)CC1 ZINC000667642244 546058812 /nfs/dbraw/zinc/05/88/12/546058812.db2.gz UJCGVAGARBWIGR-UHFFFAOYSA-N 1 3 333.440 -0.163 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174276 546366290 /nfs/dbraw/zinc/36/62/90/546366290.db2.gz GKJWDOQSNTUNJD-WMLDXEAASA-N 1 3 340.468 -0.688 20 0 EBADHO C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000891938936 582563691 /nfs/dbraw/zinc/56/36/91/582563691.db2.gz BNYWBBBPTUAREN-LOWDOPEQSA-N 1 3 325.413 -0.487 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892687345 582585875 /nfs/dbraw/zinc/58/58/75/582585875.db2.gz KFAYRYZIPNNQLW-CABCVRRESA-N 1 3 328.457 -0.195 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892687345 582585876 /nfs/dbraw/zinc/58/58/76/582585876.db2.gz KFAYRYZIPNNQLW-CABCVRRESA-N 1 3 328.457 -0.195 20 0 EBADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000892755976 582586964 /nfs/dbraw/zinc/58/69/64/582586964.db2.gz MFNJZPQRBKGWPI-RRFJBIMHSA-N 1 3 338.452 -0.395 20 0 EBADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000892755977 582587072 /nfs/dbraw/zinc/58/70/72/582587072.db2.gz MFNJZPQRBKGWPI-ZNMIVQPWSA-N 1 3 338.452 -0.395 20 0 EBADHO CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000900658328 582777200 /nfs/dbraw/zinc/77/72/00/582777200.db2.gz GOWJWKPKDXOYPL-INIZCTEOSA-N 1 3 325.501 -0.236 20 0 EBADHO CN1CCC[C@@](O)(CC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000900956782 582787345 /nfs/dbraw/zinc/78/73/45/582787345.db2.gz ZDASNZKDRQKXPG-QGZVFWFLSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903731448 582814746 /nfs/dbraw/zinc/81/47/46/582814746.db2.gz GLNWWLAJLCHSFC-ZIAGYGMSSA-N 1 3 340.468 -0.249 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735768 582815847 /nfs/dbraw/zinc/81/58/47/582815847.db2.gz DJZUXKZFJZZCCC-SJLPKXTDSA-N 1 3 336.480 -0.005 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903738342 582816453 /nfs/dbraw/zinc/81/64/53/582816453.db2.gz KDUZCHIWWAXUAT-AWEZNQCLSA-N 1 3 342.484 -0.001 20 0 EBADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@H]21 ZINC000903775886 582819967 /nfs/dbraw/zinc/81/99/67/582819967.db2.gz HOXMPGUGOSAUCD-IRCOFANPSA-N 1 3 348.369 -0.113 20 0 EBADHO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@H]21 ZINC000903775886 582819969 /nfs/dbraw/zinc/81/99/69/582819969.db2.gz HOXMPGUGOSAUCD-IRCOFANPSA-N 1 3 348.369 -0.113 20 0 EBADHO CN(C)CCNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731947310 582843551 /nfs/dbraw/zinc/84/35/51/582843551.db2.gz CJJWOSPEWZOTTG-UHFFFAOYSA-N 1 3 338.485 -0.213 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1cnn(C)n1 ZINC000838615172 583055568 /nfs/dbraw/zinc/05/55/68/583055568.db2.gz JJGGRNHHZIKHQT-UHFFFAOYSA-N 1 3 325.461 -0.118 20 0 EBADHO C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000741085966 583069413 /nfs/dbraw/zinc/06/94/13/583069413.db2.gz ACOCENQNRVOFQR-KGLIPLIRSA-N 1 3 326.441 -0.395 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806378283 583254951 /nfs/dbraw/zinc/25/49/51/583254951.db2.gz UMPZCILSOUWEGM-UHFFFAOYSA-N 1 3 344.456 -0.793 20 0 EBADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804053361 583638180 /nfs/dbraw/zinc/63/81/80/583638180.db2.gz JFFQBVHXEBJCQD-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@@H]1C[NH3+] ZINC000842165382 584058898 /nfs/dbraw/zinc/05/88/98/584058898.db2.gz VVJAYQZVQOZAFY-KBUPBQIOSA-N 1 3 338.452 -0.448 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843471570 584079419 /nfs/dbraw/zinc/07/94/19/584079419.db2.gz JXMRNGSQAALRNO-AWEZNQCLSA-N 1 3 335.408 -0.587 20 0 EBADHO CCO[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000846142997 584122393 /nfs/dbraw/zinc/12/23/93/584122393.db2.gz CBBWIGOVWHADDS-KBUPBQIOSA-N 1 3 326.441 -0.145 20 0 EBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000849073868 584165764 /nfs/dbraw/zinc/16/57/64/584165764.db2.gz KABYQUPXECGRQT-CYBMUJFWSA-N 1 3 347.485 -0.753 20 0 EBADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000866686283 584403383 /nfs/dbraw/zinc/40/33/83/584403383.db2.gz FWKYXKXHSXQULX-IRXDYDNUSA-N 1 3 335.448 -0.262 20 0 EBADHO O=C(CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710906 584404141 /nfs/dbraw/zinc/40/41/41/584404141.db2.gz XKCFQRZPRUEWKF-MCIONIFRSA-N 1 3 338.408 -0.898 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816217 584407367 /nfs/dbraw/zinc/40/73/67/584407367.db2.gz KPVCHTHLXIVEJH-XQQFMLRXSA-N 1 3 346.453 -0.865 20 0 EBADHO CN(CCCCCC[NH3+])CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000872158869 584458545 /nfs/dbraw/zinc/45/85/45/584458545.db2.gz YMYPIUSMLUKVLZ-UHFFFAOYSA-N 1 3 348.513 -0.023 20 0 EBADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)C1 ZINC000872195239 584459896 /nfs/dbraw/zinc/45/98/96/584459896.db2.gz NTWGZODZLPDHOZ-BMGDILEWSA-N 1 3 334.464 -0.001 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cn1 ZINC000876771424 584523374 /nfs/dbraw/zinc/52/33/74/584523374.db2.gz RTFSTJVWYYUDMS-RISCZKNCSA-N 1 3 340.403 -0.553 20 0 EBADHO CN1CCN(C(=O)CC[NH+]2CCC(N3CCN(C)CC3)CC2)CC1 ZINC000879596252 584554967 /nfs/dbraw/zinc/55/49/67/584554967.db2.gz KLQRLOIBCOHAMS-UHFFFAOYSA-N 1 3 337.512 -0.138 20 0 EBADHO O=C(c1ccnc(N2CCNCC2)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285504 584620944 /nfs/dbraw/zinc/62/09/44/584620944.db2.gz LYPCHGOKBKDTOW-MRXNPFEDSA-N 1 3 344.463 -0.389 20 0 EBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000884560038 584627252 /nfs/dbraw/zinc/62/72/52/584627252.db2.gz LRQYFOWKQCYCJA-SZOQZIPDSA-N 1 3 336.436 -0.966 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884662681 584632400 /nfs/dbraw/zinc/63/24/00/584632400.db2.gz WIIGWGSUMJMGGD-BTTYYORXSA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678540 584633760 /nfs/dbraw/zinc/63/37/60/584633760.db2.gz FFXZAGNSBMDPAM-WFASDCNBSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000887091269 584676357 /nfs/dbraw/zinc/67/63/57/584676357.db2.gz GGGDGXAVFYHQPI-KGLIPLIRSA-N 1 3 331.420 -0.074 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC1=O ZINC000425318372 650009913 /nfs/dbraw/zinc/00/99/13/650009913.db2.gz OMKWROBIMZDJQP-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1(C[NH3+])CCOCC1 ZINC000904971894 650053276 /nfs/dbraw/zinc/05/32/76/650053276.db2.gz RNLAAOXAUNNERG-AWEZNQCLSA-N 1 3 338.452 -0.351 20 0 EBADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000904994503 650057001 /nfs/dbraw/zinc/05/70/01/650057001.db2.gz GYVBMRBWPSVZME-LSDHHAIUSA-N 1 3 336.436 -0.704 20 0 EBADHO CN(C[C@H](O)C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446626 650063512 /nfs/dbraw/zinc/06/35/12/650063512.db2.gz JZXUJHZCMMYEAA-SJLPKXTDSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@H+](C[C@H](O)CN[C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446626 650063513 /nfs/dbraw/zinc/06/35/13/650063513.db2.gz JZXUJHZCMMYEAA-SJLPKXTDSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446626 650063514 /nfs/dbraw/zinc/06/35/14/650063514.db2.gz JZXUJHZCMMYEAA-SJLPKXTDSA-N 1 3 340.512 -0.172 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186547 650097800 /nfs/dbraw/zinc/09/78/00/650097800.db2.gz WXMJLSJVEIQPEM-GRDNDAEWSA-N 1 3 338.452 -0.747 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)C1=O ZINC000908186547 650097803 /nfs/dbraw/zinc/09/78/03/650097803.db2.gz WXMJLSJVEIQPEM-GRDNDAEWSA-N 1 3 338.452 -0.747 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000910963637 650142409 /nfs/dbraw/zinc/14/24/09/650142409.db2.gz SQYPNBZGEVVHAK-VNQPRFMTSA-N 1 3 332.448 0.000 20 0 EBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000911146922 650154478 /nfs/dbraw/zinc/15/44/78/650154478.db2.gz CXYYABJJUILUME-VWPFQQQWSA-N 1 3 336.436 -0.694 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911174296 650157145 /nfs/dbraw/zinc/15/71/45/650157145.db2.gz CQICKRUNRBDARW-XJKSGUPXSA-N 1 3 326.441 -0.589 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCSC1 ZINC000911199065 650159096 /nfs/dbraw/zinc/15/90/96/650159096.db2.gz JSPPYIZGHNFUNY-HOTGVXAUSA-N 1 3 340.493 -0.106 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911206484 650159581 /nfs/dbraw/zinc/15/95/81/650159581.db2.gz GTLMVDPBGLDCAF-BBRMVZONSA-N 1 3 326.441 -0.711 20 0 EBADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCNCCNCC2)c1 ZINC000911220650 650161040 /nfs/dbraw/zinc/16/10/40/650161040.db2.gz XODJIYSQPATWMR-UHFFFAOYSA-N 1 3 347.463 -0.614 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCNCCC12CCOCC2 ZINC000911244565 650163041 /nfs/dbraw/zinc/16/30/41/650163041.db2.gz PSYSYEUICCPWAY-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC000911268746 650164376 /nfs/dbraw/zinc/16/43/76/650164376.db2.gz FSRYKPRGRRSRNE-KGLIPLIRSA-N 1 3 339.484 -0.818 20 0 EBADHO CC1(C)CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC000911336403 650172319 /nfs/dbraw/zinc/17/23/19/650172319.db2.gz IFQDBSQFMCAZHX-KBPBESRZSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000911380529 650176961 /nfs/dbraw/zinc/17/69/61/650176961.db2.gz UBNDWQDNGSIKLZ-CABCVRRESA-N 1 3 339.484 -0.946 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911545520 650192767 /nfs/dbraw/zinc/19/27/67/650192767.db2.gz PPSRHLWIURQWKL-CJNGLKHVSA-N 1 3 326.441 -0.588 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000911545520 650192769 /nfs/dbraw/zinc/19/27/69/650192769.db2.gz PPSRHLWIURQWKL-CJNGLKHVSA-N 1 3 326.441 -0.588 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000919517280 650302485 /nfs/dbraw/zinc/30/24/85/650302485.db2.gz NCJYDOCABGBSJC-MCIONIFRSA-N 1 3 325.457 -0.034 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000919517280 650302489 /nfs/dbraw/zinc/30/24/89/650302489.db2.gz NCJYDOCABGBSJC-MCIONIFRSA-N 1 3 325.457 -0.034 20 0 EBADHO NCC(C[NH3+])NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000923353878 650338952 /nfs/dbraw/zinc/33/89/52/650338952.db2.gz FCJNCJXQZXEORT-UHFFFAOYSA-N 1 3 347.463 -0.859 20 0 EBADHO CN1CC(=O)N(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)C1=O ZINC000923430538 650340266 /nfs/dbraw/zinc/34/02/66/650340266.db2.gz GVNBOHSSLBIQCF-GASCZTMLSA-N 1 3 335.452 -0.219 20 0 EBADHO CN1CC(=O)N(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)C1=O ZINC000923430538 650340267 /nfs/dbraw/zinc/34/02/67/650340267.db2.gz GVNBOHSSLBIQCF-GASCZTMLSA-N 1 3 335.452 -0.219 20 0 EBADHO C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925408807 650377486 /nfs/dbraw/zinc/37/74/86/650377486.db2.gz BLUHFSIPPMTYHH-OAGGEKHMSA-N 1 3 339.484 -0.263 20 0 EBADHO C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925408807 650377488 /nfs/dbraw/zinc/37/74/88/650377488.db2.gz BLUHFSIPPMTYHH-OAGGEKHMSA-N 1 3 339.484 -0.263 20 0 EBADHO CCO[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C[NH+](C)C ZINC000926852743 651496947 /nfs/dbraw/zinc/49/69/47/651496947.db2.gz ZPQWQPOVOGAHGX-ZIAGYGMSSA-N 1 3 343.472 -0.286 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000931018010 651620077 /nfs/dbraw/zinc/62/00/77/651620077.db2.gz KLEINPNTJPRFJX-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)C[NH+](C)C ZINC000932469227 651683189 /nfs/dbraw/zinc/68/31/89/651683189.db2.gz NADSQMHNGRXWFO-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601304 652902591 /nfs/dbraw/zinc/90/25/91/652902591.db2.gz OZXDUJXHGGWHHH-OCCSQVGLSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601304 652902592 /nfs/dbraw/zinc/90/25/92/652902592.db2.gz OZXDUJXHGGWHHH-OCCSQVGLSA-N 1 3 335.408 -0.753 20 0 EBADHO CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000946918209 653262050 /nfs/dbraw/zinc/26/20/50/653262050.db2.gz FNVZLTGXFWZOKV-UONOGXRCSA-N 1 3 338.452 -0.746 20 0 EBADHO CN(C)C1(C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)CCC1 ZINC000946925807 653271997 /nfs/dbraw/zinc/27/19/97/653271997.db2.gz UVDDWPCSHRQAJP-CYBMUJFWSA-N 1 3 338.452 -0.698 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC000960171777 722802793 /nfs/dbraw/zinc/80/27/93/722802793.db2.gz CARXPZFTIJOBKB-XUWVNRHRSA-N 1 3 349.479 -0.068 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC000960171777 722802795 /nfs/dbraw/zinc/80/27/95/722802795.db2.gz CARXPZFTIJOBKB-XUWVNRHRSA-N 1 3 349.479 -0.068 20 0 EBADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168759 728814030 /nfs/dbraw/zinc/81/40/30/728814030.db2.gz UNWMHRSAJZSMFG-DHCNJQPXSA-N 1 3 345.447 -0.026 20 0 EBADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168759 728814032 /nfs/dbraw/zinc/81/40/32/728814032.db2.gz UNWMHRSAJZSMFG-DHCNJQPXSA-N 1 3 345.447 -0.026 20 0 EBADHO CN(CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000963394791 723416938 /nfs/dbraw/zinc/41/69/38/723416938.db2.gz MSTIRIZOWVVTJA-YUELXQCFSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000963394791 723416939 /nfs/dbraw/zinc/41/69/39/723416939.db2.gz MSTIRIZOWVVTJA-YUELXQCFSA-N 1 3 338.452 -0.890 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019469968 728895754 /nfs/dbraw/zinc/89/57/54/728895754.db2.gz XHXOWFBVEYRECJ-UONOGXRCSA-N 1 3 336.436 -0.286 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000967925820 724932414 /nfs/dbraw/zinc/93/24/14/724932414.db2.gz RXGGZAQXEBXFRD-KGLIPLIRSA-N 1 3 344.481 -0.693 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000967925824 724932629 /nfs/dbraw/zinc/93/26/29/724932629.db2.gz RXGGZAQXEBXFRD-ZIAGYGMSSA-N 1 3 344.481 -0.693 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC001019574476 728925632 /nfs/dbraw/zinc/92/56/32/728925632.db2.gz DYWZLTHMGFIDQB-DZGCQCFKSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CC[C@H](N[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001019576099 728926360 /nfs/dbraw/zinc/92/63/60/728926360.db2.gz CMRQHRDXMNMDRU-ZFWWWQNUSA-N 1 3 338.452 -0.482 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC000968996792 725140438 /nfs/dbraw/zinc/14/04/38/725140438.db2.gz QDTUXOPNORXQSZ-KGLIPLIRSA-N 1 3 325.457 -0.212 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000969723408 725206687 /nfs/dbraw/zinc/20/66/87/725206687.db2.gz YKHGHYLZFKAVSH-IGQOVBAYSA-N 1 3 336.436 -0.288 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC000969723408 725206689 /nfs/dbraw/zinc/20/66/89/725206689.db2.gz YKHGHYLZFKAVSH-IGQOVBAYSA-N 1 3 336.436 -0.288 20 0 EBADHO CC[C@@H](N[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000970231392 725265356 /nfs/dbraw/zinc/26/53/56/725265356.db2.gz PIFMJSHJEOWRAR-ZIAGYGMSSA-N 1 3 336.440 -0.487 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)cn1 ZINC000970231403 725265530 /nfs/dbraw/zinc/26/55/30/725265530.db2.gz PURRRKBKFYUXKL-ZIAGYGMSSA-N 1 3 334.424 -0.863 20 0 EBADHO CN(CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001051654970 735295894 /nfs/dbraw/zinc/29/58/94/735295894.db2.gz BKCQOOWFSDIAON-HUUCEWRRSA-N 1 3 338.452 -0.482 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000976560497 726350535 /nfs/dbraw/zinc/35/05/35/726350535.db2.gz XYHCMABSCHFILF-AIANPOQGSA-N 1 3 343.431 -0.133 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CC(N)=O)CC2)C1 ZINC000997725065 726461661 /nfs/dbraw/zinc/46/16/61/726461661.db2.gz YGYUCUSEMIGUMT-DZGCQCFKSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346873 726515304 /nfs/dbraw/zinc/51/53/04/726515304.db2.gz GZVRSDHFVUNXNG-QWHCGFSZSA-N 1 3 336.436 -0.144 20 0 EBADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC000999366728 726516536 /nfs/dbraw/zinc/51/65/36/726516536.db2.gz ZLFMBCDGZLFCRM-GXTWGEPZSA-N 1 3 336.436 -0.144 20 0 EBADHO O=C(NCc1cn([C@@H]2CCN(CCO)C2)nn1)[C@H]1C[NH+]2CCC1CC2 ZINC000999986994 726547552 /nfs/dbraw/zinc/54/75/52/726547552.db2.gz MKNCEUNCJBSJAM-CVEARBPZSA-N 1 3 348.451 -0.525 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001000311032 726563561 /nfs/dbraw/zinc/56/35/61/726563561.db2.gz FPSMEJHRBHSHDY-LLVKDONJSA-N 1 3 334.380 -0.915 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001001446414 726606612 /nfs/dbraw/zinc/60/66/12/726606612.db2.gz NGOVUXIXOVQQAV-DLBZAZTESA-N 1 3 347.463 -0.056 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001001446414 726606613 /nfs/dbraw/zinc/60/66/13/726606613.db2.gz NGOVUXIXOVQQAV-DLBZAZTESA-N 1 3 347.463 -0.056 20 0 EBADHO O=C(CN1CCCC1)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002083630 726631920 /nfs/dbraw/zinc/63/19/20/726631920.db2.gz LFNGQTLRUJFRLO-INIZCTEOSA-N 1 3 334.464 -0.001 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051847752 735425674 /nfs/dbraw/zinc/42/56/74/735425674.db2.gz AGUKRKQOHNSQJL-ZIAGYGMSSA-N 1 3 345.407 -0.452 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051847751 735425972 /nfs/dbraw/zinc/42/59/72/735425972.db2.gz AGUKRKQOHNSQJL-UONOGXRCSA-N 1 3 345.407 -0.452 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001012250127 727645637 /nfs/dbraw/zinc/64/56/37/727645637.db2.gz FNRYSBNOROKGEW-UHFFFAOYSA-N 1 3 349.435 -0.266 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC001018861452 728696090 /nfs/dbraw/zinc/69/60/90/728696090.db2.gz UBRRFGTYJMJVCO-QWHCGFSZSA-N 1 3 334.424 -0.863 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001021096371 729282589 /nfs/dbraw/zinc/28/25/89/729282589.db2.gz PMFABBPYIHMMGF-XUXIUFHCSA-N 1 3 336.436 -0.097 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001021096370 729282604 /nfs/dbraw/zinc/28/26/04/729282604.db2.gz PMFABBPYIHMMGF-XDQVBPFNSA-N 1 3 336.436 -0.097 20 0 EBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455631 729495581 /nfs/dbraw/zinc/49/55/81/729495581.db2.gz XJUSIPHQMPTLFO-MMAYTEPVSA-N 1 3 336.436 -0.650 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023130964 729615674 /nfs/dbraw/zinc/61/56/74/729615674.db2.gz PMFABBPYIHMMGF-XJFOESAGSA-N 1 3 336.436 -0.097 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798632 730090339 /nfs/dbraw/zinc/09/03/39/730090339.db2.gz BDOBHNVGYNJLFP-OWYFMNJBSA-N 1 3 346.435 -0.812 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798632 730090340 /nfs/dbraw/zinc/09/03/40/730090340.db2.gz BDOBHNVGYNJLFP-OWYFMNJBSA-N 1 3 346.435 -0.812 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681363 730234031 /nfs/dbraw/zinc/23/40/31/730234031.db2.gz VJGXPMBICHDKTA-HUUCEWRRSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681363 730234033 /nfs/dbraw/zinc/23/40/33/730234033.db2.gz VJGXPMBICHDKTA-HUUCEWRRSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCC(=O)NC1=O ZINC001029887363 730519408 /nfs/dbraw/zinc/51/94/08/730519408.db2.gz BEHARTQWSQZXGH-UONOGXRCSA-N 1 3 348.447 -0.332 20 0 EBADHO O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031857451 730781074 /nfs/dbraw/zinc/78/10/74/730781074.db2.gz VNIDIBVLPRIILX-DFFOAJLQSA-N 1 3 335.448 -0.066 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001035039655 731180085 /nfs/dbraw/zinc/18/00/85/731180085.db2.gz IGMDEWVZFHXUGA-UMVBOHGHSA-N 1 3 338.452 -0.042 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719867 731846617 /nfs/dbraw/zinc/84/66/17/731846617.db2.gz YIVLOOIWACTIFK-QGZVFWFLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001040797611 731879310 /nfs/dbraw/zinc/87/93/10/731879310.db2.gz KLBNJBURWWHJQO-DOTOQJQBSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001043157653 732793906 /nfs/dbraw/zinc/79/39/06/732793906.db2.gz IFYZDRUWNZKLQL-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043157653 732793909 /nfs/dbraw/zinc/79/39/09/732793909.db2.gz IFYZDRUWNZKLQL-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001043157366 732794035 /nfs/dbraw/zinc/79/40/35/732794035.db2.gz AOGHKFLHXFQJCV-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001043157366 732794034 /nfs/dbraw/zinc/79/40/34/732794034.db2.gz AOGHKFLHXFQJCV-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043159867 732795863 /nfs/dbraw/zinc/79/58/63/732795863.db2.gz KNTKBHKHQNCJSB-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043159867 732795865 /nfs/dbraw/zinc/79/58/65/732795865.db2.gz KNTKBHKHQNCJSB-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261100 732847459 /nfs/dbraw/zinc/84/74/59/732847459.db2.gz HGEPDGHKZSUJFB-MGPQQGTHSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261100 732847465 /nfs/dbraw/zinc/84/74/65/732847465.db2.gz HGEPDGHKZSUJFB-MGPQQGTHSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001043275349 732851994 /nfs/dbraw/zinc/85/19/94/732851994.db2.gz VAUXRLUOAZBGMN-UONOGXRCSA-N 1 3 349.435 -0.628 20 0 EBADHO 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C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687727 742066442 /nfs/dbraw/zinc/06/64/42/742066442.db2.gz BWRBMZXQIJVUSJ-FPMFFAJLSA-N 1 3 336.436 -0.145 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001075169017 742195531 /nfs/dbraw/zinc/19/55/31/742195531.db2.gz FLOGNNJNTCOWQN-CJBNDPTMSA-N 1 3 347.419 -0.168 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418269 742964869 /nfs/dbraw/zinc/96/48/69/742964869.db2.gz LMCIVJKSEHRXFK-YLADIXGZSA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418269 742964877 /nfs/dbraw/zinc/96/48/77/742964877.db2.gz LMCIVJKSEHRXFK-YLADIXGZSA-N 1 3 335.448 -0.189 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C ZINC001077494636 743017742 /nfs/dbraw/zinc/01/77/42/743017742.db2.gz WGUVVBHIESBUHO-AWEZNQCLSA-N 1 3 330.473 -0.083 20 0 EBADHO O=C(N1CCCO[C@H](CN[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001078499455 743680731 /nfs/dbraw/zinc/68/07/31/743680731.db2.gz YZWUMMJXLGHZJZ-KGLIPLIRSA-N 1 3 336.436 -0.822 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000976864411 803916366 /nfs/dbraw/zinc/91/63/66/803916366.db2.gz JXZLIQUFCGAFLQ-KSXIZUIISA-N 1 3 334.464 -0.005 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000976864411 803916370 /nfs/dbraw/zinc/91/63/70/803916370.db2.gz JXZLIQUFCGAFLQ-KSXIZUIISA-N 1 3 334.464 -0.005 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976921701 803961055 /nfs/dbraw/zinc/96/10/55/803961055.db2.gz BCIKBNQXBLRXGB-BCUIYNNISA-N 1 3 331.420 -0.215 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976921701 803961060 /nfs/dbraw/zinc/96/10/60/803961060.db2.gz BCIKBNQXBLRXGB-BCUIYNNISA-N 1 3 331.420 -0.215 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)C1 ZINC000977207458 804223869 /nfs/dbraw/zinc/22/38/69/804223869.db2.gz JASSSCGSXWLIMZ-NMNMXBMNSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000977207458 804223876 /nfs/dbraw/zinc/22/38/76/804223876.db2.gz JASSSCGSXWLIMZ-NMNMXBMNSA-N 1 3 334.464 -0.147 20 0 EBADHO C[N@H+](CCN1CCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675149 807560868 /nfs/dbraw/zinc/56/08/68/807560868.db2.gz OUQABUZSNLIVOA-UHFFFAOYSA-N 1 3 334.424 -0.100 20 0 EBADHO C[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675149 807560872 /nfs/dbraw/zinc/56/08/72/807560872.db2.gz OUQABUZSNLIVOA-UHFFFAOYSA-N 1 3 334.424 -0.100 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534140 807953527 /nfs/dbraw/zinc/95/35/27/807953527.db2.gz UIVNXCUYWRENMH-CHWSQXEVSA-N 1 3 337.424 -0.787 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC1 ZINC000991573864 809660481 /nfs/dbraw/zinc/66/04/81/809660481.db2.gz PJWUHGIKFOITFJ-LSDHHAIUSA-N 1 3 349.435 -0.628 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214343920 810240500 /nfs/dbraw/zinc/24/05/00/810240500.db2.gz JTFKTWYFPUKWOU-KFWWJZLASA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599057 810337255 /nfs/dbraw/zinc/33/72/55/810337255.db2.gz PDHNSFUYBOUNPH-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216510980 810375246 /nfs/dbraw/zinc/37/52/46/810375246.db2.gz HLVSQPJQINAUFH-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001216511632 810375433 /nfs/dbraw/zinc/37/54/33/810375433.db2.gz XZRLVGXSTQFCPG-BZUAXINKSA-N 1 3 345.484 -0.211 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851863 810396365 /nfs/dbraw/zinc/39/63/65/810396365.db2.gz JRHFZBWSBNQQPV-BZUAXINKSA-N 1 3 345.484 -0.213 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217962314 810469755 /nfs/dbraw/zinc/46/97/55/810469755.db2.gz ZGHUTCTXHDCYEB-IUCAKERBSA-N 1 3 342.371 -0.161 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]C[C@H]1F ZINC001218064984 810474844 /nfs/dbraw/zinc/47/48/44/810474844.db2.gz CEIRBTSFVVKESQ-BDAKNGLRSA-N 1 3 342.371 -0.161 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC12C[NH2+]C2 ZINC001218239547 810484632 /nfs/dbraw/zinc/48/46/32/810484632.db2.gz HNLFBNPWEIUAGM-VIFPVBQESA-N 1 3 336.392 -0.109 20 0 EBADHO O=C(Nc1cncc(N2CCOCC2)n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218575443 810505287 /nfs/dbraw/zinc/50/52/87/810505287.db2.gz HJIJVEQZAQYIJJ-MLGOLLRUSA-N 1 3 332.408 -0.549 20 0 EBADHO O=C(Nc1ncnc2c1ncn2[C@@H]1CCCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001218644955 810515216 /nfs/dbraw/zinc/51/52/16/810515216.db2.gz ZCPRXKZJFNFSNI-MNOVXSKESA-N 1 3 343.391 -0.117 20 0 EBADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1COC2(CNC2)CN1 ZINC001218726592 810524253 /nfs/dbraw/zinc/52/42/53/810524253.db2.gz MTJXEFCTGKSIRR-CHWSQXEVSA-N 1 3 333.392 -0.909 20 0 EBADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218891375 810541842 /nfs/dbraw/zinc/54/18/42/810541842.db2.gz OGORPGXHLICKMI-ZDUSSCGKSA-N 1 3 328.438 -0.217 20 0 EBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736942 810816875 /nfs/dbraw/zinc/81/68/75/810816875.db2.gz LFRWEDLJGJCHGM-VXGBXAGGSA-N 1 3 327.425 -0.070 20 0 EBADHO N[C@H]1CCCCN(CC(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1=O ZINC001219743884 810819803 /nfs/dbraw/zinc/81/98/03/810819803.db2.gz ONEKNTCCMYZNEB-KGLIPLIRSA-N 1 3 338.452 -0.256 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788953 810841647 /nfs/dbraw/zinc/84/16/47/810841647.db2.gz TZDVNEHQJJFPFJ-OCCSQVGLSA-N 1 3 336.440 -0.510 20 0 EBADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)c1cc2n(n1)CCNC2 ZINC001219798315 810845407 /nfs/dbraw/zinc/84/54/07/810845407.db2.gz SKLZEEVUJFJOCM-UHFFFAOYSA-N 1 3 332.452 -0.068 20 0 EBADHO N[C@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CCC2(CC1)OCCO2 ZINC001219831336 810865623 /nfs/dbraw/zinc/86/56/23/810865623.db2.gz GZLNOQSFSLXJKO-KBXIAJHMSA-N 1 3 339.436 -0.260 20 0 EBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219847422 810878483 /nfs/dbraw/zinc/87/84/83/810878483.db2.gz GOEXETHEWGJUNJ-YYFQZIEXSA-N 1 3 336.436 -0.635 20 0 EBADHO Cn1cc(Br)cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1=O ZINC001219881394 810892586 /nfs/dbraw/zinc/89/25/86/810892586.db2.gz WVVQXWQCJZCTBD-VIFPVBQESA-N 1 3 341.209 -0.105 20 0 EBADHO N[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)C1CC[NH2+]CC1 ZINC001219901452 810901074 /nfs/dbraw/zinc/90/10/74/810901074.db2.gz JYWBVYWTSGSFQK-QEORTHHSSA-N 1 3 332.404 -0.063 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315234 811052715 /nfs/dbraw/zinc/05/27/15/811052715.db2.gz AWJNVSWJABVUSV-LOUJCGABSA-N 1 3 340.468 -0.108 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320406 811056173 /nfs/dbraw/zinc/05/61/73/811056173.db2.gz NHFJVEOUUNSNJN-CQJJVWNLSA-N 1 3 326.441 -0.497 20 0 EBADHO COCCN1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372618 811076712 /nfs/dbraw/zinc/07/67/12/811076712.db2.gz GZHZXXDRKZIVQY-SJORKVTESA-N 1 3 335.448 -0.031 20 0 EBADHO COCCN1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372618 811076721 /nfs/dbraw/zinc/07/67/21/811076721.db2.gz GZHZXXDRKZIVQY-SJORKVTESA-N 1 3 335.448 -0.031 20 0 EBADHO COCC[N@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372618 811076730 /nfs/dbraw/zinc/07/67/30/811076730.db2.gz GZHZXXDRKZIVQY-SJORKVTESA-N 1 3 335.448 -0.031 20 0 EBADHO COCC[N@@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372618 811076739 /nfs/dbraw/zinc/07/67/39/811076739.db2.gz GZHZXXDRKZIVQY-SJORKVTESA-N 1 3 335.448 -0.031 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036197116 811117524 /nfs/dbraw/zinc/11/75/24/811117524.db2.gz DETAJMGNAMVKNP-YPMHNXCESA-N 1 3 348.407 -0.669 20 0 EBADHO CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)CC[NH2+]C1 ZINC001220522619 811138870 /nfs/dbraw/zinc/13/88/70/811138870.db2.gz BKXTZXIINJWQFZ-HZMBPMFUSA-N 1 3 340.424 -0.597 20 0 EBADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220567608 811157605 /nfs/dbraw/zinc/15/76/05/811157605.db2.gz HFNFPKCQYDPUNR-LSDHHAIUSA-N 1 3 334.420 -0.001 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220649148 811187106 /nfs/dbraw/zinc/18/71/06/811187106.db2.gz SUEJLWCEAQKOPT-CQSZACIVSA-N 1 3 348.451 -0.512 20 0 EBADHO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220766062 811233122 /nfs/dbraw/zinc/23/31/22/811233122.db2.gz KZYGKTPPBRSVMR-XDQVBPFNSA-N 1 3 340.468 -0.291 20 0 EBADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220770194 811236271 /nfs/dbraw/zinc/23/62/71/811236271.db2.gz VOPMRFLGRYNHSI-KBPBESRZSA-N 1 3 349.435 -0.505 20 0 EBADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220770194 811236275 /nfs/dbraw/zinc/23/62/75/811236275.db2.gz VOPMRFLGRYNHSI-KBPBESRZSA-N 1 3 349.435 -0.505 20 0 EBADHO O=C(CNC(=O)[C@H]1C[NH2+]CCN1)N1CCN(C2CCCCC2)CC1 ZINC001220900147 811286509 /nfs/dbraw/zinc/28/65/09/811286509.db2.gz BRBARXINDABXRI-OAHLLOKOSA-N 1 3 337.468 -0.859 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001220923833 811296095 /nfs/dbraw/zinc/29/60/95/811296095.db2.gz LKBBCPFXPGSAQP-AWEZNQCLSA-N 1 3 348.513 -0.167 20 0 EBADHO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220981484 811324537 /nfs/dbraw/zinc/32/45/37/811324537.db2.gz VIVRRGDVLUBKGP-KFWWJZLASA-N 1 3 329.441 -0.848 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220981484 811324550 /nfs/dbraw/zinc/32/45/50/811324550.db2.gz VIVRRGDVLUBKGP-KFWWJZLASA-N 1 3 329.441 -0.848 20 0 EBADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1COC2(CNC2)CN1 ZINC001221121408 811385609 /nfs/dbraw/zinc/38/56/09/811385609.db2.gz DPXBSTDKOFWOIA-CQSZACIVSA-N 1 3 331.420 -0.893 20 0 EBADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001221366393 811447403 /nfs/dbraw/zinc/44/74/03/811447403.db2.gz OJQFZYLWJUPNTA-LSDHHAIUSA-N 1 3 335.404 -0.050 20 0 EBADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001079489555 811559521 /nfs/dbraw/zinc/55/95/21/811559521.db2.gz FJMVYMZYGCDWJO-MCIONIFRSA-N 1 3 336.436 -0.334 20 0 EBADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001079489555 811559526 /nfs/dbraw/zinc/55/95/26/811559526.db2.gz FJMVYMZYGCDWJO-MCIONIFRSA-N 1 3 336.436 -0.334 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520836 811637173 /nfs/dbraw/zinc/63/71/73/811637173.db2.gz LGMIOKXKEPTKGC-XUJVJEKNSA-N 1 3 328.407 -0.111 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520836 811637179 /nfs/dbraw/zinc/63/71/79/811637179.db2.gz LGMIOKXKEPTKGC-XUJVJEKNSA-N 1 3 328.407 -0.111 20 0 EBADHO C[NH+](C)CCC(=O)NCC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001224347207 811759315 /nfs/dbraw/zinc/75/93/15/811759315.db2.gz XPLFIWMBUWIOIF-UHFFFAOYSA-N 1 3 339.440 -0.682 20 0 EBADHO CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080139218 811913249 /nfs/dbraw/zinc/91/32/49/811913249.db2.gz ZGMQVITUHUENPY-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001080146789 811918374 /nfs/dbraw/zinc/91/83/74/811918374.db2.gz UEBIBZMPOQXITL-HNNXBMFYSA-N 1 3 342.484 -0.036 20 0 EBADHO CC[C@@H](C(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1)N(C)C ZINC001229253396 812022746 /nfs/dbraw/zinc/02/27/46/812022746.db2.gz FPDUZHOMPSQFLW-HOTGVXAUSA-N 1 3 345.484 -0.069 20 0 EBADHO S=C(NCCN1CCOCC1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363840 812552357 /nfs/dbraw/zinc/55/23/57/812552357.db2.gz QFPHLQMDHHEKMC-AWEZNQCLSA-N 1 3 341.525 -0.343 20 0 EBADHO [NH3+]CCCC[C@H](NC[C@H](O)CN1CCOCC1)C(=O)N1CCCC1 ZINC001246022371 812559999 /nfs/dbraw/zinc/55/99/99/812559999.db2.gz XSJMWRYBJRUZET-HOTGVXAUSA-N 1 3 342.484 -0.611 20 0 EBADHO COC(=O)[C@@H]1C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555358 812575567 /nfs/dbraw/zinc/57/55/67/812575567.db2.gz XKBPLMSVSPBBSI-ZWUHOBOKSA-N 1 3 328.409 -0.097 20 0 EBADHO O=C([C@@H]1C[C@H](N2CCC[C@@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647059 812577971 /nfs/dbraw/zinc/57/79/71/812577971.db2.gz GRRMYARDZVATGC-OFQRWUPVSA-N 1 3 340.493 -0.296 20 0 EBADHO NC(=O)c1cccnc1N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246848288 812590535 /nfs/dbraw/zinc/59/05/35/812590535.db2.gz YBXZTGOIAVDSRW-ZDUSSCGKSA-N 1 3 330.436 -0.604 20 0 EBADHO O=C1CC2(C[NH2+]C2)[C@H](c2nc(-c3ccc4c(n3)CCNC4)no2)N1 ZINC001247870588 812603548 /nfs/dbraw/zinc/60/35/48/812603548.db2.gz OCYJNXCJGRDXRP-ZDUSSCGKSA-N 1 3 326.360 -0.072 20 0 EBADHO NCCC[NH2+]CCCCn1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC001254163776 812698167 /nfs/dbraw/zinc/69/81/67/812698167.db2.gz XUMMFZOHNYVPBZ-UHFFFAOYSA-N 1 3 344.485 -0.773 20 0 EBADHO [NH3+]CCN1CCC[C@@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)C1=O ZINC001263160597 813107878 /nfs/dbraw/zinc/10/78/78/813107878.db2.gz IOGQLBSAFIKMRX-GJZGRUSLSA-N 1 3 338.452 -0.447 20 0 EBADHO CC(C)(C(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001265441688 813324791 /nfs/dbraw/zinc/32/47/91/813324791.db2.gz PTEYHSNGGIUHIP-ZDUSSCGKSA-N 1 3 346.497 -0.400 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081636894 813346655 /nfs/dbraw/zinc/34/66/55/813346655.db2.gz GRDYRJSBANKVOC-JSGCOSHPSA-N 1 3 337.424 -0.852 20 0 EBADHO CN(CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)S(C)(=O)=O ZINC001266018885 813439349 /nfs/dbraw/zinc/43/93/49/813439349.db2.gz WBWBVFJRRXNMGO-GFCCVEGCSA-N 1 3 343.453 -0.718 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001266015600 813439474 /nfs/dbraw/zinc/43/94/74/813439474.db2.gz HNYNUWZKYLAKGW-KBPBESRZSA-N 1 3 325.457 -0.210 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001081702963 813441462 /nfs/dbraw/zinc/44/14/62/813441462.db2.gz KKYMKYOKWQGSOW-GXTWGEPZSA-N 1 3 337.424 -0.771 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079959 813452561 /nfs/dbraw/zinc/45/25/61/813452561.db2.gz XBSWANZLMIMAMN-KBPBESRZSA-N 1 3 348.513 -0.107 20 0 EBADHO CN(CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001081736012 813494648 /nfs/dbraw/zinc/49/46/48/813494648.db2.gz SAUPNUXZWJXEEI-DZGCQCFKSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001081775066 813544452 /nfs/dbraw/zinc/54/44/52/813544452.db2.gz WVPPSIOGAAWKMT-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081775066 813544455 /nfs/dbraw/zinc/54/44/55/813544455.db2.gz WVPPSIOGAAWKMT-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)[C@H]1CCCN1C ZINC001266659533 813634031 /nfs/dbraw/zinc/63/40/31/813634031.db2.gz FAJKUEJAXRCMIL-CYBMUJFWSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@H]1CCCN1C ZINC001266660116 813634392 /nfs/dbraw/zinc/63/43/92/813634392.db2.gz KEWFVEHKIDYJKD-GOEBONIOSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266960012 813710901 /nfs/dbraw/zinc/71/09/01/813710901.db2.gz AUWLTIATKFZATI-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCN1C(=O)CNC1=O ZINC001266971309 813714784 /nfs/dbraw/zinc/71/47/84/813714784.db2.gz LDQPLVGMOJXNPE-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001267001830 813728018 /nfs/dbraw/zinc/72/80/18/813728018.db2.gz BJYDQVHTEXMZOZ-KGLIPLIRSA-N 1 3 328.457 -0.737 20 0 EBADHO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267069012 813751347 /nfs/dbraw/zinc/75/13/47/813751347.db2.gz NBYPZBMWSZVUJB-CYBMUJFWSA-N 1 3 332.470 -0.931 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267380504 813867515 /nfs/dbraw/zinc/86/75/15/813867515.db2.gz PUMNTQHZAYQNSL-RYUDHWBXSA-N 1 3 330.404 -0.481 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)N1CCOCC1)[NH+](C)C ZINC001267387238 813871634 /nfs/dbraw/zinc/87/16/34/813871634.db2.gz KWYJOLACEQLTEL-HNNXBMFYSA-N 1 3 328.457 -0.521 20 0 EBADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001267444874 813898397 /nfs/dbraw/zinc/89/83/97/813898397.db2.gz QRBJPMRYGYFLQY-UHFFFAOYSA-N 1 3 348.513 -0.342 20 0 EBADHO CNC(=O)NC(=O)C[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001267499349 813916728 /nfs/dbraw/zinc/91/67/28/813916728.db2.gz SLWDBPFBKXGBGA-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001267499349 813916733 /nfs/dbraw/zinc/91/67/33/813916733.db2.gz SLWDBPFBKXGBGA-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082766721 814006606 /nfs/dbraw/zinc/00/66/06/814006606.db2.gz VBULCFHXXGCDCS-MBNYWOFBSA-N 1 3 340.449 -0.177 20 0 EBADHO C[C@H](C(=O)NC[C@H](O)C[NH2+]CCn1cncn1)N1CCCCCC1 ZINC001268323831 814202015 /nfs/dbraw/zinc/20/20/15/814202015.db2.gz KOOPTEUTZFBYLP-HUUCEWRRSA-N 1 3 338.456 -0.391 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268645816 814335526 /nfs/dbraw/zinc/33/55/26/814335526.db2.gz ILPJISBPOSMGLM-CHWSQXEVSA-N 1 3 339.440 -0.495 20 0 EBADHO CS(=O)(=O)CCNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269135997 814546732 /nfs/dbraw/zinc/54/67/32/814546732.db2.gz RTPACCJRJPIWAD-CYBMUJFWSA-N 1 3 329.466 -0.389 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001269173006 814565123 /nfs/dbraw/zinc/56/51/23/814565123.db2.gz NLSUNIPUULVKCU-CQSZACIVSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001269173006 814565125 /nfs/dbraw/zinc/56/51/25/814565125.db2.gz NLSUNIPUULVKCU-CQSZACIVSA-N 1 3 338.452 -0.670 20 0 EBADHO CS(=O)(=O)CCNC[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270050818 815674461 /nfs/dbraw/zinc/67/44/61/815674461.db2.gz PKSNSWVLGVJZJL-HUUCEWRRSA-N 1 3 343.493 -0.047 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373004 816310461 /nfs/dbraw/zinc/31/04/61/816310461.db2.gz HHCKDODCFSCNCN-YXWQFLTLSA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086373004 816310467 /nfs/dbraw/zinc/31/04/67/816310467.db2.gz HHCKDODCFSCNCN-YXWQFLTLSA-N 1 3 348.451 -0.337 20 0 EBADHO CC(C)NC(=O)CNCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272169319 816337148 /nfs/dbraw/zinc/33/71/48/816337148.db2.gz SGOOBDXYTSIIAQ-HNNXBMFYSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCNCCS(C)(=O)=O)CC[N@@H+]1C ZINC001272242732 816367632 /nfs/dbraw/zinc/36/76/32/816367632.db2.gz JYUUIOJIRTXLOX-KBPBESRZSA-N 1 3 349.497 -0.828 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCNCCS(C)(=O)=O)CC[N@H+]1C ZINC001272242732 816367640 /nfs/dbraw/zinc/36/76/40/816367640.db2.gz JYUUIOJIRTXLOX-KBPBESRZSA-N 1 3 349.497 -0.828 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001272294785 816388928 /nfs/dbraw/zinc/38/89/28/816388928.db2.gz CYPDCQVXIMIBLG-KGLIPLIRSA-N 1 3 328.457 -0.737 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383675 816416823 /nfs/dbraw/zinc/41/68/23/816416823.db2.gz ITUIVHQUGAWQCE-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCN(C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272556116 816473212 /nfs/dbraw/zinc/47/32/12/816473212.db2.gz VVRVWEHCZJXTDO-YOEHRIQHSA-N 1 3 337.468 -0.955 20 0 EBADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCN(C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272556116 816473217 /nfs/dbraw/zinc/47/32/17/816473217.db2.gz VVRVWEHCZJXTDO-YOEHRIQHSA-N 1 3 337.468 -0.955 20 0 EBADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001272565729 816477533 /nfs/dbraw/zinc/47/75/33/816477533.db2.gz PMIIGMFCGFYYEL-OAHLLOKOSA-N 1 3 332.452 -0.727 20 0 EBADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001272565729 816477537 /nfs/dbraw/zinc/47/75/37/816477537.db2.gz PMIIGMFCGFYYEL-OAHLLOKOSA-N 1 3 332.452 -0.727 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001087256694 816485668 /nfs/dbraw/zinc/48/56/68/816485668.db2.gz GBVYVBCUMZGPQS-OLZOCXBDSA-N 1 3 335.408 -0.229 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001087256694 816485672 /nfs/dbraw/zinc/48/56/72/816485672.db2.gz GBVYVBCUMZGPQS-OLZOCXBDSA-N 1 3 335.408 -0.229 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261917 816495073 /nfs/dbraw/zinc/49/50/73/816495073.db2.gz GVSKNWJKJMWWKV-CHWSQXEVSA-N 1 3 349.435 -0.124 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261917 816495079 /nfs/dbraw/zinc/49/50/79/816495079.db2.gz GVSKNWJKJMWWKV-CHWSQXEVSA-N 1 3 349.435 -0.124 20 0 EBADHO CCOC(=O)CCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273469284 816680164 /nfs/dbraw/zinc/68/01/64/816680164.db2.gz DYZBHPOPUNFQQI-MRXNPFEDSA-N 1 3 327.425 -0.196 20 0 EBADHO C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046908 816846879 /nfs/dbraw/zinc/84/68/79/816846879.db2.gz JNBPQUPTMAGCOF-SJLPKXTDSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046908 816846889 /nfs/dbraw/zinc/84/68/89/816846889.db2.gz JNBPQUPTMAGCOF-SJLPKXTDSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001274209179 816895169 /nfs/dbraw/zinc/89/51/69/816895169.db2.gz YPFFKBPBVBCCNC-GXTWGEPZSA-N 1 3 346.497 -0.544 20 0 EBADHO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089894471 816935166 /nfs/dbraw/zinc/93/51/66/816935166.db2.gz UZFDVVNQZFGADC-VGWMRTNUSA-N 1 3 346.475 -0.003 20 0 EBADHO CC(C)OC[C@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628568 817045741 /nfs/dbraw/zinc/04/57/41/817045741.db2.gz UWZWFXVKUSUNRB-WBVHZDCISA-N 1 3 343.468 -0.363 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001276048730 817348105 /nfs/dbraw/zinc/34/81/05/817348105.db2.gz XBTCKGSBACNOEF-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277916523 817655938 /nfs/dbraw/zinc/65/59/38/817655938.db2.gz KMXBYUYVHWUNPC-QWHCGFSZSA-N 1 3 337.424 -0.787 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729802 817705276 /nfs/dbraw/zinc/70/52/76/817705276.db2.gz AFKLFVKDWGLYJR-HOTGVXAUSA-N 1 3 347.463 -0.390 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279736767 817978679 /nfs/dbraw/zinc/97/86/79/817978679.db2.gz FQOZLEPXXMTPRE-HUUCEWRRSA-N 1 3 340.468 -0.450 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001279736767 817978685 /nfs/dbraw/zinc/97/86/85/817978685.db2.gz FQOZLEPXXMTPRE-HUUCEWRRSA-N 1 3 340.468 -0.450 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999601 818010589 /nfs/dbraw/zinc/01/05/89/818010589.db2.gz NXGAQGZBPWRWDM-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001280273792 818030689 /nfs/dbraw/zinc/03/06/89/818030689.db2.gz JGHQQSQOEQWSNK-LBPRGKRZSA-N 1 3 327.429 -0.649 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001281626853 818237705 /nfs/dbraw/zinc/23/77/05/818237705.db2.gz LHAHQSFUZXGBCZ-CQSZACIVSA-N 1 3 329.441 -0.967 20 0 EBADHO CN(C[C@@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001282025576 818335199 /nfs/dbraw/zinc/33/51/99/818335199.db2.gz HXHCLXXDDRARNG-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCN1C(=O)CCC1=O ZINC001282448868 818432563 /nfs/dbraw/zinc/43/25/63/818432563.db2.gz HQXMQXFQVVHYSR-ZDUSSCGKSA-N 1 3 338.452 -0.086 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001283925467 819030892 /nfs/dbraw/zinc/03/08/92/819030892.db2.gz DAROVZLBYIRXPV-QWHCGFSZSA-N 1 3 334.486 -0.544 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](CCO)CCCO)CC1)C1CC1 ZINC001098392445 819168062 /nfs/dbraw/zinc/16/80/62/819168062.db2.gz RIVSENDFXBYUCU-MRXNPFEDSA-N 1 3 327.469 -0.006 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](CCO)CCCO)CC1)C1CC1 ZINC001098392445 819168067 /nfs/dbraw/zinc/16/80/67/819168067.db2.gz RIVSENDFXBYUCU-MRXNPFEDSA-N 1 3 327.469 -0.006 20 0 EBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001098477588 819207308 /nfs/dbraw/zinc/20/73/08/819207308.db2.gz AVVZSQMVELMXDS-GJZGRUSLSA-N 1 3 327.469 -0.006 20 0 EBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001098477588 819207312 /nfs/dbraw/zinc/20/73/12/819207312.db2.gz AVVZSQMVELMXDS-GJZGRUSLSA-N 1 3 327.469 -0.006 20 0 EBADHO CCN(CC)CC(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1 ZINC001098506216 819221946 /nfs/dbraw/zinc/22/19/46/819221946.db2.gz OLFRSKWEYIWTJK-INIZCTEOSA-N 1 3 345.484 -0.379 20 0 EBADHO CCN(CC)CC(=O)N1CCC([N@@H+](CCO)C[C@H](O)COC)CC1 ZINC001098506216 819221953 /nfs/dbraw/zinc/22/19/53/819221953.db2.gz OLFRSKWEYIWTJK-INIZCTEOSA-N 1 3 345.484 -0.379 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099159916 819427381 /nfs/dbraw/zinc/42/73/81/819427381.db2.gz MBIQRDJDAJEZGT-MPGHIAIKSA-N 1 3 349.479 -0.066 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099159916 819427382 /nfs/dbraw/zinc/42/73/82/819427382.db2.gz MBIQRDJDAJEZGT-MPGHIAIKSA-N 1 3 349.479 -0.066 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1)N(C)C ZINC001100683596 820511036 /nfs/dbraw/zinc/51/10/36/820511036.db2.gz JKHLXNGFQVOUCO-GPANFISMSA-N 1 3 342.484 -0.036 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683883 820511187 /nfs/dbraw/zinc/51/11/87/820511187.db2.gz WQVGLMJEVGEEBW-NRXISQOPSA-N 1 3 342.484 -0.036 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100770893 820547113 /nfs/dbraw/zinc/54/71/13/820547113.db2.gz PCBNZLKOTJFJRF-UHFFFAOYSA-N 1 3 338.452 -0.038 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100904681 820595213 /nfs/dbraw/zinc/59/52/13/820595213.db2.gz BGFYPNMXJGCLIQ-UHFFFAOYSA-N 1 3 338.452 -0.038 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101035833 820660160 /nfs/dbraw/zinc/66/01/60/820660160.db2.gz BAASLIBYCFIGAZ-GPANFISMSA-N 1 3 345.484 -0.165 20 0 EBADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513622 821134796 /nfs/dbraw/zinc/13/47/96/821134796.db2.gz UFYQISPVBAPQDJ-RBSFLKMASA-N 1 3 340.468 -0.521 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001317627778 822183557 /nfs/dbraw/zinc/18/35/57/822183557.db2.gz XGCOPSDPFZPQKW-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001106666488 822308859 /nfs/dbraw/zinc/30/88/59/822308859.db2.gz MJVXGBQCALQISK-JHJVBQTASA-N 1 3 339.440 -0.793 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106705256 822314508 /nfs/dbraw/zinc/31/45/08/822314508.db2.gz ZAERMYGXDBLFQW-FMKPAKJESA-N 1 3 346.435 -0.106 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001128784944 828526654 /nfs/dbraw/zinc/52/66/54/828526654.db2.gz PHIZTZJNMAKZQW-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001128784944 828526656 /nfs/dbraw/zinc/52/66/56/828526656.db2.gz PHIZTZJNMAKZQW-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363585 828604960 /nfs/dbraw/zinc/60/49/60/828604960.db2.gz KAQHDHWEMQXEQS-GXTWGEPZSA-N 1 3 326.441 -0.530 20 0 EBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363585 828604964 /nfs/dbraw/zinc/60/49/64/828604964.db2.gz KAQHDHWEMQXEQS-GXTWGEPZSA-N 1 3 326.441 -0.530 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429448 828617098 /nfs/dbraw/zinc/61/70/98/828617098.db2.gz GNMHKRORVFIICA-AWEZNQCLSA-N 1 3 346.497 -0.352 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429448 828617102 /nfs/dbraw/zinc/61/71/02/828617102.db2.gz GNMHKRORVFIICA-AWEZNQCLSA-N 1 3 346.497 -0.352 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001129423891 828617247 /nfs/dbraw/zinc/61/72/47/828617247.db2.gz YFZDNKNVTOXNAT-CYBMUJFWSA-N 1 3 334.486 -0.496 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001129423891 828617250 /nfs/dbraw/zinc/61/72/50/828617250.db2.gz YFZDNKNVTOXNAT-CYBMUJFWSA-N 1 3 334.486 -0.496 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849629 828681257 /nfs/dbraw/zinc/68/12/57/828681257.db2.gz NWHVDXKWJCGRNM-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849629 828681260 /nfs/dbraw/zinc/68/12/60/828681260.db2.gz NWHVDXKWJCGRNM-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981501 824826620 /nfs/dbraw/zinc/82/66/20/824826620.db2.gz TVVUMZUIXAUSLD-OAGGEKHMSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981080 824826782 /nfs/dbraw/zinc/82/67/82/824826782.db2.gz IPAAZLSSQZEWQO-FPCVCCKLSA-N 1 3 343.468 -0.317 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947069 828698402 /nfs/dbraw/zinc/69/84/02/828698402.db2.gz IKORWHDQTGYGOE-ZDUSSCGKSA-N 1 3 336.502 -0.392 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947140 828698811 /nfs/dbraw/zinc/69/88/11/828698811.db2.gz LKLASUJYWHCEFV-NEPJUHHUSA-N 1 3 329.445 -0.487 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129994195 828710357 /nfs/dbraw/zinc/71/03/57/828710357.db2.gz AOWDREZGDGJGAT-QLFBSQMISA-N 1 3 338.456 -0.148 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173873 828744949 /nfs/dbraw/zinc/74/49/49/828744949.db2.gz SAZMJPKWPPULSV-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO C[C@H](O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194352 825400733 /nfs/dbraw/zinc/40/07/33/825400733.db2.gz ZZTSHSYFNABCGF-QJPTWQEYSA-N 1 3 341.374 -0.076 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C ZINC001179861136 833018351 /nfs/dbraw/zinc/01/83/51/833018351.db2.gz MUVZDELNJSRYNR-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C ZINC001179861136 833018361 /nfs/dbraw/zinc/01/83/61/833018361.db2.gz MUVZDELNJSRYNR-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001114589448 826293321 /nfs/dbraw/zinc/29/33/21/826293321.db2.gz HWUZXIRMBXOUER-ZBKZBXIDSA-N 1 3 335.448 -0.068 20 0 EBADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001114589448 826293324 /nfs/dbraw/zinc/29/33/24/826293324.db2.gz HWUZXIRMBXOUER-ZBKZBXIDSA-N 1 3 335.448 -0.068 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114606456 826296353 /nfs/dbraw/zinc/29/63/53/826296353.db2.gz FTVQQBBNZRQDDY-HZMVEIRTSA-N 1 3 337.464 -0.084 20 0 EBADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001180123661 833045641 /nfs/dbraw/zinc/04/56/41/833045641.db2.gz KCBCBOQTJWFXAC-UHFFFAOYSA-N 1 3 329.445 -0.211 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)CC1 ZINC001115038369 826406168 /nfs/dbraw/zinc/40/61/68/826406168.db2.gz LBSNPSQPJFPUBN-QLPKVWCKSA-N 1 3 348.451 -0.565 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115153835 826433988 /nfs/dbraw/zinc/43/39/88/826433988.db2.gz BWUGYLZVXCVTNZ-IATRGZMQSA-N 1 3 336.436 -0.430 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115153835 826433990 /nfs/dbraw/zinc/43/39/90/826433990.db2.gz BWUGYLZVXCVTNZ-IATRGZMQSA-N 1 3 336.436 -0.430 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001180226820 833060120 /nfs/dbraw/zinc/06/01/20/833060120.db2.gz OFPILAFQEGKUOS-STQMWFEESA-N 1 3 334.486 -0.545 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001118276975 826895132 /nfs/dbraw/zinc/89/51/32/826895132.db2.gz DADYTZKTGYQGAW-CQSZACIVSA-N 1 3 328.457 -0.343 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118678533 826982008 /nfs/dbraw/zinc/98/20/08/826982008.db2.gz JQPNAARKLCJDOV-AWEZNQCLSA-N 1 3 326.441 -0.624 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001119824290 827148744 /nfs/dbraw/zinc/14/87/44/827148744.db2.gz XTFSCISZZFSOLU-WMLDXEAASA-N 1 3 340.468 -0.519 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001119824290 827148748 /nfs/dbraw/zinc/14/87/48/827148748.db2.gz XTFSCISZZFSOLU-WMLDXEAASA-N 1 3 340.468 -0.519 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120448519 827225881 /nfs/dbraw/zinc/22/58/81/827225881.db2.gz BITIEHICOQMOQH-CABCVRRESA-N 1 3 340.468 -0.247 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001120530963 827240842 /nfs/dbraw/zinc/24/08/42/827240842.db2.gz PPIGUZRSWAKTSF-VNHYZAJKSA-N 1 3 338.452 -0.672 20 0 EBADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2)N(C)C ZINC001121302080 827338018 /nfs/dbraw/zinc/33/80/18/827338018.db2.gz MSGLEHVPLXXVMI-FUQGYSAHSA-N 1 3 339.440 -0.462 20 0 EBADHO CS(=O)(=O)CCN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623679 833248957 /nfs/dbraw/zinc/24/89/57/833248957.db2.gz SOUKUIJSPTVONG-KGLIPLIRSA-N 1 3 329.466 -0.437 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182693620 833253390 /nfs/dbraw/zinc/25/33/90/833253390.db2.gz ZSYZJXLZKNISKK-HZSPNIEDSA-N 1 3 331.482 -0.048 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001182693620 833253394 /nfs/dbraw/zinc/25/33/94/833253394.db2.gz ZSYZJXLZKNISKK-HZSPNIEDSA-N 1 3 331.482 -0.048 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182965487 833271331 /nfs/dbraw/zinc/27/13/31/833271331.db2.gz ZXLYNHFKKQRUOR-MNOVXSKESA-N 1 3 331.392 -0.948 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866923 827969470 /nfs/dbraw/zinc/96/94/70/827969470.db2.gz NXBIYPLRJRPCDL-NEPJUHHUSA-N 1 3 327.429 -0.591 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183256570 833285181 /nfs/dbraw/zinc/28/51/81/833285181.db2.gz ZQAJGSPTRKBQDV-OLZOCXBDSA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183256570 833285185 /nfs/dbraw/zinc/28/51/85/833285185.db2.gz ZQAJGSPTRKBQDV-OLZOCXBDSA-N 1 3 339.440 -0.365 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437551 833290433 /nfs/dbraw/zinc/29/04/33/833290433.db2.gz XKKRWYFBLGZMLX-YPMHNXCESA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450743 833291008 /nfs/dbraw/zinc/29/10/08/833291008.db2.gz YFUKDPNOJOZAAK-XQQFMLRXSA-N 1 3 341.456 -0.393 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647355 833298068 /nfs/dbraw/zinc/29/80/68/833298068.db2.gz FMIXIWZPVUSLEP-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127067516 828247175 /nfs/dbraw/zinc/24/71/75/828247175.db2.gz ZCYIVWOUWIEHLI-AWEZNQCLSA-N 1 3 328.457 -0.282 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127067516 828247180 /nfs/dbraw/zinc/24/71/80/828247180.db2.gz ZCYIVWOUWIEHLI-AWEZNQCLSA-N 1 3 328.457 -0.282 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065862 828247231 /nfs/dbraw/zinc/24/72/31/828247231.db2.gz GEVSPYUBEGXUBW-ZDUSSCGKSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065862 828247235 /nfs/dbraw/zinc/24/72/35/828247235.db2.gz GEVSPYUBEGXUBW-ZDUSSCGKSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001127066739 828247548 /nfs/dbraw/zinc/24/75/48/828247548.db2.gz RSXHURWPWYSUGH-GJZGRUSLSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001127066739 828247556 /nfs/dbraw/zinc/24/75/56/828247556.db2.gz RSXHURWPWYSUGH-GJZGRUSLSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)(C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)N1CCCCC1 ZINC001127327583 828278739 /nfs/dbraw/zinc/27/87/39/828278739.db2.gz QGJFAAOIOUCZTG-UHFFFAOYSA-N 1 3 339.440 -0.492 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466630 828296295 /nfs/dbraw/zinc/29/62/95/828296295.db2.gz VQZDRXGRMHHORN-UKRRQHHQSA-N 1 3 340.468 -0.425 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(F)(F)F ZINC001127474030 828296976 /nfs/dbraw/zinc/29/69/76/828296976.db2.gz GIEJHBXHJCRPNV-LLVKDONJSA-N 1 3 336.358 -0.288 20 0 EBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571262 828304341 /nfs/dbraw/zinc/30/43/41/828304341.db2.gz PDXYVBGSYVNPQP-ZBFHGGJFSA-N 1 3 340.468 -0.473 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130708851 828919435 /nfs/dbraw/zinc/91/94/35/828919435.db2.gz KLDQUXDSUNKFNQ-NEPJUHHUSA-N 1 3 327.429 -0.604 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130708851 828919442 /nfs/dbraw/zinc/91/94/42/828919442.db2.gz KLDQUXDSUNKFNQ-NEPJUHHUSA-N 1 3 327.429 -0.604 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551412 833333329 /nfs/dbraw/zinc/33/33/29/833333329.db2.gz NVPNZWWILFOIQJ-OCCSQVGLSA-N 1 3 337.424 -0.754 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001185264134 833353014 /nfs/dbraw/zinc/35/30/14/833353014.db2.gz ARDYFWQGIUKJCB-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401182 833357962 /nfs/dbraw/zinc/35/79/62/833357962.db2.gz LZNLLZKHICWWGI-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185669827 833366367 /nfs/dbraw/zinc/36/63/67/833366367.db2.gz YLCVAOYCZKPYFG-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185669827 833366369 /nfs/dbraw/zinc/36/63/69/833366369.db2.gz YLCVAOYCZKPYFG-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185706328 833367600 /nfs/dbraw/zinc/36/76/00/833367600.db2.gz MVVMYEGQVOFNBO-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519710 829153052 /nfs/dbraw/zinc/15/30/52/829153052.db2.gz JOCBISTZHVFCII-GULBITTBSA-N 1 3 333.436 -0.202 20 0 EBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519710 829153059 /nfs/dbraw/zinc/15/30/59/829153059.db2.gz JOCBISTZHVFCII-GULBITTBSA-N 1 3 333.436 -0.202 20 0 EBADHO CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O ZINC001131522233 829153920 /nfs/dbraw/zinc/15/39/20/829153920.db2.gz YKCPUNQKFWXOHL-CWVKQELPSA-N 1 3 338.452 -0.401 20 0 EBADHO C[C@@H](COCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001185742864 833369125 /nfs/dbraw/zinc/36/91/25/833369125.db2.gz PDNBAKLRQUVFHE-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185742066 833369164 /nfs/dbraw/zinc/36/91/64/833369164.db2.gz FFGPSDUAKRYKDF-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185750700 833369407 /nfs/dbraw/zinc/36/94/07/833369407.db2.gz MBWYSKHWRGIEIK-STQMWFEESA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CCN(CCO)C2)O1 ZINC001131694098 829187985 /nfs/dbraw/zinc/18/79/85/829187985.db2.gz UHCIRBJYCKYTJL-HOCLYGCPSA-N 1 3 329.441 -0.751 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790824 829218204 /nfs/dbraw/zinc/21/82/04/829218204.db2.gz WMXAHCZQEDIVEL-ZDUSSCGKSA-N 1 3 332.470 -0.884 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799320 829223347 /nfs/dbraw/zinc/22/33/47/829223347.db2.gz MYURKPPXJNSAOJ-UHFFFAOYSA-N 1 3 349.435 -0.434 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)N(C)C ZINC001186502745 833403898 /nfs/dbraw/zinc/40/38/98/833403898.db2.gz BUSSJKTUPYKPGV-KBPBESRZSA-N 1 3 340.468 -0.343 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286649 829407175 /nfs/dbraw/zinc/40/71/75/829407175.db2.gz KXLIBBYXBLXKRX-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2)C(N)=O ZINC001186514356 833404327 /nfs/dbraw/zinc/40/43/27/833404327.db2.gz ZBLXVDBWVSBOGZ-QWHCGFSZSA-N 1 3 349.435 -0.329 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001132739242 829512959 /nfs/dbraw/zinc/51/29/59/829512959.db2.gz NZFMAMUVWNVJGP-ZDUSSCGKSA-N 1 3 334.486 -0.637 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001132739242 829512962 /nfs/dbraw/zinc/51/29/62/829512962.db2.gz NZFMAMUVWNVJGP-ZDUSSCGKSA-N 1 3 334.486 -0.637 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001132892852 829545901 /nfs/dbraw/zinc/54/59/01/829545901.db2.gz CQSPPSBQUGFVSR-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001132892852 829545903 /nfs/dbraw/zinc/54/59/03/829545903.db2.gz CQSPPSBQUGFVSR-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC1 ZINC001132994856 829568755 /nfs/dbraw/zinc/56/87/55/829568755.db2.gz DXVDJWHNJVZKJR-ZDUSSCGKSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001132995538 829568991 /nfs/dbraw/zinc/56/89/91/829568991.db2.gz XABLSFIZVGLALY-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133135828 829590923 /nfs/dbraw/zinc/59/09/23/829590923.db2.gz XSODDOLMAIYXMS-WDEREUQCSA-N 1 3 336.396 -0.779 20 0 EBADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001133286150 829615904 /nfs/dbraw/zinc/61/59/04/829615904.db2.gz ZOPIAFIOMVYJPD-UKRRQHHQSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001133434363 829630956 /nfs/dbraw/zinc/63/09/56/829630956.db2.gz NZXQBQNEEUMOSD-DZGCQCFKSA-N 1 3 328.457 -0.474 20 0 EBADHO CC[C@H](C(=O)NCCNCC(=O)NCCCOC)[NH+](CC)CC ZINC001133684308 829660755 /nfs/dbraw/zinc/66/07/55/829660755.db2.gz GPFJCOCQWBQZKC-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CC[C@@H](C(=O)NCCNCC(=O)NC[C@@H]1CCOC1)[NH+](CC)CC ZINC001133689688 829662379 /nfs/dbraw/zinc/66/23/79/829662379.db2.gz BGXDQJLRRXWAKM-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001133823882 829679177 /nfs/dbraw/zinc/67/91/77/829679177.db2.gz ROCXTBNKFCTBLX-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001133823882 829679179 /nfs/dbraw/zinc/67/91/79/829679179.db2.gz ROCXTBNKFCTBLX-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001133823584 829679201 /nfs/dbraw/zinc/67/92/01/829679201.db2.gz JWBGOAIKTZKOPJ-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001133823584 829679207 /nfs/dbraw/zinc/67/92/07/829679207.db2.gz JWBGOAIKTZKOPJ-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819999 829679617 /nfs/dbraw/zinc/67/96/17/829679617.db2.gz UXWRZZIVMHZVRC-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001133823982 829680938 /nfs/dbraw/zinc/68/09/38/829680938.db2.gz UYYYSOVWUBBRKD-KGLIPLIRSA-N 1 3 346.497 -0.542 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001133823984 829681148 /nfs/dbraw/zinc/68/11/48/829681148.db2.gz UYYYSOVWUBBRKD-ZIAGYGMSSA-N 1 3 346.497 -0.542 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCO[C@H](C)C2)C1 ZINC001133845718 829685314 /nfs/dbraw/zinc/68/53/14/829685314.db2.gz MGYVIPXZMFJHBP-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCO[C@H](C)C2)C1 ZINC001133845718 829685318 /nfs/dbraw/zinc/68/53/18/829685318.db2.gz MGYVIPXZMFJHBP-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001133845460 829685770 /nfs/dbraw/zinc/68/57/70/829685770.db2.gz GLUYBBIEVUIPSA-CYBMUJFWSA-N 1 3 331.482 -0.141 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867204 829689902 /nfs/dbraw/zinc/68/99/02/829689902.db2.gz RODZIQMVVXQAAW-HUUCEWRRSA-N 1 3 342.484 -0.179 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133867204 829689905 /nfs/dbraw/zinc/68/99/05/829689905.db2.gz RODZIQMVVXQAAW-HUUCEWRRSA-N 1 3 342.484 -0.179 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133873190 829692413 /nfs/dbraw/zinc/69/24/13/829692413.db2.gz QEMWBOPXVGBCIK-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893689 829694958 /nfs/dbraw/zinc/69/49/58/829694958.db2.gz MDPDDWWKECGQJQ-UHFFFAOYSA-N 1 3 349.435 -0.434 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021009 829713410 /nfs/dbraw/zinc/71/34/10/829713410.db2.gz NVWBNFFQUAVVFK-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CN(C)C1CCC1 ZINC001134606945 829801699 /nfs/dbraw/zinc/80/16/99/829801699.db2.gz BPCZJNLJXTVUKE-CHWSQXEVSA-N 1 3 348.513 -0.107 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001134766815 829840738 /nfs/dbraw/zinc/84/07/38/829840738.db2.gz MVFZKVNXDPERHA-AWEZNQCLSA-N 1 3 325.457 -0.020 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134766707 829840759 /nfs/dbraw/zinc/84/07/59/829840759.db2.gz LKBOLEIGAUHRLW-HZPDHXFCSA-N 1 3 345.484 -0.021 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135115001 829900235 /nfs/dbraw/zinc/90/02/35/829900235.db2.gz SUMPSLMEDFMLKP-UHFFFAOYSA-N 1 3 338.456 -0.368 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474577 829973437 /nfs/dbraw/zinc/97/34/37/829973437.db2.gz UNVHFPYPBBGULX-STQMWFEESA-N 1 3 343.472 -0.097 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001135513771 829979717 /nfs/dbraw/zinc/97/97/17/829979717.db2.gz YDTBRIKLSJXPLH-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001135513665 829980210 /nfs/dbraw/zinc/98/02/10/829980210.db2.gz UEXBBDNOIBXMEK-CYBMUJFWSA-N 1 3 343.472 -0.096 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706236 830012795 /nfs/dbraw/zinc/01/27/95/830012795.db2.gz QOTYERZWAKKGMN-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001135963433 830053284 /nfs/dbraw/zinc/05/32/84/830053284.db2.gz LKYYISYJYWXBRY-LBPRGKRZSA-N 1 3 326.441 -0.530 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269741 837419793 /nfs/dbraw/zinc/41/97/93/837419793.db2.gz VCSRRVXMTAGMHS-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001211285017 837421597 /nfs/dbraw/zinc/42/15/97/837421597.db2.gz PBNKLTWSVXNFKY-CYBMUJFWSA-N 1 3 339.440 -0.541 20 0 EBADHO CN(CC(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1)C(N)=[NH2+] ZINC001144142948 830160894 /nfs/dbraw/zinc/16/08/94/830160894.db2.gz QQMAIECIVGOQFN-UHFFFAOYSA-N 1 3 346.435 -0.552 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146392372 830195576 /nfs/dbraw/zinc/19/55/76/830195576.db2.gz RTEFFDADKHMGFS-GFCCVEGCSA-N 1 3 341.456 -0.343 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCCCOC(C)C ZINC001146711764 830222473 /nfs/dbraw/zinc/22/24/73/830222473.db2.gz WPPUNRNABDRZAW-UHFFFAOYSA-N 1 3 330.473 -0.035 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCCCOC(C)C ZINC001146711764 830222480 /nfs/dbraw/zinc/22/24/80/830222480.db2.gz WPPUNRNABDRZAW-UHFFFAOYSA-N 1 3 330.473 -0.035 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CCCC1 ZINC001146718852 830222791 /nfs/dbraw/zinc/22/27/91/830222791.db2.gz ICIRZJMPTCWNEZ-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CCCC1 ZINC001146718852 830222795 /nfs/dbraw/zinc/22/27/95/830222795.db2.gz ICIRZJMPTCWNEZ-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001146719967 830223388 /nfs/dbraw/zinc/22/33/88/830223388.db2.gz YQFMOPJCFCNSMZ-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001146719967 830223393 /nfs/dbraw/zinc/22/33/93/830223393.db2.gz YQFMOPJCFCNSMZ-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001147891499 830426494 /nfs/dbraw/zinc/42/64/94/830426494.db2.gz AGLHHUBMUUPOKO-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CC1CCC(NC(=O)CNCCNC(=O)COCC[NH+](C)C)CC1 ZINC001147893829 830426979 /nfs/dbraw/zinc/42/69/79/830426979.db2.gz UVRJSFLURTZLFT-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893968 830427092 /nfs/dbraw/zinc/42/70/92/830427092.db2.gz WFBSOUICKPCIIE-CQSZACIVSA-N 1 3 330.473 -0.179 20 0 EBADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NCC(F)(F)F ZINC001147891548 830427115 /nfs/dbraw/zinc/42/71/15/830427115.db2.gz CGWBSCJSDYPJEX-JTQLQIEISA-N 1 3 342.362 -0.663 20 0 EBADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)N1CCC(C)CC1 ZINC001147891531 830427433 /nfs/dbraw/zinc/42/74/33/830427433.db2.gz BNGXODUQKPXMDA-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900195 830428553 /nfs/dbraw/zinc/42/85/53/830428553.db2.gz JNASFKIDUSTFND-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900195 830428554 /nfs/dbraw/zinc/42/85/54/830428554.db2.gz JNASFKIDUSTFND-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001148571154 830510301 /nfs/dbraw/zinc/51/03/01/830510301.db2.gz YDHVFVTUAZPQGA-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001148571154 830510310 /nfs/dbraw/zinc/51/03/10/830510310.db2.gz YDHVFVTUAZPQGA-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001148570591 830510572 /nfs/dbraw/zinc/51/05/72/830510572.db2.gz HUMAZBQSVPJQEK-UHFFFAOYSA-N 1 3 334.486 -0.540 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001148570591 830510579 /nfs/dbraw/zinc/51/05/79/830510579.db2.gz HUMAZBQSVPJQEK-UHFFFAOYSA-N 1 3 334.486 -0.540 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855235 830766103 /nfs/dbraw/zinc/76/61/03/830766103.db2.gz WSIKYHSUOAERFS-JKSUJKDBSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855235 830766109 /nfs/dbraw/zinc/76/61/09/830766109.db2.gz WSIKYHSUOAERFS-JKSUJKDBSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589890 830940007 /nfs/dbraw/zinc/94/00/07/830940007.db2.gz XEEPYFFVCRFAHM-HUUCEWRRSA-N 1 3 341.452 -0.703 20 0 EBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606021 830942809 /nfs/dbraw/zinc/94/28/09/830942809.db2.gz ASCGWDROUPUUFQ-CVEARBPZSA-N 1 3 345.484 -0.067 20 0 EBADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001151361691 831060843 /nfs/dbraw/zinc/06/08/43/831060843.db2.gz NTTFDQXQZIJFPB-LBPRGKRZSA-N 1 3 327.429 -0.458 20 0 EBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152147979 831133898 /nfs/dbraw/zinc/13/38/98/831133898.db2.gz NRJGMXJZQYQVAE-BETUJISGSA-N 1 3 339.440 -0.493 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152138739 831134041 /nfs/dbraw/zinc/13/40/41/831134041.db2.gz YFHBQJPPLRALOJ-OKILXGFUSA-N 1 3 328.457 -0.282 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152138739 831134043 /nfs/dbraw/zinc/13/40/43/831134043.db2.gz YFHBQJPPLRALOJ-OKILXGFUSA-N 1 3 328.457 -0.282 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152138741 831134265 /nfs/dbraw/zinc/13/42/65/831134265.db2.gz YFHBQJPPLRALOJ-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001152145821 831134406 /nfs/dbraw/zinc/13/44/06/831134406.db2.gz DZECDCDUCLCCKC-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001152149153 831135269 /nfs/dbraw/zinc/13/52/69/831135269.db2.gz VMZATAGKOWZWAD-VXGBXAGGSA-N 1 3 339.440 -0.447 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CCC[NH+]2CCCC2)CCO1 ZINC001152237609 831144464 /nfs/dbraw/zinc/14/44/64/831144464.db2.gz RJDNYEICFXLWGB-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340338 831154442 /nfs/dbraw/zinc/15/44/42/831154442.db2.gz MFUDVPAWSHVWMT-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001152451942 831164365 /nfs/dbraw/zinc/16/43/65/831164365.db2.gz NDBWIMUJUYTZNP-CQSZACIVSA-N 1 3 348.513 -0.104 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446088 831164479 /nfs/dbraw/zinc/16/44/79/831164479.db2.gz TUSGWNKLJAMHAJ-GFCCVEGCSA-N 1 3 329.445 -0.345 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001152459061 831165142 /nfs/dbraw/zinc/16/51/42/831165142.db2.gz XWWMSPODBZMZEP-HNNXBMFYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152457704 831165414 /nfs/dbraw/zinc/16/54/14/831165414.db2.gz HINYCGFUGSYMGS-GFCCVEGCSA-N 1 3 325.413 -0.882 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001155822083 831433418 /nfs/dbraw/zinc/43/34/18/831433418.db2.gz HZXOCGPSONMPJI-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001157323651 831553697 /nfs/dbraw/zinc/55/36/97/831553697.db2.gz MSSOPMUTLYQKFV-AVGNSLFASA-N 1 3 343.472 -0.776 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(c2nccnc2Cl)CC1 ZINC001157873845 831600970 /nfs/dbraw/zinc/60/09/70/831600970.db2.gz KIFSAXODAMCBQF-NSHDSACASA-N 1 3 336.827 -0.412 20 0 EBADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091380 831626240 /nfs/dbraw/zinc/62/62/40/831626240.db2.gz BXVDMMAOMGCMTF-YJBOKZPZSA-N 1 3 346.431 -0.389 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)C(C)(C)N1CCCCC1)C(=O)NC(N)=O ZINC001158080143 831626334 /nfs/dbraw/zinc/62/63/34/831626334.db2.gz ZCBYYPZOXXIGFB-GFCCVEGCSA-N 1 3 341.456 -0.070 20 0 EBADHO O=C(c1cc2c(s1)CNCC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120078 831629851 /nfs/dbraw/zinc/62/98/51/831629851.db2.gz KYENYTFUEVUXTA-QGZVFWFLSA-N 1 3 346.456 -0.055 20 0 EBADHO CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001158191639 831637879 /nfs/dbraw/zinc/63/78/79/831637879.db2.gz UZVPZWWUKWANKW-CYBMUJFWSA-N 1 3 347.419 -0.399 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158414820 831652620 /nfs/dbraw/zinc/65/26/20/831652620.db2.gz IITSDXDCSZXTBB-SGMGOOAPSA-N 1 3 332.408 -0.723 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001158428626 831654980 /nfs/dbraw/zinc/65/49/80/831654980.db2.gz LRKFZNLHHSUQKG-GHMZBOCLSA-N 1 3 340.453 -0.087 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)Nc2nncs2)CC[N@H+]1C ZINC001158428626 831654984 /nfs/dbraw/zinc/65/49/84/831654984.db2.gz LRKFZNLHHSUQKG-GHMZBOCLSA-N 1 3 340.453 -0.087 20 0 EBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001158791663 831686282 /nfs/dbraw/zinc/68/62/82/831686282.db2.gz ZGWRBBBDHNBDMO-NEPJUHHUSA-N 1 3 334.424 -0.821 20 0 EBADHO CCOC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2cnn(C)c21 ZINC001159393691 831749006 /nfs/dbraw/zinc/74/90/06/831749006.db2.gz IJRGYJSMOVPHFX-KBPBESRZSA-N 1 3 333.436 -0.309 20 0 EBADHO C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159607989 831765967 /nfs/dbraw/zinc/76/59/67/831765967.db2.gz DTLWZYHMYOMVIU-WCQYABFASA-N 1 3 348.451 -0.015 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159641879 831768436 /nfs/dbraw/zinc/76/84/36/831768436.db2.gz CQHCPJZRLAWJEF-CQSZACIVSA-N 1 3 331.424 -0.421 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159800764 831784248 /nfs/dbraw/zinc/78/42/48/831784248.db2.gz YBURZUUCELGJCR-KGLIPLIRSA-N 1 3 331.424 -0.196 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CCC1 ZINC001159853482 831788727 /nfs/dbraw/zinc/78/87/27/831788727.db2.gz FRZDDFQLNHBXHL-AWEZNQCLSA-N 1 3 340.468 -0.450 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874608 831791421 /nfs/dbraw/zinc/79/14/21/831791421.db2.gz UIVHVMCHDZSCNU-PBHICJAKSA-N 1 3 348.451 -0.259 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932428 831799085 /nfs/dbraw/zinc/79/90/85/831799085.db2.gz QXQSEZQBTRBHMC-GJZGRUSLSA-N 1 3 331.457 -0.554 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)CCO1 ZINC001159931818 831799608 /nfs/dbraw/zinc/79/96/08/831799608.db2.gz JIBWKSBNRWWAMG-XJKSGUPXSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931599 831799694 /nfs/dbraw/zinc/79/96/94/831799694.db2.gz GJLNLBRJNZBUEC-OAHLLOKOSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)CCCC[NH3+])CCO2 ZINC001160180249 831822719 /nfs/dbraw/zinc/82/27/19/831822719.db2.gz RTZHEFRQDUGFFO-GOEBONIOSA-N 1 3 326.441 -0.317 20 0 EBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CCC2 ZINC001160323882 831837629 /nfs/dbraw/zinc/83/76/29/831837629.db2.gz OGLYKAPKACIAGV-ZDUSSCGKSA-N 1 3 346.435 -0.940 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001160426605 831847781 /nfs/dbraw/zinc/84/77/81/831847781.db2.gz IGPIQQCGSNVJAD-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO [NH3+]C[C@@]1(Nc2ncccc2C(=O)N2CCNCC2)CN2CCC1CC2 ZINC001160513227 831860249 /nfs/dbraw/zinc/86/02/49/831860249.db2.gz LQENDQOFDVSXMH-GOSISDBHSA-N 1 3 344.463 -0.038 20 0 EBADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)CN1CCCC[C@H](N)C1=O ZINC001160539439 831860652 /nfs/dbraw/zinc/86/06/52/831860652.db2.gz SUUAAGIHTSFEHK-RYUDHWBXSA-N 1 3 332.408 -0.233 20 0 EBADHO O=C(N1CCN(C2CCOCC2)C(=O)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160635204 831871792 /nfs/dbraw/zinc/87/17/92/831871792.db2.gz HMFRPAPQZMNFBL-CXAGYDPISA-N 1 3 336.436 -0.965 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H]1C2 ZINC001160794399 831887513 /nfs/dbraw/zinc/88/75/13/831887513.db2.gz NXDHWFYYZYOGTD-DUYQIWHPSA-N 1 3 335.326 -0.267 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)[C@H](N)CCC(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001160812076 831890241 /nfs/dbraw/zinc/89/02/41/831890241.db2.gz ZPZDPCZMYIFNDB-XHBSWPGZSA-N 1 3 341.408 -0.732 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160839552 831893412 /nfs/dbraw/zinc/89/34/12/831893412.db2.gz QJPFJCDZNOZBEP-CQSZACIVSA-N 1 3 347.467 -0.208 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001160889321 831903751 /nfs/dbraw/zinc/90/37/51/831903751.db2.gz IFFUHIYUJLHWBV-DGCLKSJQSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@@H](O)[C@H](N)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196780 831936175 /nfs/dbraw/zinc/93/61/75/831936175.db2.gz RIZQPIPIMYJXIK-ZBFHGGJFSA-N 1 3 342.484 -0.755 20 0 EBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)CSCC[NH3+])C2)nc1 ZINC001161298176 831945100 /nfs/dbraw/zinc/94/51/00/831945100.db2.gz HWIZZFIBYJMBSP-JQWIXIFHSA-N 1 3 341.437 -0.516 20 0 EBADHO Cc1cc(O[C@@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)ncn1 ZINC001161310065 831947270 /nfs/dbraw/zinc/94/72/70/831947270.db2.gz XLEYQNILSRPHRR-ZIAGYGMSSA-N 1 3 331.420 -0.036 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380831 831951360 /nfs/dbraw/zinc/95/13/60/831951360.db2.gz VVBNSWTYEQODSU-NOLJZWGESA-N 1 3 339.484 -0.500 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1CCOCC1)CC2 ZINC001161476565 831962558 /nfs/dbraw/zinc/96/25/58/831962558.db2.gz DNQHOCFQQXHASV-HEHGZKQESA-N 1 3 325.409 -0.506 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1CCC(O)CC1)CC2 ZINC001161481960 831964589 /nfs/dbraw/zinc/96/45/89/831964589.db2.gz UPXGAVNBKDYVCR-WTAAUETQSA-N 1 3 339.436 -0.382 20 0 EBADHO CCOC(=O)c1c(CN)ncn1-c1nccnc1N1CC[NH2+]CC1 ZINC001162531632 832050995 /nfs/dbraw/zinc/05/09/95/832050995.db2.gz WJSCMUCFMKKDPQ-UHFFFAOYSA-N 1 3 331.380 -0.293 20 0 EBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872375 832068726 /nfs/dbraw/zinc/06/87/26/832068726.db2.gz PYEWEFSLMVVTGB-UUCFBXCCSA-N 1 3 338.452 -0.530 20 0 EBADHO C[C@H]1CN(c2ccc(NCc3nnn4c3CNCCC4)nn2)CC[NH2+]1 ZINC001162972941 832073437 /nfs/dbraw/zinc/07/34/37/832073437.db2.gz MITYHOBIZTWUMG-LBPRGKRZSA-N 1 3 343.439 -0.028 20 0 EBADHO CN1CCN(C2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC001350217164 832133091 /nfs/dbraw/zinc/13/30/91/832133091.db2.gz BTDHRSHIGDWSNJ-UHFFFAOYSA-N 1 3 327.473 -0.227 20 0 EBADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001350340973 832156551 /nfs/dbraw/zinc/15/65/51/832156551.db2.gz GAUGWJRQUNBTML-HIFRSBDPSA-N 1 3 338.452 -0.528 20 0 EBADHO Cc1cnc(N2CCC(C[NH3+])CC2)nc1N(C)S(=O)(=O)CCN ZINC001164287744 832180876 /nfs/dbraw/zinc/18/08/76/832180876.db2.gz VJWSRAAKIKTIJY-UHFFFAOYSA-N 1 3 342.469 -0.315 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001165485579 832223577 /nfs/dbraw/zinc/22/35/77/832223577.db2.gz ZKAVUUGWFWFIBB-CYBMUJFWSA-N 1 3 339.440 -0.602 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001165617965 832229600 /nfs/dbraw/zinc/22/96/00/832229600.db2.gz SQRQCZUAGCBAPK-ZDUSSCGKSA-N 1 3 341.456 -0.356 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C ZINC001166004275 832245859 /nfs/dbraw/zinc/24/58/59/832245859.db2.gz IKCOKSBPKXYRRX-GOEBONIOSA-N 1 3 342.484 -0.036 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C ZINC001166010171 832246281 /nfs/dbraw/zinc/24/62/81/832246281.db2.gz JNHJYZCCIFIJNE-GOEBONIOSA-N 1 3 342.484 -0.084 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626373 832275370 /nfs/dbraw/zinc/27/53/70/832275370.db2.gz FAGZPBFOBPHUBV-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668195 832277248 /nfs/dbraw/zinc/27/72/48/832277248.db2.gz UVFSEWGBXVURQG-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668196 832278001 /nfs/dbraw/zinc/27/80/01/832278001.db2.gz UVFSEWGBXVURQG-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001166676905 832279106 /nfs/dbraw/zinc/27/91/06/832279106.db2.gz DTRSIHFSWLMJSG-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678145 832280130 /nfs/dbraw/zinc/28/01/30/832280130.db2.gz TZXWGOUIBXJUHA-NEPJUHHUSA-N 1 3 327.429 -0.732 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1)CC(C)(C)C ZINC001166744209 832286964 /nfs/dbraw/zinc/28/69/64/832286964.db2.gz MAPLYXWGGFUPCO-UHFFFAOYSA-N 1 3 342.484 -0.081 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167225435 832318283 /nfs/dbraw/zinc/31/82/83/832318283.db2.gz VLSXXKCMQYZMQM-LBPRGKRZSA-N 1 3 339.440 -0.458 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001168762509 832434564 /nfs/dbraw/zinc/43/45/64/832434564.db2.gz DPYJVJZNFSMTTO-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC001354042482 832458758 /nfs/dbraw/zinc/45/87/58/832458758.db2.gz QPYCSTFPEHBDBT-UHFFFAOYSA-N 1 3 340.428 -0.681 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246523 832553658 /nfs/dbraw/zinc/55/36/58/832553658.db2.gz FNXAEXOPYAYOFQ-BXUZGUMPSA-N 1 3 341.456 -0.214 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001171770690 832575640 /nfs/dbraw/zinc/57/56/40/832575640.db2.gz XSYNLSBFPVQVRF-HOTGVXAUSA-N 1 3 345.484 -0.019 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001171770655 832575853 /nfs/dbraw/zinc/57/58/53/832575853.db2.gz WOFIHAXTAGLITK-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001171770691 832575892 /nfs/dbraw/zinc/57/58/92/832575892.db2.gz XSYNLSBFPVQVRF-HZPDHXFCSA-N 1 3 345.484 -0.019 20 0 EBADHO C[C@@H]1O[C@@H](OCCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172109301 832579479 /nfs/dbraw/zinc/57/94/79/832579479.db2.gz CFHYXOQPLZOIBI-OCTPOKOXSA-N 1 3 344.452 -0.565 20 0 EBADHO C[C@@H]1O[C@@H](OCCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172109301 832579482 /nfs/dbraw/zinc/57/94/82/832579482.db2.gz CFHYXOQPLZOIBI-OCTPOKOXSA-N 1 3 344.452 -0.565 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972304 832722414 /nfs/dbraw/zinc/72/24/14/832722414.db2.gz VSMHDONXIMSGHZ-UHFFFAOYSA-N 1 3 336.502 -0.248 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176992767 832727903 /nfs/dbraw/zinc/72/79/03/832727903.db2.gz ZRDOPJLBAUQSKZ-NWDGAFQWSA-N 1 3 327.429 -0.460 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001178902605 832928535 /nfs/dbraw/zinc/92/85/35/832928535.db2.gz YQQNSXXJMJIRNO-JQWIXIFHSA-N 1 3 325.413 -0.755 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C)N(C)C ZINC001178990227 832937744 /nfs/dbraw/zinc/93/77/44/832937744.db2.gz NWRPLEMVHSDCFW-SDDRHHMPSA-N 1 3 327.429 -0.639 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)N(C)C ZINC001179554054 832988354 /nfs/dbraw/zinc/98/83/54/832988354.db2.gz NHZFKVAOZISFCN-AVGNSLFASA-N 1 3 334.486 -0.545 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187106918 833901736 /nfs/dbraw/zinc/90/17/36/833901736.db2.gz QRWISKKDULXISE-UONOGXRCSA-N 1 3 346.497 -0.590 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001187106918 833901743 /nfs/dbraw/zinc/90/17/43/833901743.db2.gz QRWISKKDULXISE-UONOGXRCSA-N 1 3 346.497 -0.590 20 0 EBADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115533 833902769 /nfs/dbraw/zinc/90/27/69/833902769.db2.gz KYSKTWSUBBMMIO-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001187284291 833915344 /nfs/dbraw/zinc/91/53/44/833915344.db2.gz NVNDDUQAOHOQOV-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001187298702 833917067 /nfs/dbraw/zinc/91/70/67/833917067.db2.gz LGUOTXKMTNVJLZ-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001187298702 833917073 /nfs/dbraw/zinc/91/70/73/833917073.db2.gz LGUOTXKMTNVJLZ-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001187322642 833919771 /nfs/dbraw/zinc/91/97/71/833919771.db2.gz PTSFCYIZZZKNIT-GFCCVEGCSA-N 1 3 325.413 -0.930 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC3CC3)C2)C1 ZINC001187825228 833971426 /nfs/dbraw/zinc/97/14/26/833971426.db2.gz GUBRBPJCBDRNDU-DGCLKSJQSA-N 1 3 337.424 -0.883 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC3CC3)C2)C1 ZINC001187825228 833971429 /nfs/dbraw/zinc/97/14/29/833971429.db2.gz GUBRBPJCBDRNDU-DGCLKSJQSA-N 1 3 337.424 -0.883 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001188083584 833999647 /nfs/dbraw/zinc/99/96/47/833999647.db2.gz CNCYGSGCCUPADG-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO COCCOC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001192253105 834631614 /nfs/dbraw/zinc/63/16/14/834631614.db2.gz PMUBEUOBPXQECI-BRWVUGGUSA-N 1 3 329.485 -0.032 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195859115 835300534 /nfs/dbraw/zinc/30/05/34/835300534.db2.gz FKBPLBWBEMCJNR-MGPQQGTHSA-N 1 3 326.441 -0.984 20 0 EBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198899388 835738991 /nfs/dbraw/zinc/73/89/91/835738991.db2.gz LDBBPPYZUXBYBM-UHFFFAOYSA-N 1 3 336.396 -0.331 20 0 EBADHO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788096 835861357 /nfs/dbraw/zinc/86/13/57/835861357.db2.gz LKJIMBKVVKPSHU-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529512 835980690 /nfs/dbraw/zinc/98/06/90/835980690.db2.gz WGCLBJXKNNUICD-GJZGRUSLSA-N 1 3 338.452 -0.719 20 0 EBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200705227 836019707 /nfs/dbraw/zinc/01/97/07/836019707.db2.gz VSPAISILRRELIK-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200865471 836051401 /nfs/dbraw/zinc/05/14/01/836051401.db2.gz JCLNMFOBNMFCTQ-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200865471 836051414 /nfs/dbraw/zinc/05/14/14/836051414.db2.gz JCLNMFOBNMFCTQ-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(=O)NC(N)=O ZINC001201043591 836084896 /nfs/dbraw/zinc/08/48/96/836084896.db2.gz DUGHEENXRBNBMX-NSHDSACASA-N 1 3 339.440 -0.365 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001201333718 836129680 /nfs/dbraw/zinc/12/96/80/836129680.db2.gz BUEVCCPWSVCCQN-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCO[C@@H](CNCC(=O)N(C)C)C1)[NH+](C)C ZINC001201343787 836131960 /nfs/dbraw/zinc/13/19/60/836131960.db2.gz LQGVHUIHDXSQJU-GOEBONIOSA-N 1 3 342.484 -0.132 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201678511 836174782 /nfs/dbraw/zinc/17/47/82/836174782.db2.gz KWFRNVYRBQEKDL-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201678513 836174787 /nfs/dbraw/zinc/17/47/87/836174787.db2.gz KWFRNVYRBQEKDL-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201678512 836174922 /nfs/dbraw/zinc/17/49/22/836174922.db2.gz KWFRNVYRBQEKDL-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201679071 836174930 /nfs/dbraw/zinc/17/49/30/836174930.db2.gz RXANOVOVXQBUJJ-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCCS(C)(=O)=O)C1 ZINC001201800148 836193827 /nfs/dbraw/zinc/19/38/27/836193827.db2.gz DWKUJMDUOWQMIC-AWEZNQCLSA-N 1 3 349.497 -0.420 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCCS(C)(=O)=O)C1 ZINC001201800148 836193831 /nfs/dbraw/zinc/19/38/31/836193831.db2.gz DWKUJMDUOWQMIC-AWEZNQCLSA-N 1 3 349.497 -0.420 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001201924442 836216416 /nfs/dbraw/zinc/21/64/16/836216416.db2.gz LTKXMVKLIDCUSB-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001201924442 836216424 /nfs/dbraw/zinc/21/64/24/836216424.db2.gz LTKXMVKLIDCUSB-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201931193 836218212 /nfs/dbraw/zinc/21/82/12/836218212.db2.gz JANWWQZQMDWPGX-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060246 836247252 /nfs/dbraw/zinc/24/72/52/836247252.db2.gz VYJBMQYUOJBKCB-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060246 836247265 /nfs/dbraw/zinc/24/72/65/836247265.db2.gz VYJBMQYUOJBKCB-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO NC(=O)CNC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202135503 836259839 /nfs/dbraw/zinc/25/98/39/836259839.db2.gz WKSILQYGENQMQG-AWEZNQCLSA-N 1 3 326.441 -0.445 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705267 836464501 /nfs/dbraw/zinc/46/45/01/836464501.db2.gz QGMJHLHYSRUVML-UHFFFAOYSA-N 1 3 325.413 -0.882 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001203925901 836488915 /nfs/dbraw/zinc/48/89/15/836488915.db2.gz YMFSMDHHJXMEFL-UHFFFAOYSA-N 1 3 334.486 -0.544 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001206401973 836645684 /nfs/dbraw/zinc/64/56/84/836645684.db2.gz IJWWKRXNNORTIE-UHFFFAOYSA-N 1 3 334.424 -0.194 20 0 EBADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001206654022 836666224 /nfs/dbraw/zinc/66/62/24/836666224.db2.gz SJMASTYFCVWJQC-AWEZNQCLSA-N 1 3 338.452 -0.038 20 0 EBADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001208339949 836999090 /nfs/dbraw/zinc/99/90/90/836999090.db2.gz HLZFXNNISHMWFV-NSHDSACASA-N 1 3 325.413 -0.754 20 0 EBADHO C[C@@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302141 837154078 /nfs/dbraw/zinc/15/40/78/837154078.db2.gz CRGIHNAHOSZLFM-NEPJUHHUSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302150 837154382 /nfs/dbraw/zinc/15/43/82/837154382.db2.gz CRGIHNAHOSZLFM-VXGBXAGGSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302148 837154577 /nfs/dbraw/zinc/15/45/77/837154577.db2.gz CRGIHNAHOSZLFM-RYUDHWBXSA-N 1 3 339.440 -0.508 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001209446740 837167869 /nfs/dbraw/zinc/16/78/69/837167869.db2.gz UPTXUSVOXFXWBE-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209659891 837187658 /nfs/dbraw/zinc/18/76/58/837187658.db2.gz JYQCWWVUXWVGDL-GFCCVEGCSA-N 1 3 339.440 -0.506 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210221327 837256115 /nfs/dbraw/zinc/25/61/15/837256115.db2.gz ZSAMIHZKLAJNOI-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001210493716 837290960 /nfs/dbraw/zinc/29/09/60/837290960.db2.gz OALKJCWOBCGLGY-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001210493716 837290967 /nfs/dbraw/zinc/29/09/67/837290967.db2.gz OALKJCWOBCGLGY-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H](N[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742219 837327637 /nfs/dbraw/zinc/32/76/37/837327637.db2.gz BTJPZCHNWIGYIT-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001210782283 837329282 /nfs/dbraw/zinc/32/92/82/837329282.db2.gz JWDXUPRNQHJXQK-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001210782283 837329287 /nfs/dbraw/zinc/32/92/87/837329287.db2.gz JWDXUPRNQHJXQK-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001210796762 837332985 /nfs/dbraw/zinc/33/29/85/837332985.db2.gz JOLCKUIQXWXSSB-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001210796762 837332991 /nfs/dbraw/zinc/33/29/91/837332991.db2.gz JOLCKUIQXWXSSB-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064846 837378140 /nfs/dbraw/zinc/37/81/40/837378140.db2.gz RCNFLANTNPLYJA-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064846 837378153 /nfs/dbraw/zinc/37/81/53/837378153.db2.gz RCNFLANTNPLYJA-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CNCCS(C)(=O)=O)CC1 ZINC001320292102 838746225 /nfs/dbraw/zinc/74/62/25/838746225.db2.gz IPEDIMLPMLEKDH-CQSZACIVSA-N 1 3 349.497 -0.782 20 0 EBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320818798 838843695 /nfs/dbraw/zinc/84/36/95/838843695.db2.gz HHWCLEZMCCUGBE-MELADBBJSA-N 1 3 338.452 -0.040 20 0 EBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320818798 838843707 /nfs/dbraw/zinc/84/37/07/838843707.db2.gz HHWCLEZMCCUGBE-MELADBBJSA-N 1 3 338.452 -0.040 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCSC1 ZINC001321510061 839007051 /nfs/dbraw/zinc/00/70/51/839007051.db2.gz UPGDUCPGRLJDSD-CZUORRHYSA-N 1 3 342.509 -0.050 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322648993 839226220 /nfs/dbraw/zinc/22/62/20/839226220.db2.gz QTXCUILXTWQKOH-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CN(CC(=O)N[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013764 839322688 /nfs/dbraw/zinc/32/26/88/839322688.db2.gz DXWSNFFUWTVRCB-KGLIPLIRSA-N 1 3 336.436 -0.240 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)CC1 ZINC001324222377 839611474 /nfs/dbraw/zinc/61/14/74/839611474.db2.gz PRRPKCVIPQGARI-AWEZNQCLSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H]([NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001325449691 839867131 /nfs/dbraw/zinc/86/71/31/839867131.db2.gz MCDYTVCMXGUMJQ-QWHCGFSZSA-N 1 3 347.419 -0.072 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001325560896 839890429 /nfs/dbraw/zinc/89/04/29/839890429.db2.gz DZLLIWSUEDIJBK-QWHCGFSZSA-N 1 3 334.424 -0.339 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001327037178 840280905 /nfs/dbraw/zinc/28/09/05/840280905.db2.gz ZMNUGYXDWLAGPH-OAHLLOKOSA-N 1 3 349.435 -0.218 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001327079516 840293842 /nfs/dbraw/zinc/29/38/42/840293842.db2.gz IDRRUYFPHVWAOC-CQSZACIVSA-N 1 3 341.456 -0.831 20 0 EBADHO O=C(NCC1CC[NH2+]CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327485608 840433134 /nfs/dbraw/zinc/43/31/34/840433134.db2.gz MNSPQKMZLDDWCW-OAHLLOKOSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(NCCC[NH2+]C1CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001328368259 840663912 /nfs/dbraw/zinc/66/39/12/840663912.db2.gz PAGCGSVNULJPEG-OAHLLOKOSA-N 1 3 338.452 -0.386 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC001328386746 840668839 /nfs/dbraw/zinc/66/88/39/840668839.db2.gz STEANGOCFCZKDW-KRWDZBQOSA-N 1 3 340.468 -0.688 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCCCCN2CCN(CCO)CC2)C1 ZINC001328503174 840690641 /nfs/dbraw/zinc/69/06/41/840690641.db2.gz HCGHKRKAUVCHOR-INIZCTEOSA-N 1 3 326.485 -0.166 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCCCCN2CCN(CCO)CC2)C1 ZINC001328503174 840690643 /nfs/dbraw/zinc/69/06/43/840690643.db2.gz HCGHKRKAUVCHOR-INIZCTEOSA-N 1 3 326.485 -0.166 20 0 EBADHO CN(CCN1C(=O)CNC1=O)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001328764003 840744457 /nfs/dbraw/zinc/74/44/57/840744457.db2.gz IEDRUEKUUQMDQT-CYBMUJFWSA-N 1 3 339.440 -0.587 20 0 EBADHO COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001329005604 840814607 /nfs/dbraw/zinc/81/46/07/840814607.db2.gz SSTYJDRFANAPQC-BETUJISGSA-N 1 3 342.440 -0.994 20 0 EBADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001330003665 841089526 /nfs/dbraw/zinc/08/95/26/841089526.db2.gz NMTRYOJIKVTUBB-ZDUSSCGKSA-N 1 3 347.423 -0.965 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001330083454 841111569 /nfs/dbraw/zinc/11/15/69/841111569.db2.gz GOCASGCXNAQPTC-CQSZACIVSA-N 1 3 344.375 -0.611 20 0 EBADHO CN(CCOCCNCC(=O)N1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001333248359 841834697 /nfs/dbraw/zinc/83/46/97/841834697.db2.gz CBISPEAWUPPOPA-UHFFFAOYSA-N 1 3 340.468 -0.375 20 0 EBADHO CC[NH2+]CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333542598 841902874 /nfs/dbraw/zinc/90/28/74/841902874.db2.gz LBXAASRVNDBEPW-CQSZACIVSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001342535974 843167790 /nfs/dbraw/zinc/16/77/90/843167790.db2.gz OCEOGLSYXOVOEF-BGTYHANMSA-N 1 3 347.507 -0.198 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cnn(C)c1 ZINC001344755251 843332002 /nfs/dbraw/zinc/33/20/02/843332002.db2.gz BQSNTMHTUAYDEG-UHFFFAOYSA-N 1 3 338.456 -0.969 20 0 EBADHO C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001345919807 843462158 /nfs/dbraw/zinc/46/21/58/843462158.db2.gz OPVXSJWSZBLMTP-STQMWFEESA-N 1 3 330.498 -0.052 20 0 EBADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001345983465 843468475 /nfs/dbraw/zinc/46/84/75/843468475.db2.gz WHRQEGGLFPJVOL-GBJTYRQASA-N 1 3 336.436 -0.635 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(=O)NC ZINC001481238301 1125949953 /nfs/dbraw/zinc/94/99/53/1125949953.db2.gz PIXPJOYDGMYRRP-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(=O)NC ZINC001481238301 1125949954 /nfs/dbraw/zinc/94/99/54/1125949954.db2.gz PIXPJOYDGMYRRP-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCCCN1C ZINC001481247097 1125952234 /nfs/dbraw/zinc/95/22/34/1125952234.db2.gz HQFTVCKLUCLLQK-AWEZNQCLSA-N 1 3 346.497 -0.446 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497100 1126003659 /nfs/dbraw/zinc/00/36/59/1126003659.db2.gz IDZVMQTZVFXARE-VXGBXAGGSA-N 1 3 327.429 -0.698 20 0 EBADHO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506415 1126005031 /nfs/dbraw/zinc/00/50/31/1126005031.db2.gz CRIKVDQJMBNGGM-OLZOCXBDSA-N 1 3 339.440 -0.554 20 0 EBADHO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506415 1126005032 /nfs/dbraw/zinc/00/50/32/1126005032.db2.gz CRIKVDQJMBNGGM-OLZOCXBDSA-N 1 3 339.440 -0.554 20 0 EBADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001481820830 1126059042 /nfs/dbraw/zinc/05/90/42/1126059042.db2.gz JWWPZYLCKIURRG-RYUDHWBXSA-N 1 3 327.429 -0.460 20 0 EBADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001481820830 1126059043 /nfs/dbraw/zinc/05/90/43/1126059043.db2.gz JWWPZYLCKIURRG-RYUDHWBXSA-N 1 3 327.429 -0.460 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873524 1126063673 /nfs/dbraw/zinc/06/36/73/1126063673.db2.gz AQOQHMGLZGEXRP-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873524 1126063674 /nfs/dbraw/zinc/06/36/74/1126063674.db2.gz AQOQHMGLZGEXRP-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO COCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482066671 1126075485 /nfs/dbraw/zinc/07/54/85/1126075485.db2.gz DPFATCCZIUKLEG-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482066671 1126075487 /nfs/dbraw/zinc/07/54/87/1126075487.db2.gz DPFATCCZIUKLEG-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001482268714 1126115635 /nfs/dbraw/zinc/11/56/35/1126115635.db2.gz ZXZPYNNZOCHZFP-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001482268712 1126115690 /nfs/dbraw/zinc/11/56/90/1126115690.db2.gz ZXZPYNNZOCHZFP-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001482290660 1126120537 /nfs/dbraw/zinc/12/05/37/1126120537.db2.gz ATEMCUYUTXCPOK-GFCCVEGCSA-N 1 3 339.440 -0.541 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001482296858 1126122265 /nfs/dbraw/zinc/12/22/65/1126122265.db2.gz AGYUOISEBXUSKX-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364344 1126139031 /nfs/dbraw/zinc/13/90/31/1126139031.db2.gz HNMAWXDHJBTPDN-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482364344 1126139033 /nfs/dbraw/zinc/13/90/33/1126139033.db2.gz HNMAWXDHJBTPDN-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCC1)C1CCC1 ZINC001482737298 1126271910 /nfs/dbraw/zinc/27/19/10/1126271910.db2.gz JOTIYIQQSUICHR-HNNXBMFYSA-N 1 3 340.468 -0.450 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC001482737766 1126272145 /nfs/dbraw/zinc/27/21/45/1126272145.db2.gz SXKMNWSQHDBMRB-AWEZNQCLSA-N 1 3 340.468 -0.404 20 0 EBADHO CCN(C)C(=O)CNC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482756396 1126278680 /nfs/dbraw/zinc/27/86/80/1126278680.db2.gz QZTYRDYGEZTFMQ-ZDUSSCGKSA-N 1 3 328.457 -0.594 20 0 EBADHO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001482756396 1126278681 /nfs/dbraw/zinc/27/86/81/1126278681.db2.gz QZTYRDYGEZTFMQ-ZDUSSCGKSA-N 1 3 328.457 -0.594 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762356 1126280665 /nfs/dbraw/zinc/28/06/65/1126280665.db2.gz OSNYYUOLQSEBNX-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762356 1126280666 /nfs/dbraw/zinc/28/06/66/1126280666.db2.gz OSNYYUOLQSEBNX-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO CC(C)N(C)C(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764958 1126281343 /nfs/dbraw/zinc/28/13/43/1126281343.db2.gz ZSOLYFZEOHCKDK-DZGCQCFKSA-N 1 3 342.484 -0.350 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483008894 1126312170 /nfs/dbraw/zinc/31/21/70/1126312170.db2.gz PGYPXCJWWWBNQR-LLSFEVHBSA-N 1 3 336.436 -0.216 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483008894 1126312172 /nfs/dbraw/zinc/31/21/72/1126312172.db2.gz PGYPXCJWWWBNQR-LLSFEVHBSA-N 1 3 336.436 -0.216 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001483138931 1126345369 /nfs/dbraw/zinc/34/53/69/1126345369.db2.gz RUKZKLUQOIXLFQ-UPJWGTAASA-N 1 3 343.472 -0.099 20 0 EBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001483186038 1126351535 /nfs/dbraw/zinc/35/15/35/1126351535.db2.gz JXWZGXOIOKCDGK-PWSUYJOCSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001483196458 1126353077 /nfs/dbraw/zinc/35/30/77/1126353077.db2.gz IVTLKIUWCACMPA-OLZOCXBDSA-N 1 3 341.456 -0.070 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360161 1126358274 /nfs/dbraw/zinc/35/82/74/1126358274.db2.gz JOUIIYGBEDYBGG-NWDGAFQWSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CNCC(=O)NC[C@@H]1CCOC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284116 1126413589 /nfs/dbraw/zinc/41/35/89/1126413589.db2.gz ASZHNABGTSULTP-KBPBESRZSA-N 1 3 338.452 -0.671 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)n1 ZINC001483734984 1126465458 /nfs/dbraw/zinc/46/54/58/1126465458.db2.gz JHPFVLXFCYRUGE-ZDUSSCGKSA-N 1 3 348.451 -0.425 20 0 EBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001483950735 1126492762 /nfs/dbraw/zinc/49/27/62/1126492762.db2.gz UERLYJHIECVXKQ-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001483955872 1126493243 /nfs/dbraw/zinc/49/32/43/1126493243.db2.gz UQMXUUXTYKVKFH-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484242700 1126538931 /nfs/dbraw/zinc/53/89/31/1126538931.db2.gz KZLTXTAZWHHZBC-YOEHRIQHSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339638 1126564060 /nfs/dbraw/zinc/56/40/60/1126564060.db2.gz YTWSYRLPVYYGTG-RYUDHWBXSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001484483230 1126592631 /nfs/dbraw/zinc/59/26/31/1126592631.db2.gz FRZJIDPDKOBZOE-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001484483230 1126592632 /nfs/dbraw/zinc/59/26/32/1126592632.db2.gz FRZJIDPDKOBZOE-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO CCN(C)C(=O)CNCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001484485930 1126595597 /nfs/dbraw/zinc/59/55/97/1126595597.db2.gz BQMIJBWCPLUEMY-UHFFFAOYSA-N 1 3 340.468 -0.496 20 0 EBADHO C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001484493989 1126596953 /nfs/dbraw/zinc/59/69/53/1126596953.db2.gz MWOWZFIGQXWBKI-UONOGXRCSA-N 1 3 326.441 -0.983 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NCCCS(C)(=O)=O)C1 ZINC001484848541 1126641816 /nfs/dbraw/zinc/64/18/16/1126641816.db2.gz XODDBLQWUKVDCP-OAHLLOKOSA-N 1 3 349.497 -0.684 20 0 EBADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1 ZINC001484870948 1126647592 /nfs/dbraw/zinc/64/75/92/1126647592.db2.gz NZOZBQASCGUCRA-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001484893444 1126651123 /nfs/dbraw/zinc/65/11/23/1126651123.db2.gz BPBNNGAYZYZKAO-NWDGAFQWSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955223 1126921242 /nfs/dbraw/zinc/92/12/42/1126921242.db2.gz HTASBEJYDPHNGL-RYUDHWBXSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955223 1126921246 /nfs/dbraw/zinc/92/12/46/1126921246.db2.gz HTASBEJYDPHNGL-RYUDHWBXSA-N 1 3 339.440 -0.637 20 0 EBADHO CN1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC001486009520 1126983233 /nfs/dbraw/zinc/98/32/33/1126983233.db2.gz UDUDWPONUJXVPQ-HUUCEWRRSA-N 1 3 340.468 -0.450 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001486086140 1127029514 /nfs/dbraw/zinc/02/95/14/1127029514.db2.gz UOQVOBMEJXKXAP-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC001486124229 1127042090 /nfs/dbraw/zinc/04/20/90/1127042090.db2.gz NGTWFKZCIKHAMJ-YPMHNXCESA-N 1 3 348.407 -0.527 20 0 EBADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125327 1127042219 /nfs/dbraw/zinc/04/22/19/1127042219.db2.gz CWZXHUYDKCTCDO-JSGCOSHPSA-N 1 3 336.440 -0.617 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486246290 1127066580 /nfs/dbraw/zinc/06/65/80/1127066580.db2.gz IHOYDBRZTMUKQH-GFCCVEGCSA-N 1 3 341.456 -0.260 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486246290 1127066583 /nfs/dbraw/zinc/06/65/83/1127066583.db2.gz IHOYDBRZTMUKQH-GFCCVEGCSA-N 1 3 341.456 -0.260 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486310000 1127115205 /nfs/dbraw/zinc/11/52/05/1127115205.db2.gz HWJMORJUHCEDEU-UKRRQHHQSA-N 1 3 340.468 -0.642 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001410421740 1127710436 /nfs/dbraw/zinc/71/04/36/1127710436.db2.gz HJQHHPJFUDNSTB-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001410496142 1127729093 /nfs/dbraw/zinc/72/90/93/1127729093.db2.gz CNNLMLLIFRGGRI-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001411093472 1128013384 /nfs/dbraw/zinc/01/33/84/1128013384.db2.gz ILNWMBXOURHFAK-OLZOCXBDSA-N 1 3 330.473 -0.350 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128452 1128023280 /nfs/dbraw/zinc/02/32/80/1128023280.db2.gz PSLANUZMKOIMOV-UONOGXRCSA-N 1 3 328.457 -0.642 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220105 1128094926 /nfs/dbraw/zinc/09/49/26/1128094926.db2.gz DRMWSXSQAHXQBI-QWRGUYRKSA-N 1 3 327.429 -0.747 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220105 1128094929 /nfs/dbraw/zinc/09/49/29/1128094929.db2.gz DRMWSXSQAHXQBI-QWRGUYRKSA-N 1 3 327.429 -0.747 20 0 EBADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411247562 1128104076 /nfs/dbraw/zinc/10/40/76/1128104076.db2.gz VDABFEIVHMZQPY-MCIGGMRASA-N 1 3 325.413 -0.755 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093289369 1128317655 /nfs/dbraw/zinc/31/76/55/1128317655.db2.gz YJYVVUDRAVWONV-YRGRVCCFSA-N 1 3 347.419 -0.168 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(CNC[C@H]4CCOC4)nn3)C2)C1 ZINC001093343796 1128330661 /nfs/dbraw/zinc/33/06/61/1128330661.db2.gz QWAVMDJVRUKNRH-KGLIPLIRSA-N 1 3 348.451 -0.261 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(CNC[C@H]4CCOC4)nn3)C2)C1 ZINC001093343796 1128330665 /nfs/dbraw/zinc/33/06/65/1128330665.db2.gz QWAVMDJVRUKNRH-KGLIPLIRSA-N 1 3 348.451 -0.261 20 0 EBADHO CC(C)[C@H]1N(C(=O)Cc2c[nH]cn2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093467661 1128343284 /nfs/dbraw/zinc/34/32/84/1128343284.db2.gz VDIXZPRZPFWYMH-MUIFIZLQSA-N 1 3 336.436 -0.089 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834528 1128356155 /nfs/dbraw/zinc/35/61/55/1128356155.db2.gz GAXNFCUOECWRDG-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001488368338 1128705674 /nfs/dbraw/zinc/70/56/74/1128705674.db2.gz ALWPNRKSAVVHSG-UONOGXRCSA-N 1 3 328.457 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001488368338 1128705677 /nfs/dbraw/zinc/70/56/77/1128705677.db2.gz ALWPNRKSAVVHSG-UONOGXRCSA-N 1 3 328.457 -0.786 20 0 EBADHO C[C@@H](NCC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305366 1129160405 /nfs/dbraw/zinc/16/04/05/1129160405.db2.gz GFUCACAHAOUBLK-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(=O)NC(N)=O ZINC001490355007 1129172471 /nfs/dbraw/zinc/17/24/71/1129172471.db2.gz DAUULPNLHNOPEO-GFCCVEGCSA-N 1 3 339.440 -0.506 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001412918553 1129782749 /nfs/dbraw/zinc/78/27/49/1129782749.db2.gz DLVRIOYDYNSGRN-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001491076226 1130312863 /nfs/dbraw/zinc/31/28/63/1130312863.db2.gz XMPDUWPZGPBNRV-HZSPNIEDSA-N 1 3 332.408 -0.245 20 0 EBADHO CN(C)C1(C(=O)NC2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCC1 ZINC001491352141 1130407569 /nfs/dbraw/zinc/40/75/69/1130407569.db2.gz PIOJERHHTIXQII-UHFFFAOYSA-N 1 3 339.440 -0.317 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567571 1130553126 /nfs/dbraw/zinc/55/31/26/1130553126.db2.gz FXSAIPNTAUFKHQ-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001365857143 1132835407 /nfs/dbraw/zinc/83/54/07/1132835407.db2.gz KTTFUBJOMHOJKP-XQQFMLRXSA-N 1 3 341.456 -0.343 20 0 EBADHO CC[C@H](C(=O)NC1CCC([NH2+]CC(=O)NC(=O)NC)CC1)N(C)C ZINC001366243791 1133072055 /nfs/dbraw/zinc/07/20/55/1133072055.db2.gz REBAFBUJGLBPGP-WXRRBKDZSA-N 1 3 341.456 -0.201 20 0 EBADHO COC[C@H](O)CN1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001366969889 1133394365 /nfs/dbraw/zinc/39/43/65/1133394365.db2.gz GCMRKVKHYNBGLL-OAHLLOKOSA-N 1 3 325.453 -0.082 20 0 EBADHO CC(C)[C@H](C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983351 1133402355 /nfs/dbraw/zinc/40/23/55/1133402355.db2.gz AVWVOMSTQXXTKT-JKSUJKDBSA-N 1 3 337.468 -0.122 20 0 EBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133751 1133484469 /nfs/dbraw/zinc/48/44/69/1133484469.db2.gz FSFVQAOPCGQCCH-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133751 1133484476 /nfs/dbraw/zinc/48/44/76/1133484476.db2.gz FSFVQAOPCGQCCH-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](CNCC(=O)NC1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001367375503 1133569342 /nfs/dbraw/zinc/56/93/42/1133569342.db2.gz KDKAPRJVHRTOLJ-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390344 1133574613 /nfs/dbraw/zinc/57/46/13/1133574613.db2.gz KAYUWNMHYULQTO-QWHCGFSZSA-N 1 3 338.456 -0.371 20 0 EBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)N(C)C ZINC001367496849 1133603887 /nfs/dbraw/zinc/60/38/87/1133603887.db2.gz XNBITLJXVOHISY-VXGBXAGGSA-N 1 3 329.445 -0.487 20 0 EBADHO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367585696 1133655806 /nfs/dbraw/zinc/65/58/06/1133655806.db2.gz URRCZSRUCLMIBY-AWEZNQCLSA-N 1 3 342.484 -0.204 20 0 EBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593993 1133667089 /nfs/dbraw/zinc/66/70/89/1133667089.db2.gz NARNASGBSJPKSX-OAHLLOKOSA-N 1 3 335.452 -0.137 20 0 EBADHO CC(C)(C)NC(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001367609546 1133689061 /nfs/dbraw/zinc/68/90/61/1133689061.db2.gz RBNXNLUNPKFHHF-CYBMUJFWSA-N 1 3 340.468 -0.404 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001367751807 1133771380 /nfs/dbraw/zinc/77/13/80/1133771380.db2.gz CLLDVDLLPCWXDK-NWDGAFQWSA-N 1 3 329.445 -0.345 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367771066 1133778106 /nfs/dbraw/zinc/77/81/06/1133778106.db2.gz IFUIRHKISBRAPH-QWRGUYRKSA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367771066 1133778111 /nfs/dbraw/zinc/77/81/11/1133778111.db2.gz IFUIRHKISBRAPH-QWRGUYRKSA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@@H]1CN(C(=O)CNC[C@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111293 1133943263 /nfs/dbraw/zinc/94/32/63/1133943263.db2.gz VHERMXXPORXDQP-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121744 1133947243 /nfs/dbraw/zinc/94/72/43/1133947243.db2.gz HIVJSFCEACVBRS-VXGBXAGGSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121744 1133947246 /nfs/dbraw/zinc/94/72/46/1133947246.db2.gz HIVJSFCEACVBRS-VXGBXAGGSA-N 1 3 325.413 -0.896 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144839 1133957894 /nfs/dbraw/zinc/95/78/94/1133957894.db2.gz MFBLYOPVMBYLJD-HZPDHXFCSA-N 1 3 344.475 -0.123 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001368144839 1133957898 /nfs/dbraw/zinc/95/78/98/1133957898.db2.gz MFBLYOPVMBYLJD-HZPDHXFCSA-N 1 3 344.475 -0.123 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001368232510 1134000546 /nfs/dbraw/zinc/00/05/46/1134000546.db2.gz YCFGFNXNTNROLU-AWEZNQCLSA-N 1 3 340.468 -0.153 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001368232510 1134000548 /nfs/dbraw/zinc/00/05/48/1134000548.db2.gz YCFGFNXNTNROLU-AWEZNQCLSA-N 1 3 340.468 -0.153 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCOCC2)C1 ZINC001368242432 1134012409 /nfs/dbraw/zinc/01/24/09/1134012409.db2.gz UBRLBOFTTGLUHP-ZDUSSCGKSA-N 1 3 338.452 -0.528 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCOCC2)C1 ZINC001368242432 1134012414 /nfs/dbraw/zinc/01/24/14/1134012414.db2.gz UBRLBOFTTGLUHP-ZDUSSCGKSA-N 1 3 338.452 -0.528 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521563 1134272666 /nfs/dbraw/zinc/27/26/66/1134272666.db2.gz VMFAJLGPBQMTEP-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523278 1134273569 /nfs/dbraw/zinc/27/35/69/1134273569.db2.gz XLSRKVKNAIVBGF-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001368565481 1134293425 /nfs/dbraw/zinc/29/34/25/1134293425.db2.gz BPQWSWRDDULFQI-HUUCEWRRSA-N 1 3 329.441 -0.705 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001368680405 1134378874 /nfs/dbraw/zinc/37/88/74/1134378874.db2.gz FVGXKZLYKHYVGF-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001368684302 1134383214 /nfs/dbraw/zinc/38/32/14/1134383214.db2.gz SIYNQEVTJLBFNO-UHFFFAOYSA-N 1 3 340.468 -0.450 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001368684050 1134383444 /nfs/dbraw/zinc/38/34/44/1134383444.db2.gz RZNAGEKNDDILOC-OLZOCXBDSA-N 1 3 328.457 -0.611 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CCC(O)(CNCC(N)=O)CC2)CC1 ZINC001368688289 1134388717 /nfs/dbraw/zinc/38/87/17/1134388717.db2.gz GPXJORHKQNAKNF-UHFFFAOYSA-N 1 3 326.441 -0.853 20 0 EBADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001368811454 1134452331 /nfs/dbraw/zinc/45/23/31/1134452331.db2.gz QEAJCZPDFHVKLP-HTAVTVPLSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCOCC1 ZINC001368895094 1134478206 /nfs/dbraw/zinc/47/82/06/1134478206.db2.gz PQYZONWOOJTBPL-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCOCC1 ZINC001368895094 1134478210 /nfs/dbraw/zinc/47/82/10/1134478210.db2.gz PQYZONWOOJTBPL-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001369158210 1134599564 /nfs/dbraw/zinc/59/95/64/1134599564.db2.gz VWMDSJPUNHKLQC-GXTWGEPZSA-N 1 3 326.441 -0.578 20 0 EBADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001369158248 1134599623 /nfs/dbraw/zinc/59/96/23/1134599623.db2.gz VWMDSJPUNHKLQC-TZMCWYRMSA-N 1 3 326.441 -0.578 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001369183592 1134609568 /nfs/dbraw/zinc/60/95/68/1134609568.db2.gz ZLQHGHCLEWUGJO-KKOKHZNYSA-N 1 3 327.429 -0.606 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001369376862 1134735510 /nfs/dbraw/zinc/73/55/10/1134735510.db2.gz XQEHXEWMIMADFS-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409381 1134766245 /nfs/dbraw/zinc/76/62/45/1134766245.db2.gz WSBHTHZFKGSPOK-STQMWFEESA-N 1 3 329.466 -0.294 20 0 EBADHO C[C@@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478620 1134841667 /nfs/dbraw/zinc/84/16/67/1134841667.db2.gz ALLPFCMTBIMRFL-OLZOCXBDSA-N 1 3 330.473 -0.350 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480065 1134845924 /nfs/dbraw/zinc/84/59/24/1134845924.db2.gz MTVBEUMQOPRYHJ-TZMCWYRMSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369480065 1134845943 /nfs/dbraw/zinc/84/59/43/1134845943.db2.gz MTVBEUMQOPRYHJ-TZMCWYRMSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001369484672 1134853483 /nfs/dbraw/zinc/85/34/83/1134853483.db2.gz OQPZTIIAOURINZ-ZDUSSCGKSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC001370804027 1135646526 /nfs/dbraw/zinc/64/65/26/1135646526.db2.gz HCSKRECYQOXCBW-CABCVRRESA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001371418981 1135907064 /nfs/dbraw/zinc/90/70/64/1135907064.db2.gz AAAHISXTEXVPPV-NWDGAFQWSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001371418981 1135907066 /nfs/dbraw/zinc/90/70/66/1135907066.db2.gz AAAHISXTEXVPPV-NWDGAFQWSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC[C@H]1CCCO1 ZINC001371434013 1135909550 /nfs/dbraw/zinc/90/95/50/1135909550.db2.gz XFJRBBPVBCVVRO-ZIAGYGMSSA-N 1 3 338.452 -0.528 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001371472314 1135930252 /nfs/dbraw/zinc/93/02/52/1135930252.db2.gz HLTUABHUXGQIRN-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001371537758 1135960832 /nfs/dbraw/zinc/96/08/32/1135960832.db2.gz AEXKXKJKVBJVFN-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001371537758 1135960836 /nfs/dbraw/zinc/96/08/36/1135960836.db2.gz AEXKXKJKVBJVFN-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001371581823 1135975285 /nfs/dbraw/zinc/97/52/85/1135975285.db2.gz MFEHBTOTPPPSOF-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)COC1CCOCC1 ZINC001372223698 1136145308 /nfs/dbraw/zinc/14/53/08/1136145308.db2.gz KFABSXPNHTUCLJ-HUUCEWRRSA-N 1 3 343.468 -0.457 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)COC1CCOCC1 ZINC001372223698 1136145312 /nfs/dbraw/zinc/14/53/12/1136145312.db2.gz KFABSXPNHTUCLJ-HUUCEWRRSA-N 1 3 343.468 -0.457 20 0 EBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)CN1CCCC1=O ZINC001372477560 1136209289 /nfs/dbraw/zinc/20/92/89/1136209289.db2.gz QTSVNCUEYCSHGY-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)CN1CCCC1=O ZINC001372477560 1136209293 /nfs/dbraw/zinc/20/92/93/1136209293.db2.gz QTSVNCUEYCSHGY-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832892 1136569770 /nfs/dbraw/zinc/56/97/70/1136569770.db2.gz SBXCJCWVKGZVHE-NWDGAFQWSA-N 1 3 339.440 -0.589 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832892 1136569771 /nfs/dbraw/zinc/56/97/71/1136569771.db2.gz SBXCJCWVKGZVHE-NWDGAFQWSA-N 1 3 339.440 -0.589 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277720 1136664418 /nfs/dbraw/zinc/66/44/18/1136664418.db2.gz PZDPSHKBFWNAJC-QWHCGFSZSA-N 1 3 341.456 -0.260 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277720 1136664419 /nfs/dbraw/zinc/66/44/19/1136664419.db2.gz PZDPSHKBFWNAJC-QWHCGFSZSA-N 1 3 341.456 -0.260 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)CN1CCCC1 ZINC001374323451 1136673823 /nfs/dbraw/zinc/67/38/23/1136673823.db2.gz BQOCPLDFHYMBLL-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606766 1136742271 /nfs/dbraw/zinc/74/22/71/1136742271.db2.gz TVPMPWNBULCYPE-JSGCOSHPSA-N 1 3 326.441 -0.807 20 0 EBADHO NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001374606766 1136742273 /nfs/dbraw/zinc/74/22/73/1136742273.db2.gz TVPMPWNBULCYPE-JSGCOSHPSA-N 1 3 326.441 -0.807 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672167 1136790835 /nfs/dbraw/zinc/79/08/35/1136790835.db2.gz DWRNFPZAJCGUFB-GXTWGEPZSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672167 1136790838 /nfs/dbraw/zinc/79/08/38/1136790838.db2.gz DWRNFPZAJCGUFB-GXTWGEPZSA-N 1 3 326.441 -0.936 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374846324 1136851517 /nfs/dbraw/zinc/85/15/17/1136851517.db2.gz GRZYEPDZVCFADO-OLZOCXBDSA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374846324 1136851520 /nfs/dbraw/zinc/85/15/20/1136851520.db2.gz GRZYEPDZVCFADO-OLZOCXBDSA-N 1 3 341.456 -0.486 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001374933959 1136878874 /nfs/dbraw/zinc/87/88/74/1136878874.db2.gz RZMZVSPKLUVTNI-SRVKXCTJSA-N 1 3 329.445 -0.345 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643545229 375891540 /nfs/dbraw/zinc/89/15/40/375891540.db2.gz PQWKKBQNMMKVIH-KBXIAJHMSA-N 1 3 338.452 -0.354 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642733345 376058433 /nfs/dbraw/zinc/05/84/33/376058433.db2.gz FUWGBTPNKZWVIS-RDBSUJKOSA-N 1 3 326.441 -0.448 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642792269 376179935 /nfs/dbraw/zinc/17/99/35/376179935.db2.gz HKSTTWRSYNHBJI-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409043 376212420 /nfs/dbraw/zinc/21/24/20/376212420.db2.gz OJPWGNRLFJIJTO-UHFFFAOYSA-N 1 3 347.485 -0.343 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584172872 376218939 /nfs/dbraw/zinc/21/89/39/376218939.db2.gz IYNKNGUOUYPVDA-KFWWJZLASA-N 1 3 341.500 -0.382 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000583426775 376796860 /nfs/dbraw/zinc/79/68/60/376796860.db2.gz RCGGMEMAJDUBHT-LSDHHAIUSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513096 376856770 /nfs/dbraw/zinc/85/67/70/376856770.db2.gz TZYBFIHEBZNWHW-YNEHKIRRSA-N 1 3 325.457 -0.084 20 0 EBADHO CN(CCN1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1)Cc1ccccc1 ZINC000167701719 377417338 /nfs/dbraw/zinc/41/73/38/377417338.db2.gz JTJXTCPNEPBLQT-ZWKOTPCHSA-N 1 3 346.475 -0.015 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCCNC[C@H]2C(=O)OC)CC1 ZINC000592983524 377868196 /nfs/dbraw/zinc/86/81/96/377868196.db2.gz WVJRSROZUNCOIW-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO COC(=O)[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999885 377868608 /nfs/dbraw/zinc/86/86/08/377868608.db2.gz FUFAODDBMWXKHV-BFHYXJOUSA-N 1 3 337.420 -0.194 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000595958209 378038085 /nfs/dbraw/zinc/03/80/85/378038085.db2.gz YXHAXXGGJIMEFW-ZIAGYGMSSA-N 1 3 327.425 -0.259 20 0 EBADHO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000596692455 378068146 /nfs/dbraw/zinc/06/81/46/378068146.db2.gz GVZYTBRFLYBLMT-UONOGXRCSA-N 1 3 344.456 -0.158 20 0 EBADHO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000596692455 378068152 /nfs/dbraw/zinc/06/81/52/378068152.db2.gz GVZYTBRFLYBLMT-UONOGXRCSA-N 1 3 344.456 -0.158 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109466 378431669 /nfs/dbraw/zinc/43/16/69/378431669.db2.gz DAROOZKEGJPGCT-NXEZZACHSA-N 1 3 340.346 -0.781 20 0 EBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000570959087 378717888 /nfs/dbraw/zinc/71/78/88/378717888.db2.gz VMGKWOMUGAREET-BFHYXJOUSA-N 1 3 326.441 -0.578 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CCCO)C1 ZINC000565407649 378764709 /nfs/dbraw/zinc/76/47/09/378764709.db2.gz RLXKJSCGLUINEK-OAHLLOKOSA-N 1 3 342.484 -0.441 20 0 EBADHO CN(C)C(=O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759464 379009083 /nfs/dbraw/zinc/00/90/83/379009083.db2.gz LTBKRYSXLFZQTN-UHFFFAOYSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCCO1 ZINC000563593821 379047914 /nfs/dbraw/zinc/04/79/14/379047914.db2.gz ZAQRBFJCHVUHIF-HUUCEWRRSA-N 1 3 327.473 -0.228 20 0 EBADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629793302 379139026 /nfs/dbraw/zinc/13/90/26/379139026.db2.gz FAKHNCFEDPEAJI-CYBMUJFWSA-N 1 3 328.457 -0.391 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000629800101 379142039 /nfs/dbraw/zinc/14/20/39/379142039.db2.gz NRXOWJILONCKPV-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571455493 379181952 /nfs/dbraw/zinc/18/19/52/379181952.db2.gz UWPUAVDLVCYYJU-UHFFFAOYSA-N 1 3 328.457 -0.342 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627302392 379231532 /nfs/dbraw/zinc/23/15/32/379231532.db2.gz KPMDBMNTEZEJSI-AWEZNQCLSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC000459034352 379243274 /nfs/dbraw/zinc/24/32/74/379243274.db2.gz COFYXMYILVJPKO-KBPBESRZSA-N 1 3 325.457 -0.116 20 0 EBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269297652 379357941 /nfs/dbraw/zinc/35/79/41/379357941.db2.gz ORSLKOYNAYIXQQ-HZPDHXFCSA-N 1 3 333.436 -0.567 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839678 379367576 /nfs/dbraw/zinc/36/75/76/379367576.db2.gz WWTNOWBOPCKWOP-SUMWQHHRSA-N 1 3 338.452 -0.447 20 0 EBADHO Nc1nc(N)nc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000623859587 379474957 /nfs/dbraw/zinc/47/49/57/379474957.db2.gz SVAPQNMANCNJDP-UHFFFAOYSA-N 1 3 348.455 -0.485 20 0 EBADHO COCC[NH+](CCOC)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624215454 379530124 /nfs/dbraw/zinc/53/01/24/379530124.db2.gz LGFKTZDYTAWDIZ-UHFFFAOYSA-N 1 3 325.417 -0.740 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000627404571 379582957 /nfs/dbraw/zinc/58/29/57/379582957.db2.gz JSWJUKOETIFOGM-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000627429093 379595826 /nfs/dbraw/zinc/59/58/26/379595826.db2.gz XZKWAMKCSNNEPO-SOUVJXGZSA-N 1 3 338.452 -0.387 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000642084340 379565919 /nfs/dbraw/zinc/56/59/19/379565919.db2.gz CTYOEAKTNIHCEI-KBPBESRZSA-N 1 3 340.468 -0.058 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627384380 379576077 /nfs/dbraw/zinc/57/60/77/379576077.db2.gz CYGJWMXFAAXQPF-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000627464733 379614965 /nfs/dbraw/zinc/61/49/65/379614965.db2.gz LRECLCPKZBJXKI-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[NH2+]1 ZINC000627479220 379626503 /nfs/dbraw/zinc/62/65/03/379626503.db2.gz YHONKHHJOSZWIW-ILXRZTDVSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCN(C)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000171195109 379744951 /nfs/dbraw/zinc/74/49/51/379744951.db2.gz GBOVNJADWLKKGI-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000626978734 379770122 /nfs/dbraw/zinc/77/01/22/379770122.db2.gz JWBCRAVHRVVIRN-ZIAGYGMSSA-N 1 3 325.457 -0.558 20 0 EBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000626978734 379770134 /nfs/dbraw/zinc/77/01/34/379770134.db2.gz JWBCRAVHRVVIRN-ZIAGYGMSSA-N 1 3 325.457 -0.558 20 0 EBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000626978734 379770142 /nfs/dbraw/zinc/77/01/42/379770142.db2.gz JWBCRAVHRVVIRN-ZIAGYGMSSA-N 1 3 325.457 -0.558 20 0 EBADHO CN1CCN(CCNC(=O)NCC2([NH3+])CCOCC2)CC1(C)C ZINC000627029667 379780680 /nfs/dbraw/zinc/78/06/80/379780680.db2.gz XBNVGRCGNVOOIW-UHFFFAOYSA-N 1 3 327.473 -0.181 20 0 EBADHO CCN1CCN(CCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000614069408 379907522 /nfs/dbraw/zinc/90/75/22/379907522.db2.gz WEBUVOLTCJHARY-QGZVFWFLSA-N 1 3 326.485 -0.071 20 0 EBADHO C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)CN1CCN(C)CC1 ZINC000128577678 380001598 /nfs/dbraw/zinc/00/15/98/380001598.db2.gz MBEMLNBGKMXUPB-ZBFHGGJFSA-N 1 3 329.489 -0.518 20 0 EBADHO C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)CN1CCN(C)CC1 ZINC000128577476 380001715 /nfs/dbraw/zinc/00/17/15/380001715.db2.gz MBEMLNBGKMXUPB-HOCLYGCPSA-N 1 3 329.489 -0.518 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000074677963 380105898 /nfs/dbraw/zinc/10/58/98/380105898.db2.gz UBSMAQZQRSEUIU-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000638114301 380161736 /nfs/dbraw/zinc/16/17/36/380161736.db2.gz YMJSMFQLIQMFCW-PBHICJAKSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638109038 380150529 /nfs/dbraw/zinc/15/05/29/380150529.db2.gz QZJYFYAFJDSEAI-UHFFFAOYSA-N 1 3 347.463 -0.501 20 0 EBADHO Cc1nnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000548777389 380228358 /nfs/dbraw/zinc/22/83/58/380228358.db2.gz MZICQLBOZXUCFU-UHFFFAOYSA-N 1 3 342.469 -0.585 20 0 EBADHO C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000358506865 380237117 /nfs/dbraw/zinc/23/71/17/380237117.db2.gz UKOVNBOXDRMEJQ-ZIAGYGMSSA-N 1 3 325.457 -0.116 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245203942 380238785 /nfs/dbraw/zinc/23/87/85/380238785.db2.gz PWNRPHJDMNONIO-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245203942 380238793 /nfs/dbraw/zinc/23/87/93/380238793.db2.gz PWNRPHJDMNONIO-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO Cc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000556203880 380370029 /nfs/dbraw/zinc/37/00/29/380370029.db2.gz DDFSZCYMMDDCEH-UHFFFAOYSA-N 1 3 325.413 -0.449 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479771 380512874 /nfs/dbraw/zinc/51/28/74/380512874.db2.gz NAHSZBXSEJEHBE-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479771 380512876 /nfs/dbraw/zinc/51/28/76/380512876.db2.gz NAHSZBXSEJEHBE-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340489677 380515551 /nfs/dbraw/zinc/51/55/51/380515551.db2.gz ZELLWTFVLFXTTK-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340489677 380515557 /nfs/dbraw/zinc/51/55/57/380515557.db2.gz ZELLWTFVLFXTTK-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CO[C@H](CN)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000290196904 380464297 /nfs/dbraw/zinc/46/42/97/380464297.db2.gz QWEJLFHWYRRKBI-JKSUJKDBSA-N 1 3 348.447 -0.026 20 0 EBADHO CO[C@H](CN)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000290196904 380464298 /nfs/dbraw/zinc/46/42/98/380464298.db2.gz QWEJLFHWYRRKBI-JKSUJKDBSA-N 1 3 348.447 -0.026 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000567724032 380537270 /nfs/dbraw/zinc/53/72/70/380537270.db2.gz ULFHGYZXQBYGQS-CQSZACIVSA-N 1 3 340.468 -0.105 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](CN)C1 ZINC000569094687 380629882 /nfs/dbraw/zinc/62/98/82/380629882.db2.gz CIWWTOHWMNHGJT-CQSZACIVSA-N 1 3 339.484 -0.674 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340794457 380633309 /nfs/dbraw/zinc/63/33/09/380633309.db2.gz HEUIIISNHDLWBA-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340794457 380633312 /nfs/dbraw/zinc/63/33/12/380633312.db2.gz HEUIIISNHDLWBA-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534908 380608231 /nfs/dbraw/zinc/60/82/31/380608231.db2.gz LEOYVZZCNFCDBW-GJZGRUSLSA-N 1 3 335.452 -0.186 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000371724609 380669988 /nfs/dbraw/zinc/66/99/88/380669988.db2.gz SEZGDNRRBSQAAU-RRFJBIMHSA-N 1 3 326.441 -0.131 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000371724609 380669990 /nfs/dbraw/zinc/66/99/90/380669990.db2.gz SEZGDNRRBSQAAU-RRFJBIMHSA-N 1 3 326.441 -0.131 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)C(=O)OC)CC2)CC1 ZINC000573457102 380674287 /nfs/dbraw/zinc/67/42/87/380674287.db2.gz QCFJLKRTRRHYOI-HNNXBMFYSA-N 1 3 341.452 -0.167 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000574040550 380696946 /nfs/dbraw/zinc/69/69/46/380696946.db2.gz OBODDBYQUPVSBG-OLZOCXBDSA-N 1 3 327.473 -0.629 20 0 EBADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000572951454 380650412 /nfs/dbraw/zinc/65/04/12/380650412.db2.gz VQMVYNPLDNDKCC-AWEZNQCLSA-N 1 3 341.500 -0.476 20 0 EBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)C[C@@H](C)O1 ZINC000576823885 380787704 /nfs/dbraw/zinc/78/77/04/380787704.db2.gz WFPHWUFGIBDDCR-WCXIOVBPSA-N 1 3 329.485 -0.107 20 0 EBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1)[C@H]1CCC[NH2+]1 ZINC000122009042 380796207 /nfs/dbraw/zinc/79/62/07/380796207.db2.gz UAVFXRVPZXKCHF-ZENOOKHLSA-N 1 3 326.416 -0.205 20 0 EBADHO C[C@@H]1C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000580639202 380805595 /nfs/dbraw/zinc/80/55/95/380805595.db2.gz BBTLTOSIKGLRPE-QLFBSQMISA-N 1 3 342.484 -0.132 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000577633708 380834702 /nfs/dbraw/zinc/83/47/02/380834702.db2.gz UUNZKWLWVAJVIV-OKILXGFUSA-N 1 3 341.481 -0.099 20 0 EBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc(N2CCNCC2)ccn1 ZINC000638983559 380849591 /nfs/dbraw/zinc/84/95/91/380849591.db2.gz BZBQGCQUEKGNJH-ZDUSSCGKSA-N 1 3 332.408 -0.702 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000579346926 380984833 /nfs/dbraw/zinc/98/48/33/380984833.db2.gz YJZYGCJFSQNMFB-GFCCVEGCSA-N 1 3 327.429 -0.731 20 0 EBADHO O=C(NC1C[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000578997492 380963075 /nfs/dbraw/zinc/96/30/75/380963075.db2.gz GQSHILSHRNIZPS-GOEBONIOSA-N 1 3 328.416 -0.193 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669382 380946236 /nfs/dbraw/zinc/94/62/36/380946236.db2.gz KJEIKTWTUVKVBD-QLFBSQMISA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000578669382 380946241 /nfs/dbraw/zinc/94/62/41/380946241.db2.gz KJEIKTWTUVKVBD-QLFBSQMISA-N 1 3 335.452 -0.043 20 0 EBADHO Cn1ccnc1CN(C(=O)COC1CNC1)[C@H]1CC12CC[NH2+]CC2 ZINC000582726946 381060210 /nfs/dbraw/zinc/06/02/10/381060210.db2.gz USOXRRPPIQCBAR-AWEZNQCLSA-N 1 3 333.436 -0.121 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000617506543 381036362 /nfs/dbraw/zinc/03/63/62/381036362.db2.gz RVKUFOFSTASPNI-JKSUJKDBSA-N 1 3 325.501 -0.236 20 0 EBADHO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617508022 381037723 /nfs/dbraw/zinc/03/77/23/381037723.db2.gz RYVFARSDKRANRG-STQMWFEESA-N 1 3 336.502 -0.298 20 0 EBADHO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617508022 381037730 /nfs/dbraw/zinc/03/77/30/381037730.db2.gz RYVFARSDKRANRG-STQMWFEESA-N 1 3 336.502 -0.298 20 0 EBADHO C[C@H]1C[C@@H](CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931147 381118541 /nfs/dbraw/zinc/11/85/41/381118541.db2.gz DGTXMRROWYRFIS-KBPBESRZSA-N 1 3 336.436 -0.332 20 0 EBADHO CN(C)Cc1ccc(N2CCN(C(=O)COC3C[NH2+]C3)CC2)nc1 ZINC000584412980 381130726 /nfs/dbraw/zinc/13/07/26/381130726.db2.gz REHARKYBQCOWEC-UHFFFAOYSA-N 1 3 333.436 -0.220 20 0 EBADHO COC[C@@]1(CNC(=O)NC[C@H]2CCCCN2CCO)CCC[NH2+]1 ZINC000418640993 381254686 /nfs/dbraw/zinc/25/46/86/381254686.db2.gz RMCWAFQVGCUTAS-ZBFHGGJFSA-N 1 3 328.457 -0.099 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418727472 381257947 /nfs/dbraw/zinc/25/79/47/381257947.db2.gz FGEZZWHVFFQCDU-VXGBXAGGSA-N 1 3 347.410 -0.083 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418759140 381261553 /nfs/dbraw/zinc/26/15/53/381261553.db2.gz FXXLDNYHIKUWOP-CQSZACIVSA-N 1 3 341.456 -0.830 20 0 EBADHO C[C@@H](CNC(=O)[C@@H](C)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000347663402 381243142 /nfs/dbraw/zinc/24/31/42/381243142.db2.gz DYJFXACITDPNPM-HOTGVXAUSA-N 1 3 326.485 -0.046 20 0 EBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000633149959 381292170 /nfs/dbraw/zinc/29/21/70/381292170.db2.gz XYHYAKJOLAFTFR-UONOGXRCSA-N 1 3 325.457 -0.970 20 0 EBADHO CN(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855283 381306956 /nfs/dbraw/zinc/30/69/56/381306956.db2.gz URNNPCHUYFUMOL-HOTGVXAUSA-N 1 3 348.447 -0.538 20 0 EBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418879686 381326319 /nfs/dbraw/zinc/32/63/19/381326319.db2.gz NUUTTYHJGCJIAZ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478910 381329233 /nfs/dbraw/zinc/32/92/33/381329233.db2.gz OQOBALMYQDQQOF-GDBMZVCRSA-N 1 3 343.431 -0.059 20 0 EBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2CNCCO2)([NH+](C)C)C1 ZINC000418925023 381342389 /nfs/dbraw/zinc/34/23/89/381342389.db2.gz PVYGSMQEIHIIBU-CPUCHLNUSA-N 1 3 340.468 -0.282 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CCCCCC1 ZINC000418897020 381335039 /nfs/dbraw/zinc/33/50/39/381335039.db2.gz GSRBVLGLTURGIW-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348019946 381312416 /nfs/dbraw/zinc/31/24/16/381312416.db2.gz QFCQYERTBNKAKZ-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348019946 381312419 /nfs/dbraw/zinc/31/24/19/381312419.db2.gz QFCQYERTBNKAKZ-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000419010049 381362206 /nfs/dbraw/zinc/36/22/06/381362206.db2.gz YAUXCFGLUZGEMY-AWEZNQCLSA-N 1 3 326.441 -0.671 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419083944 381363743 /nfs/dbraw/zinc/36/37/43/381363743.db2.gz XTIXPMMNUAEKMB-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419084662 381363996 /nfs/dbraw/zinc/36/39/96/381363996.db2.gz YXWVCZITPVKMSD-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO NCCNC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419097094 381375189 /nfs/dbraw/zinc/37/51/89/381375189.db2.gz ABVLLVLHKAEQPW-UHFFFAOYSA-N 1 3 348.447 -0.105 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419123867 381384362 /nfs/dbraw/zinc/38/43/62/381384362.db2.gz QHUSRTUOSCBYRD-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419123865 381384790 /nfs/dbraw/zinc/38/47/90/381384790.db2.gz QHUSRTUOSCBYRD-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419164166 381391812 /nfs/dbraw/zinc/39/18/12/381391812.db2.gz LNEXKMQZMIIPLB-HOCLYGCPSA-N 1 3 348.447 -0.143 20 0 EBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000419212935 381399415 /nfs/dbraw/zinc/39/94/15/381399415.db2.gz KUDNTWQJBHKOCS-AWEZNQCLSA-N 1 3 334.420 -0.197 20 0 EBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)CC1 ZINC000419350441 381422583 /nfs/dbraw/zinc/42/25/83/381422583.db2.gz ZQTMSPRSUBMEJP-UHFFFAOYSA-N 1 3 347.463 -0.485 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419452951 381441262 /nfs/dbraw/zinc/44/12/62/381441262.db2.gz QOEMHNGBCMXZFO-KGLIPLIRSA-N 1 3 328.457 -0.486 20 0 EBADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419699058 381474802 /nfs/dbraw/zinc/47/48/02/381474802.db2.gz QQQQDAJYHKQLKV-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419699058 381474805 /nfs/dbraw/zinc/47/48/05/381474805.db2.gz QQQQDAJYHKQLKV-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419595729 381461517 /nfs/dbraw/zinc/46/15/17/381461517.db2.gz XBQXNGPAAZQJQA-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000419666641 381467070 /nfs/dbraw/zinc/46/70/70/381467070.db2.gz WDPQIEDNUPMUJZ-ZDUSSCGKSA-N 1 3 336.436 -0.251 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419862382 381510470 /nfs/dbraw/zinc/51/04/70/381510470.db2.gz BJHCCZPQRTXERY-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN[C@@H](C)C2)CC1 ZINC000419813495 381496155 /nfs/dbraw/zinc/49/61/55/381496155.db2.gz HDHBSCRUHRCCII-GJZGRUSLSA-N 1 3 339.484 -0.804 20 0 EBADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420145406 381545183 /nfs/dbraw/zinc/54/51/83/381545183.db2.gz OVSYZRYWXUVYSI-UONOGXRCSA-N 1 3 339.484 -0.663 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028588 381532559 /nfs/dbraw/zinc/53/25/59/381532559.db2.gz DWQQDGLZUDYDCS-OLZOCXBDSA-N 1 3 326.441 -0.230 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000572434883 381723966 /nfs/dbraw/zinc/72/39/66/381723966.db2.gz VFZGGTKFTGEPMR-CQSZACIVSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643509772 381928256 /nfs/dbraw/zinc/92/82/56/381928256.db2.gz SCFMJUCNMPGQHS-LSDHHAIUSA-N 1 3 339.484 -0.851 20 0 EBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000333712892 381952263 /nfs/dbraw/zinc/95/22/63/381952263.db2.gz SOWJXNTWFRBOFS-RBSFLKMASA-N 1 3 337.468 -0.068 20 0 EBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000333712891 381953255 /nfs/dbraw/zinc/95/32/55/381953255.db2.gz SOWJXNTWFRBOFS-QLFBSQMISA-N 1 3 337.468 -0.068 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ncn(C)c1=O ZINC000352386663 381976956 /nfs/dbraw/zinc/97/69/56/381976956.db2.gz DEBHEZDLHKGYBY-AWEZNQCLSA-N 1 3 338.456 -0.544 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ncn(C)c1=O ZINC000352386663 381976966 /nfs/dbraw/zinc/97/69/66/381976966.db2.gz DEBHEZDLHKGYBY-AWEZNQCLSA-N 1 3 338.456 -0.544 20 0 EBADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCN1C ZINC000418013891 382066423 /nfs/dbraw/zinc/06/64/23/382066423.db2.gz ZZIUZDMHAFNAFF-HZSPNIEDSA-N 1 3 325.457 -0.034 20 0 EBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000643516788 382021595 /nfs/dbraw/zinc/02/15/95/382021595.db2.gz VCADIJJVACKIFX-OWCLPIDISA-N 1 3 349.479 -0.812 20 0 EBADHO O[C@H](CN[C@H]1CCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562677 382225407 /nfs/dbraw/zinc/22/54/07/382225407.db2.gz CGLXLRDQTHBSCC-DLBZAZTESA-N 1 3 326.485 -0.561 20 0 EBADHO O[C@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)CN1CCCC1 ZINC000629562677 382225411 /nfs/dbraw/zinc/22/54/11/382225411.db2.gz CGLXLRDQTHBSCC-DLBZAZTESA-N 1 3 326.485 -0.561 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186513036 154144577 /nfs/dbraw/zinc/14/45/77/154144577.db2.gz LNBQWYASLWMKTL-XSLAGTTESA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186513036 154144579 /nfs/dbraw/zinc/14/45/79/154144579.db2.gz LNBQWYASLWMKTL-XSLAGTTESA-N 1 3 336.432 -0.458 20 0 EBADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262826931 154249097 /nfs/dbraw/zinc/24/90/97/154249097.db2.gz HLNYOVKGIJNFKV-OAHLLOKOSA-N 1 3 336.436 -0.042 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000342691349 156052437 /nfs/dbraw/zinc/05/24/37/156052437.db2.gz HHJZPDDZSBKNBB-ZDUSSCGKSA-N 1 3 342.440 -0.721 20 0 EBADHO CC(C)[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)N1CCN(C)CC1 ZINC000343436615 156134061 /nfs/dbraw/zinc/13/40/61/156134061.db2.gz DDEFAAISNCNTJT-IAGOWNOFSA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436615 156134064 /nfs/dbraw/zinc/13/40/64/156134064.db2.gz DDEFAAISNCNTJT-IAGOWNOFSA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436615 156134069 /nfs/dbraw/zinc/13/40/69/156134069.db2.gz DDEFAAISNCNTJT-IAGOWNOFSA-N 1 3 337.512 -0.236 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000343636135 156148210 /nfs/dbraw/zinc/14/82/10/156148210.db2.gz HZXHTPHTJIAYMS-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)CC1 ZINC000343683481 156155773 /nfs/dbraw/zinc/15/57/73/156155773.db2.gz WILVHCLZPLHKPW-SJORKVTESA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343683481 156155775 /nfs/dbraw/zinc/15/57/75/156155775.db2.gz WILVHCLZPLHKPW-SJORKVTESA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343683481 156155777 /nfs/dbraw/zinc/15/57/77/156155777.db2.gz WILVHCLZPLHKPW-SJORKVTESA-N 1 3 335.496 -0.385 20 0 EBADHO CC(C)N1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000356626540 157080568 /nfs/dbraw/zinc/08/05/68/157080568.db2.gz GWKVKUNHCRRLCX-MRXNPFEDSA-N 1 3 326.485 -0.025 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000358702372 157271615 /nfs/dbraw/zinc/27/16/15/157271615.db2.gz JNUHNWBETZSWCM-VYDXJSESSA-N 1 3 340.468 -0.270 20 0 EBADHO O[C@@H]1CCN(CCNc2cc(NCCN3CC[C@@H](O)C3)ncn2)C1 ZINC000624677937 415418887 /nfs/dbraw/zinc/41/88/87/415418887.db2.gz AYTGZBYIHWKTCA-ZIAGYGMSSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@@H]1CCN(CCNc2cc(NCC[N@@H+]3CC[C@@H](O)C3)ncn2)C1 ZINC000624677937 415418896 /nfs/dbraw/zinc/41/88/96/415418896.db2.gz AYTGZBYIHWKTCA-ZIAGYGMSSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@@H]1CCN(CCNc2cc(NCC[N@H+]3CC[C@@H](O)C3)ncn2)C1 ZINC000624677937 415418903 /nfs/dbraw/zinc/41/89/03/415418903.db2.gz AYTGZBYIHWKTCA-ZIAGYGMSSA-N 1 3 336.440 -0.566 20 0 EBADHO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000653116573 418990400 /nfs/dbraw/zinc/99/04/00/418990400.db2.gz LZYXDYTVOKLBKD-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653261680 419057343 /nfs/dbraw/zinc/05/73/43/419057343.db2.gz VZJGKIQIRPWHTP-FQLMCAECSA-N 1 3 340.468 -0.027 20 0 EBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000645031987 419288706 /nfs/dbraw/zinc/28/87/06/419288706.db2.gz CJFOEHFHJHJMBO-DZGCQCFKSA-N 1 3 348.451 -0.064 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC000647809935 419307647 /nfs/dbraw/zinc/30/76/47/419307647.db2.gz CMFNLJGTZHPIRF-AWEZNQCLSA-N 1 3 330.473 -0.398 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC000647809935 419307649 /nfs/dbraw/zinc/30/76/49/419307649.db2.gz CMFNLJGTZHPIRF-AWEZNQCLSA-N 1 3 330.473 -0.398 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC000647809935 419307651 /nfs/dbraw/zinc/30/76/51/419307651.db2.gz CMFNLJGTZHPIRF-AWEZNQCLSA-N 1 3 330.473 -0.398 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC000647809935 419307653 /nfs/dbraw/zinc/30/76/53/419307653.db2.gz CMFNLJGTZHPIRF-AWEZNQCLSA-N 1 3 330.473 -0.398 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728354 419321677 /nfs/dbraw/zinc/32/16/77/419321677.db2.gz HAVXFPOKQZNLQA-QLFBSQMISA-N 1 3 338.452 -0.495 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C[NH3+] ZINC000652728641 419321994 /nfs/dbraw/zinc/32/19/94/419321994.db2.gz UKBHRCASNADHCJ-ZIAGYGMSSA-N 1 3 326.441 -0.637 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000340574267 419362587 /nfs/dbraw/zinc/36/25/87/419362587.db2.gz FRBRDSWYBLJXCT-CQSZACIVSA-N 1 3 340.468 -0.163 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000340574267 419362592 /nfs/dbraw/zinc/36/25/92/419362592.db2.gz FRBRDSWYBLJXCT-CQSZACIVSA-N 1 3 340.468 -0.163 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000653416125 419436541 /nfs/dbraw/zinc/43/65/41/419436541.db2.gz IUFUKKJOPFYVQF-UHFFFAOYSA-N 1 3 328.457 -0.375 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659740644 419805137 /nfs/dbraw/zinc/80/51/37/419805137.db2.gz JHJOIPGPRSYMPI-SOUVJXGZSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000645693930 419793875 /nfs/dbraw/zinc/79/38/75/419793875.db2.gz BVGSICYVFYTFBS-KRWDZBQOSA-N 1 3 348.451 -0.063 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000645693930 419793884 /nfs/dbraw/zinc/79/38/84/419793884.db2.gz BVGSICYVFYTFBS-KRWDZBQOSA-N 1 3 348.451 -0.063 20 0 EBADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000423259530 419925356 /nfs/dbraw/zinc/92/53/56/419925356.db2.gz FFEZAJGUANVAEN-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423260888 419926285 /nfs/dbraw/zinc/92/62/85/419926285.db2.gz IPTJDRIRESMVQX-RRFJBIMHSA-N 1 3 340.468 -0.391 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000527124056 419938622 /nfs/dbraw/zinc/93/86/22/419938622.db2.gz DOJWGHQYBIAESQ-UHFFFAOYSA-N 1 3 349.435 -0.324 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803699 420694443 /nfs/dbraw/zinc/69/44/43/420694443.db2.gz DJOBKTWGURYLEL-GLKRBJQHSA-N 1 3 349.439 -0.315 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529341671 420762671 /nfs/dbraw/zinc/76/26/71/420762671.db2.gz KCJOLEPGTTUOMB-CABCVRRESA-N 1 3 326.441 -0.225 20 0 EBADHO O=C(NC[C@H]1CNCCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529341676 420763779 /nfs/dbraw/zinc/76/37/79/420763779.db2.gz KCJOLEPGTTUOMB-HUUCEWRRSA-N 1 3 326.441 -0.225 20 0 EBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)COC2(C)CNC2)CC1 ZINC000649330350 420802449 /nfs/dbraw/zinc/80/24/49/420802449.db2.gz SPZSHSDOENEXHD-UHFFFAOYSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCN(c2ccncc2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000649351764 420804914 /nfs/dbraw/zinc/80/49/14/420804914.db2.gz PVPIITWCAHJHOB-ZDUSSCGKSA-N 1 3 346.435 -0.360 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000649350679 420805205 /nfs/dbraw/zinc/80/52/05/420805205.db2.gz YJTPRUZEUGULAP-GJZGRUSLSA-N 1 3 349.483 -0.214 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654364251 420825414 /nfs/dbraw/zinc/82/54/14/420825414.db2.gz SFDPVAXLWRQHIN-LSDHHAIUSA-N 1 3 339.484 -0.527 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654364251 420825418 /nfs/dbraw/zinc/82/54/18/420825418.db2.gz SFDPVAXLWRQHIN-LSDHHAIUSA-N 1 3 339.484 -0.527 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(COC2)C1 ZINC000658537889 420960195 /nfs/dbraw/zinc/96/01/95/420960195.db2.gz YHRYCROAPGFQMK-UHFFFAOYSA-N 1 3 326.441 -0.813 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659447354 420999838 /nfs/dbraw/zinc/99/98/38/420999838.db2.gz BLBGTENQWLATMD-UUCFBXCCSA-N 1 3 337.468 -0.020 20 0 EBADHO N[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@H]1F ZINC000659542851 421003917 /nfs/dbraw/zinc/00/39/17/421003917.db2.gz YMHNLDWSESMBRC-GMTAPVOTSA-N 1 3 341.353 -0.097 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000659540877 421004222 /nfs/dbraw/zinc/00/42/22/421004222.db2.gz XSFYICBLWCERGF-UHFFFAOYSA-N 1 3 325.457 -0.042 20 0 EBADHO CN1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659609459 421005881 /nfs/dbraw/zinc/00/58/81/421005881.db2.gz WKSMCLCILXNNMY-HUUCEWRRSA-N 1 3 325.457 -0.476 20 0 EBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659675933 421013525 /nfs/dbraw/zinc/01/35/25/421013525.db2.gz UHRJGNIZHJCBOA-JTQLQIEISA-N 1 3 338.412 -0.896 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659680510 421014034 /nfs/dbraw/zinc/01/40/34/421014034.db2.gz NOQMIUKKXFMWBI-HIFRSBDPSA-N 1 3 340.468 -0.201 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000659689681 421015137 /nfs/dbraw/zinc/01/51/37/421015137.db2.gz HMJZRPSSNNFBSB-CYBMUJFWSA-N 1 3 336.436 -0.033 20 0 EBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659738876 421026038 /nfs/dbraw/zinc/02/60/38/421026038.db2.gz JWGGFGNRQCXZGD-CABCVRRESA-N 1 3 338.452 -0.304 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000659749001 421029945 /nfs/dbraw/zinc/02/99/45/421029945.db2.gz DFMVNGPOLJXARI-GFCCVEGCSA-N 1 3 335.408 -0.537 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000662699219 421096764 /nfs/dbraw/zinc/09/67/64/421096764.db2.gz YAPUCJYNYFFYJS-HOTGVXAUSA-N 1 3 348.447 -0.042 20 0 EBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000662931843 421113111 /nfs/dbraw/zinc/11/31/11/421113111.db2.gz HIXBKMZTIYEJIT-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO COC(=O)Cn1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000567212068 421229385 /nfs/dbraw/zinc/22/93/85/421229385.db2.gz CMOXOEYSKQEPER-UHFFFAOYSA-N 1 3 340.428 0.013 20 0 EBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[NH3+])CC2)C[C@@H](C)O1 ZINC000419832097 264891202 /nfs/dbraw/zinc/89/12/02/264891202.db2.gz IZMPBIAVGKKADW-ZIAGYGMSSA-N 1 3 340.468 -0.201 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419842021 264892813 /nfs/dbraw/zinc/89/28/13/264892813.db2.gz LCCJSOREBLBHHB-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423265064 264992157 /nfs/dbraw/zinc/99/21/57/264992157.db2.gz QPYPMHWHSAWHDO-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423358158 265001625 /nfs/dbraw/zinc/00/16/25/265001625.db2.gz BGAITIWFQAIDDX-OKILXGFUSA-N 1 3 334.420 -0.152 20 0 EBADHO C[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423611540 265018746 /nfs/dbraw/zinc/01/87/46/265018746.db2.gz SABNGCKEHHYORH-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423611540 265018748 /nfs/dbraw/zinc/01/87/48/265018748.db2.gz SABNGCKEHHYORH-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423611540 265018751 /nfs/dbraw/zinc/01/87/51/265018751.db2.gz SABNGCKEHHYORH-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CCN1 ZINC000423675293 265031802 /nfs/dbraw/zinc/03/18/02/265031802.db2.gz HQEHDSJAAHNPPR-CQSZACIVSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCN1 ZINC000423675293 265031804 /nfs/dbraw/zinc/03/18/04/265031804.db2.gz HQEHDSJAAHNPPR-CQSZACIVSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCN1 ZINC000423675293 265031807 /nfs/dbraw/zinc/03/18/07/265031807.db2.gz HQEHDSJAAHNPPR-CQSZACIVSA-N 1 3 327.473 -0.851 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000423694325 265033020 /nfs/dbraw/zinc/03/30/20/265033020.db2.gz ARYBWLOBQGAHIJ-ZIAGYGMSSA-N 1 3 328.457 -0.249 20 0 EBADHO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000424331183 265055823 /nfs/dbraw/zinc/05/58/23/265055823.db2.gz IZOMLPQJRMSZCM-ZIAGYGMSSA-N 1 3 325.457 -0.922 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C\C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738594 265211886 /nfs/dbraw/zinc/21/18/86/265211886.db2.gz OOCOXYONDDNGAZ-FKAFAWJWSA-N 1 3 332.448 -0.033 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C\C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738594 265211889 /nfs/dbraw/zinc/21/18/89/265211889.db2.gz OOCOXYONDDNGAZ-FKAFAWJWSA-N 1 3 332.448 -0.033 20 0 EBADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442782488 265329538 /nfs/dbraw/zinc/32/95/38/265329538.db2.gz RLFCMXNZFKZPBZ-VXGBXAGGSA-N 1 3 334.424 -0.507 20 0 EBADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442782485 265329903 /nfs/dbraw/zinc/32/99/03/265329903.db2.gz RLFCMXNZFKZPBZ-RYUDHWBXSA-N 1 3 334.424 -0.507 20 0 EBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459896555 265471350 /nfs/dbraw/zinc/47/13/50/265471350.db2.gz NABGXXXENJXAHP-HNNXBMFYSA-N 1 3 342.484 -0.034 20 0 EBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000332347038 289289759 /nfs/dbraw/zinc/28/97/59/289289759.db2.gz AFHJVVOYHCZZJF-LSDHHAIUSA-N 1 3 337.468 -0.955 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000152708729 545939663 /nfs/dbraw/zinc/93/96/63/545939663.db2.gz IKTGGPNMOUESER-CQSZACIVSA-N 1 3 348.451 -0.016 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672009748 546077973 /nfs/dbraw/zinc/07/79/73/546077973.db2.gz RMPMCJQHTGCNKX-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673218878 546134940 /nfs/dbraw/zinc/13/49/40/546134940.db2.gz IEIHJUMPHFPUSR-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000673352033 546137687 /nfs/dbraw/zinc/13/76/87/546137687.db2.gz KUVKOMAMCYOFIL-CQSZACIVSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CCCC1 ZINC000676090648 546195486 /nfs/dbraw/zinc/19/54/86/546195486.db2.gz XCEXIBCIPJHSPT-ZDUSSCGKSA-N 1 3 336.440 -0.016 20 0 EBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891822 546239653 /nfs/dbraw/zinc/23/96/53/546239653.db2.gz SJHHQMWSSLTRGO-DLBZAZTESA-N 1 3 335.496 -0.385 20 0 EBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891822 546239655 /nfs/dbraw/zinc/23/96/55/546239655.db2.gz SJHHQMWSSLTRGO-DLBZAZTESA-N 1 3 335.496 -0.385 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000680833041 546292786 /nfs/dbraw/zinc/29/27/86/546292786.db2.gz NBCUAHFOOUOAOW-INIZCTEOSA-N 1 3 327.473 -0.622 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000680833041 546292791 /nfs/dbraw/zinc/29/27/91/546292791.db2.gz NBCUAHFOOUOAOW-INIZCTEOSA-N 1 3 327.473 -0.622 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891480348 582557155 /nfs/dbraw/zinc/55/71/55/582557155.db2.gz BCHSFSBGNTUDJS-HZSPNIEDSA-N 1 3 325.457 -0.034 20 0 EBADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559629 582558033 /nfs/dbraw/zinc/55/80/33/582558033.db2.gz GKPHPOOSMFNIRJ-MYPMTAMASA-N 1 3 349.435 -0.200 20 0 EBADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000897514588 582694550 /nfs/dbraw/zinc/69/45/50/582694550.db2.gz UFFQPQGMWCJECM-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000897514588 582694551 /nfs/dbraw/zinc/69/45/51/582694551.db2.gz UFFQPQGMWCJECM-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCNC(=O)C3)CC2)CC1 ZINC000900445691 582769968 /nfs/dbraw/zinc/76/99/68/582769968.db2.gz JDYFUZMHALOLCY-UHFFFAOYSA-N 1 3 337.468 -0.907 20 0 EBADHO C[C@@H]1CN(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000741085194 583069398 /nfs/dbraw/zinc/06/93/98/583069398.db2.gz MMLAXMZEIBCICV-OAHLLOKOSA-N 1 3 329.489 -0.158 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=S)NCC[NH+](C)C ZINC000751041246 583141472 /nfs/dbraw/zinc/14/14/72/583141472.db2.gz ZMFIUZMVLPUGEP-ZDUSSCGKSA-N 1 3 329.514 -0.045 20 0 EBADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804031473 583636040 /nfs/dbraw/zinc/63/60/40/583636040.db2.gz HBHNJFCTIRANQH-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804031473 583636042 /nfs/dbraw/zinc/63/60/42/583636042.db2.gz HBHNJFCTIRANQH-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000804051068 583636687 /nfs/dbraw/zinc/63/66/87/583636687.db2.gz NADDBJQCPDLUOR-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000804051068 583636688 /nfs/dbraw/zinc/63/66/88/583636688.db2.gz NADDBJQCPDLUOR-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804053394 583638145 /nfs/dbraw/zinc/63/81/45/583638145.db2.gz JQZPASGAADVAPT-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000842164300 584058497 /nfs/dbraw/zinc/05/84/97/584058497.db2.gz IEZTXCBRLUGFBM-UONOGXRCSA-N 1 3 338.452 -0.256 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842165541 584058907 /nfs/dbraw/zinc/05/89/07/584058907.db2.gz ZBOANASRNDLQFF-XQLPTFJDSA-N 1 3 338.452 -0.306 20 0 EBADHO CCO[C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000846142990 584122400 /nfs/dbraw/zinc/12/24/00/584122400.db2.gz CBBWIGOVWHADDS-APIJFGDWSA-N 1 3 326.441 -0.145 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C[C@H]1C[NH3+] ZINC000846335896 584124849 /nfs/dbraw/zinc/12/48/49/584124849.db2.gz SQBISUNNABSUSI-RBSFLKMASA-N 1 3 340.468 -0.201 20 0 EBADHO NC[C@@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)=NO1 ZINC000852902375 584219698 /nfs/dbraw/zinc/21/96/98/584219698.db2.gz DRDBEWGQUIYLBV-GJZGRUSLSA-N 1 3 332.404 -0.027 20 0 EBADHO NC[C@@H]1CC(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)=NO1 ZINC000852902375 584219699 /nfs/dbraw/zinc/21/96/99/584219699.db2.gz DRDBEWGQUIYLBV-GJZGRUSLSA-N 1 3 332.404 -0.027 20 0 EBADHO C[Si](C)(CCN1C[C@H](O)C[C@H](O)C1)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000859152888 584296588 /nfs/dbraw/zinc/29/65/88/584296588.db2.gz SGQGDNZWVMYSSS-GEEKYZPCSA-N 1 3 346.544 -0.450 20 0 EBADHO C[Si](C)(CCN1C[C@H](O)C[C@H](O)C1)CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000859152888 584296590 /nfs/dbraw/zinc/29/65/90/584296590.db2.gz SGQGDNZWVMYSSS-GEEKYZPCSA-N 1 3 346.544 -0.450 20 0 EBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000861732173 584335865 /nfs/dbraw/zinc/33/58/65/584335865.db2.gz KKULBKNTMHJKQX-BBRMVZONSA-N 1 3 348.447 -0.325 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861756358 584337595 /nfs/dbraw/zinc/33/75/95/584337595.db2.gz YDPVUGBRQBUFDW-BFHYXJOUSA-N 1 3 336.436 -0.633 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875088157 584489321 /nfs/dbraw/zinc/48/93/21/584489321.db2.gz YKDGDXFMNJRIGU-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875088157 584489324 /nfs/dbraw/zinc/48/93/24/584489324.db2.gz YKDGDXFMNJRIGU-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876745969 584522120 /nfs/dbraw/zinc/52/21/20/584522120.db2.gz HIVVPSCFRHXFLQ-XHSDSOJGSA-N 1 3 325.501 -0.108 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876745969 584522121 /nfs/dbraw/zinc/52/21/21/584522121.db2.gz HIVVPSCFRHXFLQ-XHSDSOJGSA-N 1 3 325.501 -0.108 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884597664 584629044 /nfs/dbraw/zinc/62/90/44/584629044.db2.gz GMEADNSERUFUSY-CABCVRRESA-N 1 3 339.484 -0.532 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000884603860 584629231 /nfs/dbraw/zinc/62/92/31/584629231.db2.gz TUTNAUGRPQCKRL-CQSZACIVSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000884640153 584631168 /nfs/dbraw/zinc/63/11/68/584631168.db2.gz VIBSPMIZFVGHDM-UONOGXRCSA-N 1 3 338.452 -0.304 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884669595 584632566 /nfs/dbraw/zinc/63/25/66/584632566.db2.gz APYQNGUGXNQDQC-LSDHHAIUSA-N 1 3 339.484 -0.674 20 0 EBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885286485 584647233 /nfs/dbraw/zinc/64/72/33/584647233.db2.gz WQCGWWLLDURECW-RYUDHWBXSA-N 1 3 332.395 -0.052 20 0 EBADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000887087998 584676025 /nfs/dbraw/zinc/67/60/25/584676025.db2.gz IIRVPUMXBWDTLT-CQSZACIVSA-N 1 3 340.468 -0.105 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000887091270 584676310 /nfs/dbraw/zinc/67/63/10/584676310.db2.gz GGGDGXAVFYHQPI-UONOGXRCSA-N 1 3 331.420 -0.074 20 0 EBADHO COCCN(C)C[C@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451420 584678264 /nfs/dbraw/zinc/67/82/64/584678264.db2.gz MVCKSSKGFWNXHY-HIFRSBDPSA-N 1 3 326.445 -0.860 20 0 EBADHO COC[C@H]1CNCCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000905018892 650060462 /nfs/dbraw/zinc/06/04/62/650060462.db2.gz ZJGLRWKVKULTOK-OAHLLOKOSA-N 1 3 338.452 -0.480 20 0 EBADHO CC(C)CN1CCO[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000905396494 650063476 /nfs/dbraw/zinc/06/34/76/650063476.db2.gz OIGSBDJKTFGBMI-INIZCTEOSA-N 1 3 326.485 -0.047 20 0 EBADHO CC(C)CN1CCO[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000905396494 650063478 /nfs/dbraw/zinc/06/34/78/650063478.db2.gz OIGSBDJKTFGBMI-INIZCTEOSA-N 1 3 326.485 -0.047 20 0 EBADHO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907588745 650087314 /nfs/dbraw/zinc/08/73/14/650087314.db2.gz QSEBKVFHKPJFSE-CQSZACIVSA-N 1 3 326.485 -0.217 20 0 EBADHO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907588745 650087316 /nfs/dbraw/zinc/08/73/16/650087316.db2.gz QSEBKVFHKPJFSE-CQSZACIVSA-N 1 3 326.485 -0.217 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCCCC1 ZINC000910947373 650141603 /nfs/dbraw/zinc/14/16/03/650141603.db2.gz WVHSEVYIZRSZDV-AWEZNQCLSA-N 1 3 339.484 -0.484 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)N1CCCCC1 ZINC000910946451 650141658 /nfs/dbraw/zinc/14/16/58/650141658.db2.gz MCWIQFYMVRNICU-CZUORRHYSA-N 1 3 326.441 -0.711 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911093220 650150666 /nfs/dbraw/zinc/15/06/66/650150666.db2.gz XALFZHJJHMCNHL-OAHLLOKOSA-N 1 3 339.484 -0.756 20 0 EBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911093220 650150667 /nfs/dbraw/zinc/15/06/67/650150667.db2.gz XALFZHJJHMCNHL-OAHLLOKOSA-N 1 3 339.484 -0.756 20 0 EBADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911117317 650152287 /nfs/dbraw/zinc/15/22/87/650152287.db2.gz ZSCLQOCXMZADLP-UHFFFAOYSA-N 1 3 339.484 -0.612 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000911147799 650154038 /nfs/dbraw/zinc/15/40/38/650154038.db2.gz JOCAAHGOTCOHFO-UONOGXRCSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149170 650155089 /nfs/dbraw/zinc/15/50/89/650155089.db2.gz VAZYLOHSNFYLSX-RRFJBIMHSA-N 1 3 338.452 -0.386 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911206486 650159547 /nfs/dbraw/zinc/15/95/47/650159547.db2.gz GTLMVDPBGLDCAF-CZUORRHYSA-N 1 3 326.441 -0.711 20 0 EBADHO CN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1(C[NH3+])CCOCC1 ZINC000911222321 650161027 /nfs/dbraw/zinc/16/10/27/650161027.db2.gz CTXQQRDUMSGMRF-CQSZACIVSA-N 1 3 338.452 -0.447 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911259283 650164025 /nfs/dbraw/zinc/16/40/25/650164025.db2.gz XHILLKBBKKBVHA-DYVFJYSZSA-N 1 3 340.468 -0.465 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC000911268748 650164697 /nfs/dbraw/zinc/16/46/97/650164697.db2.gz FSRYKPRGRRSRNE-ZIAGYGMSSA-N 1 3 339.484 -0.818 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C ZINC000911270508 650165174 /nfs/dbraw/zinc/16/51/74/650165174.db2.gz XZRRBAFQJJHXNZ-HNNXBMFYSA-N 1 3 341.500 -0.558 20 0 EBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000911335880 650171655 /nfs/dbraw/zinc/17/16/55/650171655.db2.gz BZOPRLDBMAOPIA-ZIAGYGMSSA-N 1 3 338.452 -0.530 20 0 EBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000911335877 650171797 /nfs/dbraw/zinc/17/17/97/650171797.db2.gz BZOPRLDBMAOPIA-KBPBESRZSA-N 1 3 338.452 -0.530 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911330361 650171928 /nfs/dbraw/zinc/17/19/28/650171928.db2.gz JSLACFDMAMTUNU-RHSMWYFYSA-N 1 3 340.468 -0.465 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000911370330 650176221 /nfs/dbraw/zinc/17/62/21/650176221.db2.gz WWPWHUJKDNJTEU-HZSPNIEDSA-N 1 3 326.441 -0.720 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911410911 650179367 /nfs/dbraw/zinc/17/93/67/650179367.db2.gz GPBMKUXZDHPAGB-UHFFFAOYSA-N 1 3 339.484 -0.626 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000911379281 650177129 /nfs/dbraw/zinc/17/71/29/650177129.db2.gz COWZJTBGOKHXOK-ILXRZTDVSA-N 1 3 340.468 -0.473 20 0 EBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)C1 ZINC000923422980 650339541 /nfs/dbraw/zinc/33/95/41/650339541.db2.gz YIORNOVLIRSJER-IBPCWRJOSA-N 1 3 325.453 -0.031 20 0 EBADHO O=C(CCN1CCNCC[NH2+]CC1)N1CCN(c2ccccn2)CC1 ZINC000923464091 650341615 /nfs/dbraw/zinc/34/16/15/650341615.db2.gz ZFEHVZABGZBDSM-UHFFFAOYSA-N 1 3 346.479 -0.385 20 0 EBADHO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000923661498 650351174 /nfs/dbraw/zinc/35/11/74/650351174.db2.gz KRMVZZOGJWIEIU-UWVGGRQHSA-N 1 3 330.376 -0.405 20 0 EBADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926339177 650387438 /nfs/dbraw/zinc/38/74/38/650387438.db2.gz DDIVEHFVSTXDES-CABCVRRESA-N 1 3 337.468 -0.907 20 0 EBADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926339177 650387440 /nfs/dbraw/zinc/38/74/40/650387440.db2.gz DDIVEHFVSTXDES-CABCVRRESA-N 1 3 337.468 -0.907 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926328834 650386115 /nfs/dbraw/zinc/38/61/15/650386115.db2.gz SRTWYHGLMQIUQY-LSDHHAIUSA-N 1 3 340.468 -0.247 20 0 EBADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)N1CC[NH+](C)CC1 ZINC000929305937 651541940 /nfs/dbraw/zinc/54/19/40/651541940.db2.gz ZQGFEQFYTWESJK-LSDHHAIUSA-N 1 3 339.484 -0.805 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C[NH+](C)C ZINC000929991781 651574669 /nfs/dbraw/zinc/57/46/69/651574669.db2.gz JISZXTRKORZTQH-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943591276 653433335 /nfs/dbraw/zinc/43/33/35/653433335.db2.gz GKNLYRJNNCQMOQ-NWANDNLSSA-N 1 3 349.435 -0.364 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943591276 653433339 /nfs/dbraw/zinc/43/33/39/653433339.db2.gz GKNLYRJNNCQMOQ-NWANDNLSSA-N 1 3 349.435 -0.364 20 0 EBADHO COCCN1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076700 722301339 /nfs/dbraw/zinc/30/13/39/722301339.db2.gz JXHVPNHVENVHSE-ZFWWWQNUSA-N 1 3 339.440 -0.886 20 0 EBADHO COCCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958467386 722371361 /nfs/dbraw/zinc/37/13/61/722371361.db2.gz HRBGMTXRUXHJFM-HIFRSBDPSA-N 1 3 339.440 -0.886 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC000962311220 723223890 /nfs/dbraw/zinc/22/38/90/723223890.db2.gz XDORSZMHFKJJAJ-BSXFFOKHSA-N 1 3 334.464 -0.003 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC000962311220 723223895 /nfs/dbraw/zinc/22/38/95/723223895.db2.gz XDORSZMHFKJJAJ-BSXFFOKHSA-N 1 3 334.464 -0.003 20 0 EBADHO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000963839752 723498688 /nfs/dbraw/zinc/49/86/88/723498688.db2.gz XFIMMEYKXANYNU-NDEDZJTOSA-N 1 3 336.436 -0.648 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001019241620 728835463 /nfs/dbraw/zinc/83/54/63/728835463.db2.gz PBZHATLDDVEAQW-HZSPNIEDSA-N 1 3 329.466 -0.294 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000964188095 723869276 /nfs/dbraw/zinc/86/92/76/723869276.db2.gz CRVSODRLKSRHPQ-TZMCWYRMSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000964188095 723869278 /nfs/dbraw/zinc/86/92/78/723869278.db2.gz CRVSODRLKSRHPQ-TZMCWYRMSA-N 1 3 335.408 -0.753 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001019394668 728878286 /nfs/dbraw/zinc/87/82/86/728878286.db2.gz MHIVHOODNOGONQ-RYUDHWBXSA-N 1 3 325.413 -0.931 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001019438663 728883389 /nfs/dbraw/zinc/88/33/89/728883389.db2.gz RCASYJGGVMUUKW-ZDUSSCGKSA-N 1 3 340.449 -0.033 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001019438257 728883404 /nfs/dbraw/zinc/88/34/04/728883404.db2.gz JDGSNTZKUUKOLI-OLZOCXBDSA-N 1 3 340.449 -0.033 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965700405 724376410 /nfs/dbraw/zinc/37/64/10/724376410.db2.gz DVOZTVIPAOFASD-TZMCWYRMSA-N 1 3 347.419 -0.610 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965700405 724376413 /nfs/dbraw/zinc/37/64/13/724376413.db2.gz DVOZTVIPAOFASD-TZMCWYRMSA-N 1 3 347.419 -0.610 20 0 EBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC000968915299 725128691 /nfs/dbraw/zinc/12/86/91/725128691.db2.gz HNJAPDDPWZXOEN-CJNGLKHVSA-N 1 3 336.436 -0.334 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC000969077296 725148603 /nfs/dbraw/zinc/14/86/03/725148603.db2.gz PBOYCCSNUMTIBW-MGPQQGTHSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000969954218 725231946 /nfs/dbraw/zinc/23/19/46/725231946.db2.gz BZAZWOLEDRAYRB-ZIAGYGMSSA-N 1 3 336.436 -0.332 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC000970713066 725319917 /nfs/dbraw/zinc/31/99/17/725319917.db2.gz WJXIIMOHLURWQQ-UONOGXRCSA-N 1 3 344.481 -0.836 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC000970713066 725319919 /nfs/dbraw/zinc/31/99/19/725319919.db2.gz WJXIIMOHLURWQQ-UONOGXRCSA-N 1 3 344.481 -0.836 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001051651368 735292692 /nfs/dbraw/zinc/29/26/92/735292692.db2.gz KWSFOCXGOTVSDO-KBPBESRZSA-N 1 3 338.452 -0.434 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000995811504 726303214 /nfs/dbraw/zinc/30/32/14/726303214.db2.gz GUBUNCTZUDWECL-ZDUSSCGKSA-N 1 3 336.440 -0.630 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000976560406 726350646 /nfs/dbraw/zinc/35/06/46/726350646.db2.gz WCRSUQPNGUIDDT-ZOFXXKQRSA-N 1 3 346.475 -0.005 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000976601063 726358739 /nfs/dbraw/zinc/35/87/39/726358739.db2.gz QBJJOGLRNXUXKV-NPCUJANDSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC[N@H+]1C ZINC000976601063 726358742 /nfs/dbraw/zinc/35/87/42/726358742.db2.gz QBJJOGLRNXUXKV-NPCUJANDSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998553415 726490670 /nfs/dbraw/zinc/49/06/70/726490670.db2.gz WQKHZRJOCSZJML-YMAMQOFZSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC000999407061 726518759 /nfs/dbraw/zinc/51/87/59/726518759.db2.gz CNNIYTUCZADBQK-NFOMZHRRSA-N 1 3 337.468 -0.068 20 0 EBADHO O=C(NCc1cn([C@H]2CCN(CCO)C2)nn1)[C@H]1C[NH+]2CCC1CC2 ZINC000999986995 726547513 /nfs/dbraw/zinc/54/75/13/726547513.db2.gz MKNCEUNCJBSJAM-HOTGVXAUSA-N 1 3 348.451 -0.525 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001000311254 726563535 /nfs/dbraw/zinc/56/35/35/726563535.db2.gz GXSWDWJDLJSVFE-OLZOCXBDSA-N 1 3 340.449 -0.033 20 0 EBADHO C[C@H](N[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001000435625 726566904 /nfs/dbraw/zinc/56/69/04/726566904.db2.gz ZRUIFFNQIDHZLM-GXTWGEPZSA-N 1 3 336.440 -0.487 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001000919729 726583843 /nfs/dbraw/zinc/58/38/43/726583843.db2.gz QOSYVHHWRAELCW-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001000919729 726583844 /nfs/dbraw/zinc/58/38/44/726583844.db2.gz QOSYVHHWRAELCW-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001003496453 726676881 /nfs/dbraw/zinc/67/68/81/726676881.db2.gz KMDVUKIAPMGIIC-ZFWWWQNUSA-N 1 3 340.468 -0.189 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001051825659 735417410 /nfs/dbraw/zinc/41/74/10/735417410.db2.gz VCNGHDFBSGYQRB-KBPBESRZSA-N 1 3 338.452 -0.576 20 0 EBADHO Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)cc1=O ZINC001051848423 735426435 /nfs/dbraw/zinc/42/64/35/735426435.db2.gz QZNLGBXDRIJGNN-HNNXBMFYSA-N 1 3 345.403 -0.332 20 0 EBADHO O=C([C@@H]1CCCc2nccn21)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052036935 735514595 /nfs/dbraw/zinc/51/45/95/735514595.db2.gz YLOZUNPGWRFZOR-HOTGVXAUSA-N 1 3 347.463 -0.029 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC001019772920 728988387 /nfs/dbraw/zinc/98/83/87/728988387.db2.gz WJXIIMOHLURWQQ-KGLIPLIRSA-N 1 3 344.481 -0.836 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC001019772920 728988389 /nfs/dbraw/zinc/98/83/89/728988389.db2.gz WJXIIMOHLURWQQ-KGLIPLIRSA-N 1 3 344.481 -0.836 20 0 EBADHO CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1=O ZINC001020406997 729160639 /nfs/dbraw/zinc/16/06/39/729160639.db2.gz JWDXNMGKUCEBCH-HUFQEZISSA-N 1 3 348.447 -0.683 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001022118960 729457214 /nfs/dbraw/zinc/45/72/14/729457214.db2.gz BBSBLSSICPQTKP-LJISPDSOSA-N 1 3 334.424 -0.622 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022118923 729457255 /nfs/dbraw/zinc/45/72/55/729457255.db2.gz ANKXNJKCSYTYBO-COMQUAJESA-N 1 3 334.424 -0.585 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022118923 729457256 /nfs/dbraw/zinc/45/72/56/729457256.db2.gz ANKXNJKCSYTYBO-COMQUAJESA-N 1 3 334.424 -0.585 20 0 EBADHO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001022451655 729495105 /nfs/dbraw/zinc/49/51/05/729495105.db2.gz DNJXZVMMDIXRAJ-QAVLVDEHSA-N 1 3 348.447 -0.681 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022842510 729538432 /nfs/dbraw/zinc/53/84/32/729538432.db2.gz QWGRTQILYWZUGC-KCQAQPDRSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022842510 729538435 /nfs/dbraw/zinc/53/84/35/729538435.db2.gz QWGRTQILYWZUGC-KCQAQPDRSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001023750250 729792696 /nfs/dbraw/zinc/79/26/96/729792696.db2.gz IZEKJLOENXHRSN-GJZGRUSLSA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001023750250 729792697 /nfs/dbraw/zinc/79/26/97/729792697.db2.gz IZEKJLOENXHRSN-GJZGRUSLSA-N 1 3 337.468 -0.209 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024180099 729856228 /nfs/dbraw/zinc/85/62/28/729856228.db2.gz SQNCFURXEMNVAG-WCQYABFASA-N 1 3 333.392 -0.414 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024955944 729945491 /nfs/dbraw/zinc/94/54/91/729945491.db2.gz MEMHISJTASYDCP-BPLDGKMQSA-N 1 3 349.435 -0.710 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024955944 729945493 /nfs/dbraw/zinc/94/54/93/729945493.db2.gz MEMHISJTASYDCP-BPLDGKMQSA-N 1 3 349.435 -0.710 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787210 730088191 /nfs/dbraw/zinc/08/81/91/730088191.db2.gz ADHGTRCFPYBBGN-SSZWKKLZSA-N 1 3 346.431 -0.820 20 0 EBADHO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001025973942 730114152 /nfs/dbraw/zinc/11/41/52/730114152.db2.gz TUEWJSYMANNRCG-VQJWOFKYSA-N 1 3 338.452 -0.724 20 0 EBADHO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001025973942 730114153 /nfs/dbraw/zinc/11/41/53/730114153.db2.gz TUEWJSYMANNRCG-VQJWOFKYSA-N 1 3 338.452 -0.724 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040879 730117295 /nfs/dbraw/zinc/11/72/95/730117295.db2.gz SVLSFEADLBVPNX-CQUYNDQOSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040879 730117296 /nfs/dbraw/zinc/11/72/96/730117296.db2.gz SVLSFEADLBVPNX-CQUYNDQOSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001026045842 730118140 /nfs/dbraw/zinc/11/81/40/730118140.db2.gz NMMQCYUEDHZRHW-NBFUAULTSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001026045842 730118141 /nfs/dbraw/zinc/11/81/41/730118141.db2.gz NMMQCYUEDHZRHW-NBFUAULTSA-N 1 3 334.464 -0.147 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CCC3=O)C2)C1 ZINC001028982406 730377978 /nfs/dbraw/zinc/37/79/78/730377978.db2.gz KKMGUHJGHHLPPN-KGLIPLIRSA-N 1 3 336.436 -0.475 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CCC3=O)C2)C1 ZINC001028982406 730377981 /nfs/dbraw/zinc/37/79/81/730377981.db2.gz KKMGUHJGHHLPPN-KGLIPLIRSA-N 1 3 336.436 -0.475 20 0 EBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001033594938 731045483 /nfs/dbraw/zinc/04/54/83/731045483.db2.gz SVJCIOKRYYAZMK-HOTGVXAUSA-N 1 3 347.463 -0.128 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001034957102 731167617 /nfs/dbraw/zinc/16/76/17/731167617.db2.gz JXZJUFKSBDJYGG-CHWSQXEVSA-N 1 3 336.436 -0.144 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040105332 731601684 /nfs/dbraw/zinc/60/16/84/731601684.db2.gz YBNALLDVSJKPBZ-WMLDXEAASA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040105332 731601687 /nfs/dbraw/zinc/60/16/87/731601687.db2.gz YBNALLDVSJKPBZ-WMLDXEAASA-N 1 3 340.468 -0.642 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351618 731707236 /nfs/dbraw/zinc/70/72/36/731707236.db2.gz KWHWAQDPCAGYOR-CXAGYDPISA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351618 731707241 /nfs/dbraw/zinc/70/72/41/731707241.db2.gz KWHWAQDPCAGYOR-CXAGYDPISA-N 1 3 349.435 -0.626 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001040719548 731846424 /nfs/dbraw/zinc/84/64/24/731846424.db2.gz XSIVWOXFFZEBKU-MRXNPFEDSA-N 1 3 337.424 -0.626 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001040719547 731846462 /nfs/dbraw/zinc/84/64/62/731846462.db2.gz XSIVWOXFFZEBKU-INIZCTEOSA-N 1 3 337.424 -0.626 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829642 732235028 /nfs/dbraw/zinc/23/50/28/732235028.db2.gz ABDOIRYQIHAVMY-MAUKXSAKSA-N 1 3 349.479 -0.112 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829642 732235029 /nfs/dbraw/zinc/23/50/29/732235029.db2.gz ABDOIRYQIHAVMY-MAUKXSAKSA-N 1 3 349.479 -0.112 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3CCN(CCO)[C@H]3C2)n1 ZINC001042064511 732293835 /nfs/dbraw/zinc/29/38/35/732293835.db2.gz HEIWZLQXDBIFNV-ZBFHGGJFSA-N 1 3 335.452 -0.027 20 0 EBADHO CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061594972 738634467 /nfs/dbraw/zinc/63/44/67/738634467.db2.gz ALKCKABVDNEGGV-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061594972 738634471 /nfs/dbraw/zinc/63/44/71/738634471.db2.gz ALKCKABVDNEGGV-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043416267 732923673 /nfs/dbraw/zinc/92/36/73/732923673.db2.gz VOFDNZIMIRCAGY-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043468205 732958610 /nfs/dbraw/zinc/95/86/10/732958610.db2.gz BOJHJDKWLBKPOW-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061651696 738673222 /nfs/dbraw/zinc/67/32/22/738673222.db2.gz VQMPWBUEVNJGCU-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061651696 738673224 /nfs/dbraw/zinc/67/32/24/738673224.db2.gz VQMPWBUEVNJGCU-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044011500 733245866 /nfs/dbraw/zinc/24/58/66/733245866.db2.gz PTXOQLGCYZFOQN-CQSZACIVSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044011500 733245868 /nfs/dbraw/zinc/24/58/68/733245868.db2.gz PTXOQLGCYZFOQN-CQSZACIVSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001044023436 733250298 /nfs/dbraw/zinc/25/02/98/733250298.db2.gz MSABEYMLMGUJRB-CYBMUJFWSA-N 1 3 338.452 -0.888 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001044043941 733259992 /nfs/dbraw/zinc/25/99/92/733259992.db2.gz HYXQWSINWHROLN-MCIONIFRSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001044043941 733259993 /nfs/dbraw/zinc/25/99/93/733259993.db2.gz HYXQWSINWHROLN-MCIONIFRSA-N 1 3 340.468 -0.644 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044291052 733361208 /nfs/dbraw/zinc/36/12/08/733361208.db2.gz LWZFPORTLMJODU-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001044291052 733361212 /nfs/dbraw/zinc/36/12/12/733361212.db2.gz LWZFPORTLMJODU-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001044298546 733366033 /nfs/dbraw/zinc/36/60/33/733366033.db2.gz NMBZIVOUTQAABE-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001044298546 733366037 /nfs/dbraw/zinc/36/60/37/733366037.db2.gz NMBZIVOUTQAABE-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1)N(C)C ZINC001046038322 733823040 /nfs/dbraw/zinc/82/30/40/733823040.db2.gz KLWILTHTIBNCDC-HZPDHXFCSA-N 1 3 326.485 -0.073 20 0 EBADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1)N(C)C ZINC001046038322 733823047 /nfs/dbraw/zinc/82/30/47/733823047.db2.gz KLWILTHTIBNCDC-HZPDHXFCSA-N 1 3 326.485 -0.073 20 0 EBADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859061 738789451 /nfs/dbraw/zinc/78/94/51/738789451.db2.gz DDNJYZVBAMROMV-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862400 738791352 /nfs/dbraw/zinc/79/13/52/738791352.db2.gz SRCSMPQJDMBIGW-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048723603 734483794 /nfs/dbraw/zinc/48/37/94/734483794.db2.gz JTUZEOKNKSCEAR-QLFBSQMISA-N 1 3 335.452 -0.504 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048723603 734483797 /nfs/dbraw/zinc/48/37/97/734483797.db2.gz JTUZEOKNKSCEAR-QLFBSQMISA-N 1 3 335.452 -0.504 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001048873877 734550090 /nfs/dbraw/zinc/55/00/90/734550090.db2.gz NYXPDDNKYOUDRK-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048873877 734550093 /nfs/dbraw/zinc/55/00/93/734550093.db2.gz NYXPDDNKYOUDRK-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057028 734629085 /nfs/dbraw/zinc/62/90/85/734629085.db2.gz IWCNOKUDSKPAFB-KBXIAJHMSA-N 1 3 348.447 -0.334 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057028 734629086 /nfs/dbraw/zinc/62/90/86/734629086.db2.gz IWCNOKUDSKPAFB-KBXIAJHMSA-N 1 3 348.447 -0.334 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001049435852 734729932 /nfs/dbraw/zinc/72/99/32/734729932.db2.gz UARYTZMOWCWHQJ-KKUMJFAQSA-N 1 3 340.468 -0.690 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001054296255 736187503 /nfs/dbraw/zinc/18/75/03/736187503.db2.gz CIVUTGVAFJOLNV-IPYPFGDCSA-N 1 3 338.452 -0.042 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104534 736642863 /nfs/dbraw/zinc/64/28/63/736642863.db2.gz DAFLSKYJIBPEMB-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632940 737373178 /nfs/dbraw/zinc/37/31/78/737373178.db2.gz ASZQFXOLDVGVKE-AWEZNQCLSA-N 1 3 328.457 -0.783 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632940 737373185 /nfs/dbraw/zinc/37/31/85/737373185.db2.gz ASZQFXOLDVGVKE-AWEZNQCLSA-N 1 3 328.457 -0.783 20 0 EBADHO CN(C)C1(C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)CCC1 ZINC001057875033 737494116 /nfs/dbraw/zinc/49/41/16/737494116.db2.gz IZERCALVNMBFNR-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CN(C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001057875566 737494433 /nfs/dbraw/zinc/49/44/33/737494433.db2.gz ZXJSDLMNPBTNKK-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001057875566 737494434 /nfs/dbraw/zinc/49/44/34/737494434.db2.gz ZXJSDLMNPBTNKK-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C)N(C)C ZINC001057876394 737495640 /nfs/dbraw/zinc/49/56/40/737495640.db2.gz IODPAHAIDGONEW-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)N(C)C ZINC001057877159 737497228 /nfs/dbraw/zinc/49/72/28/737497228.db2.gz ZUHKMYCYYGUVHL-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)N(C)C ZINC001057877159 737497230 /nfs/dbraw/zinc/49/72/30/737497230.db2.gz ZUHKMYCYYGUVHL-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001057975627 737573295 /nfs/dbraw/zinc/57/32/95/737573295.db2.gz ZHJUQDYAHLBJRG-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001057975627 737573297 /nfs/dbraw/zinc/57/32/97/737573297.db2.gz ZHJUQDYAHLBJRG-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001058157540 737679742 /nfs/dbraw/zinc/67/97/42/737679742.db2.gz APVWRXSSWXFZJN-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001058157540 737679743 /nfs/dbraw/zinc/67/97/43/737679743.db2.gz APVWRXSSWXFZJN-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)N(C)C ZINC001058168730 737690674 /nfs/dbraw/zinc/69/06/74/737690674.db2.gz SFFVZNUGALDXPW-AWEZNQCLSA-N 1 3 330.473 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001058168752 737690776 /nfs/dbraw/zinc/69/07/76/737690776.db2.gz TUXLWASJKMIOBM-GJZGRUSLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001058168752 737690778 /nfs/dbraw/zinc/69/07/78/737690778.db2.gz TUXLWASJKMIOBM-GJZGRUSLSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001058253921 737736165 /nfs/dbraw/zinc/73/61/65/737736165.db2.gz NNSHRZXHUFTWGB-INIZCTEOSA-N 1 3 344.500 -0.149 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710799 737961389 /nfs/dbraw/zinc/96/13/89/737961389.db2.gz PPOPNQSKGBRLAO-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO C[C@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058845203 738025539 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CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001065670411 739834682 /nfs/dbraw/zinc/83/46/82/739834682.db2.gz CXJACZRZSVWSAB-CQSZACIVSA-N 1 3 337.424 -0.362 20 0 EBADHO CC[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2)N(C)C ZINC001069012505 740522815 /nfs/dbraw/zinc/52/28/15/740522815.db2.gz FRBJLRVPOXWHED-KBPBESRZSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN([C@H](C)C(N)=O)C3)C1 ZINC001072913985 741518592 /nfs/dbraw/zinc/51/85/92/741518592.db2.gz PYXBOMGCHPINET-KGLIPLIRSA-N 1 3 338.452 -0.496 20 0 EBADHO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN([C@H](C)C(N)=O)C3)C1 ZINC001072913985 741518593 /nfs/dbraw/zinc/51/85/93/741518593.db2.gz PYXBOMGCHPINET-KGLIPLIRSA-N 1 3 338.452 -0.496 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN([C@H](C)C(N)=O)C2 ZINC001073433592 741613298 /nfs/dbraw/zinc/61/32/98/741613298.db2.gz FEGVSDHNODPYJO-ZIAGYGMSSA-N 1 3 338.452 -0.637 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001076462540 742476506 /nfs/dbraw/zinc/47/65/06/742476506.db2.gz YZYAMMYYOFKCRX-HRCADAONSA-N 1 3 349.479 -0.114 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001076462540 742476507 /nfs/dbraw/zinc/47/65/07/742476507.db2.gz YZYAMMYYOFKCRX-HRCADAONSA-N 1 3 349.479 -0.114 20 0 EBADHO CN(C)C1(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001078411390 743636827 /nfs/dbraw/zinc/63/68/27/743636827.db2.gz LKRLUYAOZYUNTL-KGLIPLIRSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977197496 804205739 /nfs/dbraw/zinc/20/57/39/804205739.db2.gz SUOFIQZFFARBST-LVNYTYFRSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000977197496 804205744 /nfs/dbraw/zinc/20/57/44/804205744.db2.gz SUOFIQZFFARBST-LVNYTYFRSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000977201415 804211500 /nfs/dbraw/zinc/21/15/00/804211500.db2.gz HPFHQZAMGLJIHB-NPCUJANDSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000977201415 804211510 /nfs/dbraw/zinc/21/15/10/804211510.db2.gz HPFHQZAMGLJIHB-NPCUJANDSA-N 1 3 334.464 -0.147 20 0 EBADHO CN(CC(N)=O)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000985694174 807562082 /nfs/dbraw/zinc/56/20/82/807562082.db2.gz ITGSKXANTQTNQV-UHFFFAOYSA-N 1 3 336.440 -0.534 20 0 EBADHO C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534142 807953467 /nfs/dbraw/zinc/95/34/67/807953467.db2.gz UIVNXCUYWRENMH-QWHCGFSZSA-N 1 3 337.424 -0.787 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)CN1CCCC1 ZINC000989800077 808598346 /nfs/dbraw/zinc/59/83/46/808598346.db2.gz PQFAMHAQOWGLKN-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214779862 810281153 /nfs/dbraw/zinc/28/11/53/810281153.db2.gz BFTALAIRLXXXNR-UPJWGTAASA-N 1 3 339.440 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214779862 810281158 /nfs/dbraw/zinc/28/11/58/810281158.db2.gz BFTALAIRLXXXNR-UPJWGTAASA-N 1 3 339.440 -0.508 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001214952544 810295002 /nfs/dbraw/zinc/29/50/02/810295002.db2.gz AIRXCKUYWQGPEI-JHJVBQTASA-N 1 3 334.486 -0.688 20 0 EBADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215778224 810344041 /nfs/dbraw/zinc/34/40/41/810344041.db2.gz DXDBJCOTNRUOOC-DGCLKSJQSA-N 1 3 339.440 -0.650 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001216222341 810363679 /nfs/dbraw/zinc/36/36/79/810363679.db2.gz YXSWYBKZOMYXSG-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001216222341 810363687 /nfs/dbraw/zinc/36/36/87/810363687.db2.gz YXSWYBKZOMYXSG-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400866 810370816 /nfs/dbraw/zinc/37/08/16/810370816.db2.gz BTSIOTBZNXFHHN-QLFBSQMISA-N 1 3 342.484 -0.084 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001216459676 810375094 /nfs/dbraw/zinc/37/50/94/810375094.db2.gz ZHPDFHLOWPLMDY-JHJVBQTASA-N 1 3 341.456 -0.262 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216510996 810375408 /nfs/dbraw/zinc/37/54/08/810375408.db2.gz IEWFZJLECMWUGH-GDBMZVCRSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2COC3(C[NH2+]C3)C2)c1 ZINC001218062692 810474767 /nfs/dbraw/zinc/47/47/67/810474767.db2.gz ORZXGIYPOWNQLS-STQMWFEESA-N 1 3 335.404 -0.140 20 0 EBADHO Cc1nc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC001218619408 810511563 /nfs/dbraw/zinc/51/15/63/810511563.db2.gz GXUVRHVNIBUYBR-OAHLLOKOSA-N 1 3 334.424 -0.113 20 0 EBADHO CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001218734725 810525552 /nfs/dbraw/zinc/52/55/52/810525552.db2.gz KZVGPHAWDPDVRX-AWEZNQCLSA-N 1 3 346.435 -0.186 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218998520 810552676 /nfs/dbraw/zinc/55/26/76/810552676.db2.gz OKEXPIGARXHRSN-JKOKRWQUSA-N 1 3 347.419 -0.591 20 0 EBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1cccc2c1C[NH2+]C2)C(N)=O ZINC001218993269 810553055 /nfs/dbraw/zinc/55/30/55/810553055.db2.gz LWOQQYJXGGIVGL-TVQRCGJNSA-N 1 3 333.392 -0.674 20 0 EBADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@@H]3COC4(CNC4)CN3)cc2)C1 ZINC001219233410 810625515 /nfs/dbraw/zinc/62/55/15/810625515.db2.gz NXJCDTWMLGPXJN-CJNGLKHVSA-N 1 3 345.447 -0.117 20 0 EBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1COC2(CNC2)CN1 ZINC001219538251 810742506 /nfs/dbraw/zinc/74/25/06/810742506.db2.gz WRZGEURSUPMYSW-OSMZGAPFSA-N 1 3 330.388 -0.597 20 0 EBADHO Cn1ccnc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219565497 810752790 /nfs/dbraw/zinc/75/27/90/810752790.db2.gz JNVOZWUMLMQICD-STQMWFEESA-N 1 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CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800441 810846869 /nfs/dbraw/zinc/84/68/69/810846869.db2.gz JYDLXVAAWIVOJE-MJBXVCDLSA-N 1 3 340.468 -0.251 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813389 810858507 /nfs/dbraw/zinc/85/85/07/810858507.db2.gz RUFYBIYUMPRGRA-QCQGSNGOSA-N 1 3 326.441 -0.783 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852781 810879714 /nfs/dbraw/zinc/87/97/14/810879714.db2.gz ZMWVLEUJIRHJGE-XDQVBPFNSA-N 1 3 326.441 -0.783 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104975 810982911 /nfs/dbraw/zinc/98/29/11/810982911.db2.gz QQKQRWRYOXMIDL-ZDUSSCGKSA-N 1 3 336.392 -0.972 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001220216562 811019505 /nfs/dbraw/zinc/01/95/05/811019505.db2.gz OCBWEZKDLMXWFK-OWCLPIDISA-N 1 3 343.468 -0.318 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001220216562 811019514 /nfs/dbraw/zinc/01/95/14/811019514.db2.gz OCBWEZKDLMXWFK-OWCLPIDISA-N 1 3 343.468 -0.318 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319685 811055135 /nfs/dbraw/zinc/05/51/35/811055135.db2.gz IJCFADVKIYGQCG-DZKIICNBSA-N 1 3 326.441 -0.353 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320408 811055363 /nfs/dbraw/zinc/05/53/63/811055363.db2.gz NHFJVEOUUNSNJN-LMRQPLJMSA-N 1 3 326.441 -0.497 20 0 EBADHO Cn1cc(Br)c(CNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001220335822 811059492 /nfs/dbraw/zinc/05/94/92/811059492.db2.gz VCXHZUHQDCYUHZ-QMMMGPOBSA-N 1 3 336.259 -0.182 20 0 EBADHO COCCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387593 811085625 /nfs/dbraw/zinc/08/56/25/811085625.db2.gz MTIXEZHZBHXOEK-XHSDSOJGSA-N 1 3 343.468 -0.315 20 0 EBADHO Cn1c(=O)cc(NC(=O)[C@H](N)CCC[NH3+])n(-c2ccccc2)c1=O ZINC001220413674 811099108 /nfs/dbraw/zinc/09/91/08/811099108.db2.gz NIBJPPMISRIBKY-GFCCVEGCSA-N 1 3 331.376 -0.459 20 0 EBADHO Cn1cc(-c2cc(CNC(=O)[C@@H]3C[NH2+]CC34CNC4)ccn2)cn1 ZINC001220454318 811113162 /nfs/dbraw/zinc/11/31/62/811113162.db2.gz SXITYPMSSKYWSG-AWEZNQCLSA-N 1 3 326.404 -0.093 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001036209618 811119777 /nfs/dbraw/zinc/11/97/77/811119777.db2.gz YMYRIUDVRBPTFO-UKRRQHHQSA-N 1 3 349.435 -0.362 20 0 EBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)Cc2cncn2C)O1 ZINC001220481712 811124206 /nfs/dbraw/zinc/12/42/06/811124206.db2.gz OOWGAUFKBREWIO-JLNYLFASSA-N 1 3 325.413 -0.869 20 0 EBADHO NC(=O)c1ccccc1OCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220719369 811217504 /nfs/dbraw/zinc/21/75/04/811217504.db2.gz YRFNSKQCIXPBIJ-NSHDSACASA-N 1 3 326.422 -0.700 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1=O ZINC001220806090 811248119 /nfs/dbraw/zinc/24/81/19/811248119.db2.gz XSKPMMMZWRSSOP-GARJFASQSA-N 1 3 336.358 -0.017 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1=O ZINC001220806092 811248510 /nfs/dbraw/zinc/24/85/10/811248510.db2.gz XSKPMMMZWRSSOP-VWYCJHECSA-N 1 3 336.358 -0.017 20 0 EBADHO CC[C@H](COC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220865624 811272372 /nfs/dbraw/zinc/27/23/72/811272372.db2.gz FFOMQBKCWMAMDX-RDBSUJKOSA-N 1 3 328.457 -0.025 20 0 EBADHO O=C(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC001220898440 811287424 /nfs/dbraw/zinc/28/74/24/811287424.db2.gz JYGVFBMXOHBKRK-GJZGRUSLSA-N 1 3 338.452 -0.698 20 0 EBADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2COC3(CNC3)CN2)c2ccncn2)CC1 ZINC001220941461 811305075 /nfs/dbraw/zinc/30/50/75/811305075.db2.gz TZRHNGXUKHBGBB-MGPQQGTHSA-N 1 3 346.435 -0.590 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221113779 811383669 /nfs/dbraw/zinc/38/36/69/811383669.db2.gz BBMWQJCZURYLOE-CYBMUJFWSA-N 1 3 348.451 -0.405 20 0 EBADHO COCCC1([NH3+])CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC001221133997 811386189 /nfs/dbraw/zinc/38/61/89/811386189.db2.gz GCZOKZVWVQRSNC-ZDUSSCGKSA-N 1 3 326.441 -0.317 20 0 EBADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001221365913 811446127 /nfs/dbraw/zinc/44/61/27/811446127.db2.gz LCNHRPBPSMVQND-KGLIPLIRSA-N 1 3 333.388 -0.568 20 0 EBADHO O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221408315 811452894 /nfs/dbraw/zinc/45/28/94/811452894.db2.gz IHXCJQCREAPIMD-QWHCGFSZSA-N 1 3 327.450 -0.733 20 0 EBADHO COCCOC[C@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791275 811536524 /nfs/dbraw/zinc/53/65/24/811536524.db2.gz DWEIOUXKFVPWGS-BZUAXINKSA-N 1 3 343.468 -0.505 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CCN(CC(N)=O)CC1 ZINC001225442484 811811043 /nfs/dbraw/zinc/81/10/43/811811043.db2.gz KXBAXLICFLDDLA-ZDUSSCGKSA-N 1 3 326.441 -0.732 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001227057720 811901704 /nfs/dbraw/zinc/90/17/04/811901704.db2.gz ZTSXYTIBCHSGQJ-JHJVBQTASA-N 1 3 341.456 -0.201 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001229212656 812020526 /nfs/dbraw/zinc/02/05/26/812020526.db2.gz AEEZZVXFMXHNPB-YNEHKIRRSA-N 1 3 341.456 -0.071 20 0 EBADHO COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230367335 812109218 /nfs/dbraw/zinc/10/92/18/812109218.db2.gz VTKZWIQVONTYGP-INIZCTEOSA-N 1 3 345.484 -0.069 20 0 EBADHO COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238708391 812530975 /nfs/dbraw/zinc/53/09/75/812530975.db2.gz SPRKRNCXCJSKSE-ZDUSSCGKSA-N 1 3 333.454 -0.553 20 0 EBADHO [NH3+]CCCC[C@H](NC[C@@H](O)CN1CCOCC1)C(=O)N1CCCC1 ZINC001246022369 812560085 /nfs/dbraw/zinc/56/00/85/812560085.db2.gz XSJMWRYBJRUZET-CVEARBPZSA-N 1 3 342.484 -0.611 20 0 EBADHO c1cnn(Cc2nnc3n2CCN([C@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246778223 812587714 /nfs/dbraw/zinc/58/77/14/812587714.db2.gz PIXVEAMHVNEXTF-AWEZNQCLSA-N 1 3 342.451 -0.525 20 0 EBADHO O=C([C@@H]1C[C@H](N2CC[C@@]3(C2)CNCCO3)C[NH2+]1)N1CCSC1 ZINC001246985999 812594448 /nfs/dbraw/zinc/59/44/48/812594448.db2.gz JEKWKJILMUUAGC-YDHLFZDLSA-N 1 3 326.466 -0.686 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC[C@]12CC[NH2+]C2)O3 ZINC001247012945 812595815 /nfs/dbraw/zinc/59/58/15/812595815.db2.gz VJJFWGFQONCRJJ-FQKPHLNHSA-N 1 3 327.450 -0.337 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C1CC2(C1)CCC[NH2+]C2)O3 ZINC001247010077 812596294 /nfs/dbraw/zinc/59/62/94/812596294.db2.gz MRGKZYBTDNRIJP-NSMDVSGXSA-N 1 3 327.450 -0.337 20 0 EBADHO COC(=O)CNC(=O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252948482 812670226 /nfs/dbraw/zinc/67/02/26/812670226.db2.gz PHYYYZOLLPGXEL-KRWDZBQOSA-N 1 3 335.404 -0.498 20 0 EBADHO COC[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261320815 812891282 /nfs/dbraw/zinc/89/12/82/812891282.db2.gz MHPNBZCTRBBWTQ-KRWDZBQOSA-N 1 3 342.484 -0.177 20 0 EBADHO CN1CCN(C[C@H](O)C[NH2+]CC(C)(C)N2CCN(C)CC2)CC1 ZINC001261436601 812905733 /nfs/dbraw/zinc/90/57/33/812905733.db2.gz GJLXDGRNKPQBOD-MRXNPFEDSA-N 1 3 327.517 -0.790 20 0 EBADHO CN1CCN(CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001261454744 812909575 /nfs/dbraw/zinc/90/95/75/812909575.db2.gz QDERWUDMTDYSPO-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001261636118 812957812 /nfs/dbraw/zinc/95/78/12/812957812.db2.gz ZHURMJIXFSSICA-SNPRPXQTSA-N 1 3 336.436 -0.824 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001262075032 813034621 /nfs/dbraw/zinc/03/46/21/813034621.db2.gz ILMMASRNFKGWIL-CABCVRRESA-N 1 3 339.484 -0.532 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC001262543826 813091734 /nfs/dbraw/zinc/09/17/34/813091734.db2.gz MFTBVMAKZQMEOP-HUUCEWRRSA-N 1 3 339.484 -0.817 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001262569308 813096698 /nfs/dbraw/zinc/09/66/98/813096698.db2.gz VESYXHBREIIUNA-DLBZAZTESA-N 1 3 327.517 -0.790 20 0 EBADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001263113217 813107974 /nfs/dbraw/zinc/10/79/74/813107974.db2.gz BUYJHWJSTYALER-TZMCWYRMSA-N 1 3 329.441 -0.406 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081553708 813167940 /nfs/dbraw/zinc/16/79/40/813167940.db2.gz MIWJKVAFMNFKHR-KBPBESRZSA-N 1 3 328.457 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081554075 813169808 /nfs/dbraw/zinc/16/98/08/813169808.db2.gz REAGWNVXNKTRFA-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)CCC1 ZINC001081556367 813174652 /nfs/dbraw/zinc/17/46/52/813174652.db2.gz NLCRDBMSWFIBGT-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081571203 813207146 /nfs/dbraw/zinc/20/71/46/813207146.db2.gz GIXRPYHFUUQIFD-KBPBESRZSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001265494952 813332143 /nfs/dbraw/zinc/33/21/43/813332143.db2.gz XBXIXFURPORPEN-XJKCOSOUSA-N 1 3 338.452 -0.042 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265494856 813332464 /nfs/dbraw/zinc/33/24/64/813332464.db2.gz VNJZUKAFNQCDDU-IHRRRGAJSA-N 1 3 331.482 0.000 20 0 EBADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@@H](C)C(=O)NC(=O)NC ZINC001266108806 813459003 /nfs/dbraw/zinc/45/90/03/813459003.db2.gz GWTBTWSEGAAXND-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@@H](C)C(=O)NC(=O)NC ZINC001266108806 813459007 /nfs/dbraw/zinc/45/90/07/813459007.db2.gz GWTBTWSEGAAXND-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081731935 813485483 /nfs/dbraw/zinc/48/54/83/813485483.db2.gz AKQYGRFVZKXDEP-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001081774393 813542115 /nfs/dbraw/zinc/54/21/15/813542115.db2.gz OJKHMELJFAVUEM-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001081774393 813542117 /nfs/dbraw/zinc/54/21/17/813542117.db2.gz OJKHMELJFAVUEM-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001266598126 813618040 /nfs/dbraw/zinc/61/80/40/813618040.db2.gz MOLLYOZVVVCJLV-JOCQHMNTSA-N 1 3 346.497 -0.353 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266639868 813630330 /nfs/dbraw/zinc/63/03/30/813630330.db2.gz JTVWXKIXZPRKBD-IHRRRGAJSA-N 1 3 346.497 -0.353 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001266706200 813646115 /nfs/dbraw/zinc/64/61/15/813646115.db2.gz GRHQTCWAJFYKKR-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC(=O)NC)CC[N@H+]1C ZINC001266706200 813646119 /nfs/dbraw/zinc/64/61/19/813646119.db2.gz GRHQTCWAJFYKKR-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001266710770 813647973 /nfs/dbraw/zinc/64/79/73/813647973.db2.gz BSEIYJYNNJUKRT-FRRDWIJNSA-N 1 3 334.486 -0.641 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001267009626 813732826 /nfs/dbraw/zinc/73/28/26/813732826.db2.gz NPRYXMDFARKSDS-MELADBBJSA-N 1 3 346.497 -0.544 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001267009626 813732829 /nfs/dbraw/zinc/73/28/29/813732829.db2.gz NPRYXMDFARKSDS-MELADBBJSA-N 1 3 346.497 -0.544 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCCO1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456891 813902563 /nfs/dbraw/zinc/90/25/63/813902563.db2.gz MOHZITWABSULLZ-AWEZNQCLSA-N 1 3 338.452 -0.575 20 0 EBADHO CN(CCNCC(=O)NC(N)=O)C(=O)CCC[NH+]1CCCCC1 ZINC001267470680 813907836 /nfs/dbraw/zinc/90/78/36/813907836.db2.gz LUHGTRXMVXYYLW-UHFFFAOYSA-N 1 3 327.429 -0.505 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267592321 813944662 /nfs/dbraw/zinc/94/46/62/813944662.db2.gz REIJJGQGYALAAE-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267592321 813944667 /nfs/dbraw/zinc/94/46/67/813944667.db2.gz REIJJGQGYALAAE-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267592315 813945561 /nfs/dbraw/zinc/94/55/61/813945561.db2.gz REIJJGQGYALAAE-KBPBESRZSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267592315 813945564 /nfs/dbraw/zinc/94/55/64/813945564.db2.gz REIJJGQGYALAAE-KBPBESRZSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082559555 813967019 /nfs/dbraw/zinc/96/70/19/813967019.db2.gz JBGZGVZDNCGAFA-YUELXQCFSA-N 1 3 337.468 -0.212 20 0 EBADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820204 814048898 /nfs/dbraw/zinc/04/88/98/814048898.db2.gz OMQMIFYOHGYHDW-KBPBESRZSA-N 1 3 338.452 -0.038 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001268551775 814288669 /nfs/dbraw/zinc/28/86/69/814288669.db2.gz FKMJHCOXICSSBI-FGXVQYDJSA-N 1 3 336.436 -0.072 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001268551775 814288676 /nfs/dbraw/zinc/28/86/76/814288676.db2.gz FKMJHCOXICSSBI-FGXVQYDJSA-N 1 3 336.436 -0.072 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614249 814319082 /nfs/dbraw/zinc/31/90/82/814319082.db2.gz UWAOABXGEQTQLD-WGPFEIJOSA-N 1 3 325.413 -0.826 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001268614249 814319089 /nfs/dbraw/zinc/31/90/89/814319089.db2.gz UWAOABXGEQTQLD-WGPFEIJOSA-N 1 3 325.413 -0.826 20 0 EBADHO C[C@@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268731806 814368115 /nfs/dbraw/zinc/36/81/15/814368115.db2.gz QHZDCVDFGUWHSG-YNEHKIRRSA-N 1 3 339.440 -0.685 20 0 EBADHO C[C@@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268731806 814368117 /nfs/dbraw/zinc/36/81/17/814368117.db2.gz QHZDCVDFGUWHSG-YNEHKIRRSA-N 1 3 339.440 -0.685 20 0 EBADHO CN(C)CCN1C[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247650 814593001 /nfs/dbraw/zinc/59/30/01/814593001.db2.gz ICIBAGHSWIQGPB-YOEHRIQHSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)OCC1=O ZINC001269247650 814593007 /nfs/dbraw/zinc/59/30/07/814593007.db2.gz ICIBAGHSWIQGPB-YOEHRIQHSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001269249329 814595893 /nfs/dbraw/zinc/59/58/93/814595893.db2.gz WDRXIJWPCLXGHV-APHBMKBZSA-N 1 3 344.406 -0.399 20 0 EBADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(F)C1=O ZINC001269249329 814595897 /nfs/dbraw/zinc/59/58/97/814595897.db2.gz WDRXIJWPCLXGHV-APHBMKBZSA-N 1 3 344.406 -0.399 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001269970375 815653608 /nfs/dbraw/zinc/65/36/08/815653608.db2.gz CJIBERSTAHILJT-VXGBXAGGSA-N 1 3 343.453 -0.530 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001270165309 815706150 /nfs/dbraw/zinc/70/61/50/815706150.db2.gz KUORALCDBWUXIG-STQMWFEESA-N 1 3 339.440 -0.541 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084054033 815799023 /nfs/dbraw/zinc/79/90/23/815799023.db2.gz UCPGIOQEUGHBPO-OAGGEKHMSA-N 1 3 325.453 -0.084 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084054033 815799029 /nfs/dbraw/zinc/79/90/29/815799029.db2.gz UCPGIOQEUGHBPO-OAGGEKHMSA-N 1 3 325.453 -0.084 20 0 EBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517610 815804418 /nfs/dbraw/zinc/80/44/18/815804418.db2.gz RTYIVROAUYGDLT-ZIAGYGMSSA-N 1 3 325.457 -0.305 20 0 EBADHO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270985765 815944390 /nfs/dbraw/zinc/94/43/90/815944390.db2.gz IFMCGASDVTWSGM-CYBMUJFWSA-N 1 3 325.457 -0.068 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085093246 816021908 /nfs/dbraw/zinc/02/19/08/816021908.db2.gz OQRDWPGMFZUQKF-OAGGEKHMSA-N 1 3 349.479 -0.114 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085093246 816021915 /nfs/dbraw/zinc/02/19/15/816021915.db2.gz OQRDWPGMFZUQKF-OAGGEKHMSA-N 1 3 349.479 -0.114 20 0 EBADHO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086153213 816249688 /nfs/dbraw/zinc/24/96/88/816249688.db2.gz YTCDLSGPKLKELD-LMRKWSMVSA-N 1 3 348.447 -0.778 20 0 EBADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431922 816332954 /nfs/dbraw/zinc/33/29/54/816332954.db2.gz GZANVVRYXUFKOP-SDDMYYEOSA-N 1 3 336.436 -0.792 20 0 EBADHO CC(C)NC(=O)CNCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272169321 816336970 /nfs/dbraw/zinc/33/69/70/816336970.db2.gz SGOOBDXYTSIIAQ-OAHLLOKOSA-N 1 3 340.468 -0.737 20 0 EBADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)CN1C)C2 ZINC001272273537 816380312 /nfs/dbraw/zinc/38/03/12/816380312.db2.gz PNBRBMFXXHRRPE-XYJFISCASA-N 1 3 338.496 -0.073 20 0 EBADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)CN1C)C2 ZINC001272273537 816380317 /nfs/dbraw/zinc/38/03/17/816380317.db2.gz PNBRBMFXXHRRPE-XYJFISCASA-N 1 3 338.496 -0.073 20 0 EBADHO CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001272273537 816380325 /nfs/dbraw/zinc/38/03/25/816380325.db2.gz PNBRBMFXXHRRPE-XYJFISCASA-N 1 3 338.496 -0.073 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086997039 816440029 /nfs/dbraw/zinc/44/00/29/816440029.db2.gz IAQNRKZYTCXRCG-CWRNSKLLSA-N 1 3 335.452 -0.362 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001087256695 816485053 /nfs/dbraw/zinc/48/50/53/816485053.db2.gz GBVYVBCUMZGPQS-QWHCGFSZSA-N 1 3 335.408 -0.229 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001087256695 816485058 /nfs/dbraw/zinc/48/50/58/816485058.db2.gz GBVYVBCUMZGPQS-QWHCGFSZSA-N 1 3 335.408 -0.229 20 0 EBADHO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001273019315 816568249 /nfs/dbraw/zinc/56/82/49/816568249.db2.gz VHJCJMIAEZIWBY-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CCNCCN1CCCS1(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273752347 816749845 /nfs/dbraw/zinc/74/98/45/816749845.db2.gz IRXAVAHEENEIME-AWEZNQCLSA-N 1 3 346.497 -0.588 20 0 EBADHO CCN(CCNCCN1CCCS1(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273752347 816749853 /nfs/dbraw/zinc/74/98/53/816749853.db2.gz IRXAVAHEENEIME-AWEZNQCLSA-N 1 3 346.497 -0.588 20 0 EBADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@H]1COCCO1)C2 ZINC001273773617 816755633 /nfs/dbraw/zinc/75/56/33/816755633.db2.gz HQBNSJHVNHSIGL-RDJZCZTQSA-N 1 3 341.452 -0.486 20 0 EBADHO COC(=O)CCN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273966278 816824966 /nfs/dbraw/zinc/82/49/66/816824966.db2.gz RMVBLIFCTNWLGL-INIZCTEOSA-N 1 3 327.425 -0.338 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001274543227 816997539 /nfs/dbraw/zinc/99/75/39/816997539.db2.gz HCTDPIFZRWVZSF-CQSZACIVSA-N 1 3 336.440 -0.685 20 0 EBADHO CCOC[C@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564419 817008278 /nfs/dbraw/zinc/00/82/78/817008278.db2.gz FITSYXLRZVRKTI-GDBMZVCRSA-N 1 3 329.441 -0.751 20 0 EBADHO COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001274980188 817135872 /nfs/dbraw/zinc/13/58/72/817135872.db2.gz GSPHLNCPJMRDRM-KBPBESRZSA-N 1 3 338.452 -0.767 20 0 EBADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001274980188 817135876 /nfs/dbraw/zinc/13/58/76/817135876.db2.gz GSPHLNCPJMRDRM-KBPBESRZSA-N 1 3 338.452 -0.767 20 0 EBADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001274980188 817135881 /nfs/dbraw/zinc/13/58/81/817135881.db2.gz GSPHLNCPJMRDRM-KBPBESRZSA-N 1 3 338.452 -0.767 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)cn1 ZINC001090637216 817602185 /nfs/dbraw/zinc/60/21/85/817602185.db2.gz IUQFIBQGWGGNAS-CABCVRRESA-N 1 3 341.431 -0.031 20 0 EBADHO COCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001277823636 817641290 /nfs/dbraw/zinc/64/12/90/817641290.db2.gz NNZIEUCGQXMDHI-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COC(=O)CCN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277872098 817650190 /nfs/dbraw/zinc/65/01/90/817650190.db2.gz PTYXUYRBDRENPV-KRWDZBQOSA-N 1 3 340.468 -0.232 20 0 EBADHO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090814179 817770270 /nfs/dbraw/zinc/77/02/70/817770270.db2.gz JHPKNLMVNRYQQN-HUUCEWRRSA-N 1 3 338.452 -0.744 20 0 EBADHO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090814179 817770279 /nfs/dbraw/zinc/77/02/79/817770279.db2.gz JHPKNLMVNRYQQN-HUUCEWRRSA-N 1 3 338.452 -0.744 20 0 EBADHO Cn1cc(CC[NH2+]CC2(O)CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC001281603405 818231563 /nfs/dbraw/zinc/23/15/63/818231563.db2.gz MJCSSNAGQNFQRG-MRXNPFEDSA-N 1 3 349.479 0.000 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001283881540 819017200 /nfs/dbraw/zinc/01/72/00/819017200.db2.gz NLKFDQUAFPBZCB-OCCSQVGLSA-N 1 3 346.497 -0.401 20 0 EBADHO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001098392788 819167717 /nfs/dbraw/zinc/16/77/17/819167717.db2.gz YSUCYPDEDQXITE-CJNGLKHVSA-N 1 3 327.469 -0.007 20 0 EBADHO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001098392788 819167722 /nfs/dbraw/zinc/16/77/22/819167722.db2.gz YSUCYPDEDQXITE-CJNGLKHVSA-N 1 3 327.469 -0.007 20 0 EBADHO C[NH+](C)CCCC(=O)N1C[C@@H](N[C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313854 819180531 /nfs/dbraw/zinc/18/05/31/819180531.db2.gz TXIMXKRDJFIWOJ-QWHCGFSZSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001284854503 819373780 /nfs/dbraw/zinc/37/37/80/819373780.db2.gz HNGWCFJMEXCUFQ-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CNC(=O)[C@@H](C)NCCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284869639 819381658 /nfs/dbraw/zinc/38/16/58/819381658.db2.gz YYHAXOMOGPRYGT-HIFRSBDPSA-N 1 3 340.468 -0.473 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)CCOCC[NH2+][C@H]1CCNC1=O ZINC001284878791 819387163 /nfs/dbraw/zinc/38/71/63/819387163.db2.gz VGUSKVADZBQXDJ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CCOCC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001284878885 819387353 /nfs/dbraw/zinc/38/73/53/819387353.db2.gz XFUQETBEMHXMNP-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001100076849 820172317 /nfs/dbraw/zinc/17/23/17/820172317.db2.gz SOPRWCSYBBXHAF-CVEARBPZSA-N 1 3 343.468 -0.315 20 0 EBADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001100404687 820405691 /nfs/dbraw/zinc/40/56/91/820405691.db2.gz OMVSKCBRKKCLTP-UHFFFAOYSA-N 1 3 346.497 -0.496 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001100426302 820417451 /nfs/dbraw/zinc/41/74/51/820417451.db2.gz AGRSGTZVBCEENS-XIVSLSHWSA-N 1 3 327.429 -0.748 20 0 EBADHO C[NH+](C)CCC(=O)NCC1CC(NCC(=O)Nc2nncs2)C1 ZINC001100637233 820496761 /nfs/dbraw/zinc/49/67/61/820496761.db2.gz IMWIKBTVGBHSPJ-UHFFFAOYSA-N 1 3 340.453 -0.087 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100677097 820507467 /nfs/dbraw/zinc/50/74/67/820507467.db2.gz YKCJCQMUPUHVSX-VOMCLLRMSA-N 1 3 325.413 -0.850 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001100678739 820508821 /nfs/dbraw/zinc/50/88/21/820508821.db2.gz VPJMUSZZCDVDFX-WLYUNCDWSA-N 1 3 337.468 -0.162 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678717 820509296 /nfs/dbraw/zinc/50/92/96/820509296.db2.gz VAQXXKZDDSCXEA-HIFPTAJRSA-N 1 3 339.440 -0.732 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001100685474 820511140 /nfs/dbraw/zinc/51/11/40/820511140.db2.gz HVWFFSVTLAIGLN-RUXDESIVSA-N 1 3 338.452 -0.040 20 0 EBADHO CN(CC(=O)NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016289 821973760 /nfs/dbraw/zinc/97/37/60/821973760.db2.gz LIZZSRPXWIXMSM-KBPBESRZSA-N 1 3 336.436 -0.240 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001317119724 822008689 /nfs/dbraw/zinc/00/86/89/822008689.db2.gz XBXIXFURPORPEN-DVOMOZLQSA-N 1 3 338.452 -0.042 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001317344696 822088768 /nfs/dbraw/zinc/08/87/68/822088768.db2.gz UBYMXGBWORCJTG-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106249256 822237744 /nfs/dbraw/zinc/23/77/44/822237744.db2.gz DSLBRVHQGVOCRB-MPKXVKKWSA-N 1 3 339.440 -0.794 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132290 828420078 /nfs/dbraw/zinc/42/00/78/828420078.db2.gz BXVOXBVIFNMZOM-GDBMZVCRSA-N 1 3 347.463 -0.190 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132290 828420081 /nfs/dbraw/zinc/42/00/81/828420081.db2.gz BXVOXBVIFNMZOM-GDBMZVCRSA-N 1 3 347.463 -0.190 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001128539491 828472337 /nfs/dbraw/zinc/47/23/37/828472337.db2.gz FSBJBXSVXOMLAH-LBPRGKRZSA-N 1 3 325.450 -0.193 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128551727 828474183 /nfs/dbraw/zinc/47/41/83/828474183.db2.gz GFFVSXGEUMAMAU-LBPRGKRZSA-N 1 3 330.404 -0.479 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001128787255 828526551 /nfs/dbraw/zinc/52/65/51/828526551.db2.gz XWGKVDYLEVNIDE-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001128787255 828526553 /nfs/dbraw/zinc/52/65/53/828526553.db2.gz XWGKVDYLEVNIDE-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001107040505 823720197 /nfs/dbraw/zinc/72/01/97/823720197.db2.gz HOXQVIBGEISLLU-MGPQQGTHSA-N 1 3 338.452 -0.184 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329653 828598508 /nfs/dbraw/zinc/59/85/08/828598508.db2.gz ZDAFTTXSXHIRFM-QWHCGFSZSA-N 1 3 341.456 -0.486 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329653 828598516 /nfs/dbraw/zinc/59/85/16/828598516.db2.gz ZDAFTTXSXHIRFM-QWHCGFSZSA-N 1 3 341.456 -0.486 20 0 EBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362971 828604433 /nfs/dbraw/zinc/60/44/33/828604433.db2.gz CTTPUNDMXYMQPD-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362971 828604438 /nfs/dbraw/zinc/60/44/38/828604438.db2.gz CTTPUNDMXYMQPD-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC(=O)NC1CC1 ZINC001129363501 828604749 /nfs/dbraw/zinc/60/47/49/828604749.db2.gz HWXGPJPRNXVYGR-NSHDSACASA-N 1 3 339.440 -0.447 20 0 EBADHO CC(C)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385054 828609769 /nfs/dbraw/zinc/60/97/69/828609769.db2.gz DVJQFPCUBZHXOB-CABCVRRESA-N 1 3 338.456 -0.146 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001129423540 828615332 /nfs/dbraw/zinc/61/53/32/828615332.db2.gz URPHCKPKBCTBJB-RYUDHWBXSA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001129423540 828615337 /nfs/dbraw/zinc/61/53/37/828615337.db2.gz URPHCKPKBCTBJB-RYUDHWBXSA-N 1 3 327.429 -0.462 20 0 EBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532144 828630951 /nfs/dbraw/zinc/63/09/51/828630951.db2.gz SBHMTHVAAGTYHA-ZFWWWQNUSA-N 1 3 331.457 -0.411 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129918520 828693877 /nfs/dbraw/zinc/69/38/77/828693877.db2.gz BOKPWTHVMAUHTE-KGLIPLIRSA-N 1 3 338.456 -0.268 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001129950525 828699780 /nfs/dbraw/zinc/69/97/80/828699780.db2.gz WBSWINYMNBTIAZ-AAEUAGOBSA-N 1 3 341.456 -0.345 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617296 832994630 /nfs/dbraw/zinc/99/46/30/832994630.db2.gz DHVPGOMXAHZMNO-AAEUAGOBSA-N 1 3 328.438 -0.034 20 0 EBADHO C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001114404811 826235995 /nfs/dbraw/zinc/23/59/95/826235995.db2.gz HSOAEJABYSIQNX-ABFRBSLYSA-N 1 3 334.464 -0.005 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929178 833026346 /nfs/dbraw/zinc/02/63/46/833026346.db2.gz GGHZSNPCVVBJKI-RYUDHWBXSA-N 1 3 337.424 -0.883 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983061 833031318 /nfs/dbraw/zinc/03/13/18/833031318.db2.gz KGJOUNWAEHKKNS-WOPDTQHZSA-N 1 3 327.429 -0.509 20 0 EBADHO CCS(=O)(=O)NCCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778731 826340465 /nfs/dbraw/zinc/34/04/65/826340465.db2.gz QJPBBMOMMMEQSP-NHAGDIPZSA-N 1 3 346.497 -0.686 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115001099 826397096 /nfs/dbraw/zinc/39/70/96/826397096.db2.gz RWZHTMDDWJMAFL-LJIGWXMPSA-N 1 3 335.452 -0.368 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115001099 826397100 /nfs/dbraw/zinc/39/71/00/826397100.db2.gz RWZHTMDDWJMAFL-LJIGWXMPSA-N 1 3 335.452 -0.368 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1)N(C)C ZINC001115592046 826560262 /nfs/dbraw/zinc/56/02/62/826560262.db2.gz QDFNYIFXSNQVJQ-GFCCVEGCSA-N 1 3 341.456 -0.070 20 0 EBADHO COC1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001117859120 826812362 /nfs/dbraw/zinc/81/23/62/826812362.db2.gz WAUFOCPANMKULE-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001119365246 827102624 /nfs/dbraw/zinc/10/26/24/827102624.db2.gz LQNKPEYSOJIKEZ-ZDUSSCGKSA-N 1 3 326.441 -0.401 20 0 EBADHO CN(C)C[C@H]1NC(=O)N(C2CC[NH+](CCC(=O)N(C)C)CC2)C1=O ZINC001119631117 827127249 /nfs/dbraw/zinc/12/72/49/827127249.db2.gz OEZNEIWJXRUKEC-CYBMUJFWSA-N 1 3 339.440 -0.589 20 0 EBADHO CN1CCN(CCCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC001120395199 827207199 /nfs/dbraw/zinc/20/71/99/827207199.db2.gz ZIPMTVKQYCGUIM-UHFFFAOYSA-N 1 3 333.436 -0.163 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120448520 827225729 /nfs/dbraw/zinc/22/57/29/827225729.db2.gz BITIEHICOQMOQH-GJZGRUSLSA-N 1 3 340.468 -0.247 20 0 EBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670215 833251837 /nfs/dbraw/zinc/25/18/37/833251837.db2.gz KJRZFNUORNCCGJ-CYBMUJFWSA-N 1 3 336.440 -0.663 20 0 EBADHO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866621 827969784 /nfs/dbraw/zinc/96/97/84/827969784.db2.gz HHNOJKSGTSNQPN-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001183040373 833278159 /nfs/dbraw/zinc/27/81/59/833278159.db2.gz QXICXKLGHRWMIC-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001183040373 833278160 /nfs/dbraw/zinc/27/81/60/833278160.db2.gz QXICXKLGHRWMIC-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001183582389 833296151 /nfs/dbraw/zinc/29/61/51/833296151.db2.gz XJVOJNAVWAHKPR-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001183764773 833305648 /nfs/dbraw/zinc/30/56/48/833305648.db2.gz HQBHGOPYSXANEW-NWDGAFQWSA-N 1 3 341.456 -0.249 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001183764773 833305651 /nfs/dbraw/zinc/30/56/51/833305651.db2.gz HQBHGOPYSXANEW-NWDGAFQWSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001127082545 828249647 /nfs/dbraw/zinc/24/96/47/828249647.db2.gz UKLQJLOUEVKQAZ-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001127082545 828249649 /nfs/dbraw/zinc/24/96/49/828249649.db2.gz UKLQJLOUEVKQAZ-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322714 828278975 /nfs/dbraw/zinc/27/89/75/828278975.db2.gz USVACGZBKGAVIV-HNNXBMFYSA-N 1 3 345.484 -0.019 20 0 EBADHO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127339081 828281178 /nfs/dbraw/zinc/28/11/78/828281178.db2.gz PXIDPUULAAOPBO-GFCCVEGCSA-N 1 3 339.440 -0.458 20 0 EBADHO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127339081 828281183 /nfs/dbraw/zinc/28/11/83/828281183.db2.gz PXIDPUULAAOPBO-GFCCVEGCSA-N 1 3 339.440 -0.458 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466628 828296430 /nfs/dbraw/zinc/29/64/30/828296430.db2.gz VQZDRXGRMHHORN-DZGCQCFKSA-N 1 3 340.468 -0.425 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)NC1CC1 ZINC001127475788 828297904 /nfs/dbraw/zinc/29/79/04/828297904.db2.gz YYTYIXLDNJRUKH-ZDUSSCGKSA-N 1 3 337.424 -0.978 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127563017 828304393 /nfs/dbraw/zinc/30/43/93/828304393.db2.gz SJVFSOULKNCXCE-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NCCNCC(=O)NC(C)(C)C)n1 ZINC001127576235 828305260 /nfs/dbraw/zinc/30/52/60/828305260.db2.gz LZUNULIKSZRSIR-UHFFFAOYSA-N 1 3 338.456 -0.321 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001127644084 828309265 /nfs/dbraw/zinc/30/92/65/828309265.db2.gz UGCHVBRTMYACAI-BFHYXJOUSA-N 1 3 326.441 -0.720 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)CC[N@H+]1C ZINC001127644084 828309273 /nfs/dbraw/zinc/30/92/73/828309273.db2.gz UGCHVBRTMYACAI-BFHYXJOUSA-N 1 3 326.441 -0.720 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001127690983 828314655 /nfs/dbraw/zinc/31/46/55/828314655.db2.gz VKSBBOSTRRJOQE-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001127690983 828314663 /nfs/dbraw/zinc/31/46/63/828314663.db2.gz VKSBBOSTRRJOQE-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC001127778486 828324968 /nfs/dbraw/zinc/32/49/68/828324968.db2.gz GAUFUIBFELDOIP-CABCVRRESA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC001127778486 828324978 /nfs/dbraw/zinc/32/49/78/828324978.db2.gz GAUFUIBFELDOIP-CABCVRRESA-N 1 3 338.452 -0.432 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130709180 828919324 /nfs/dbraw/zinc/91/93/24/828919324.db2.gz WJGDORAWSNMMTM-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130709180 828919329 /nfs/dbraw/zinc/91/93/29/828919329.db2.gz WJGDORAWSNMMTM-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001130709154 828919653 /nfs/dbraw/zinc/91/96/53/828919653.db2.gz VSZDOCFYELPPTK-CYBMUJFWSA-N 1 3 334.486 -0.638 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001130709154 828919656 /nfs/dbraw/zinc/91/96/56/828919656.db2.gz VSZDOCFYELPPTK-CYBMUJFWSA-N 1 3 334.486 -0.638 20 0 EBADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)CS(C)(=O)=O ZINC001184878006 833342857 /nfs/dbraw/zinc/34/28/57/833342857.db2.gz XIKBGDCEUOXWEP-MGPQQGTHSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001185212732 833350078 /nfs/dbraw/zinc/35/00/78/833350078.db2.gz AKBSWMUGDYVSTF-GHMZBOCLSA-N 1 3 325.413 -0.898 20 0 EBADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001185266802 833353691 /nfs/dbraw/zinc/35/36/91/833353691.db2.gz GQOJWBGMCFUAIE-RBSFLKMASA-N 1 3 339.484 -0.663 20 0 EBADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185266802 833353694 /nfs/dbraw/zinc/35/36/94/833353694.db2.gz GQOJWBGMCFUAIE-RBSFLKMASA-N 1 3 339.484 -0.663 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185456046 833359059 /nfs/dbraw/zinc/35/90/59/833359059.db2.gz YFUKDPNOJOZAAK-JHJVBQTASA-N 1 3 341.456 -0.393 20 0 EBADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001185676327 833366433 /nfs/dbraw/zinc/36/64/33/833366433.db2.gz UVQLCHUDSYFOFO-CYBMUJFWSA-N 1 3 346.497 -0.542 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001185715370 833368095 /nfs/dbraw/zinc/36/80/95/833368095.db2.gz CLDUGMCUANAFAE-OLZOCXBDSA-N 1 3 334.486 -0.592 20 0 EBADHO O=C(NCC[NH2+]CCOCC(F)F)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520465 829152271 /nfs/dbraw/zinc/15/22/71/829152271.db2.gz YPMZSASFUTZJKO-MQYJIDSJSA-N 1 3 333.379 -0.163 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CCN(CCO)C2)O1 ZINC001131694099 829188579 /nfs/dbraw/zinc/18/85/79/829188579.db2.gz UHCIRBJYCKYTJL-ZBFHGGJFSA-N 1 3 329.441 -0.751 20 0 EBADHO O=C(CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)N1CCOCC1 ZINC001131790424 829217563 /nfs/dbraw/zinc/21/75/63/829217563.db2.gz NFWOCRQAMYGMCL-MRXNPFEDSA-N 1 3 338.452 -0.575 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001186496818 833403515 /nfs/dbraw/zinc/40/35/15/833403515.db2.gz RPVGHHWLBOHEDA-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H]([NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2)C(N)=O ZINC001186514357 833404372 /nfs/dbraw/zinc/40/43/72/833404372.db2.gz ZBLXVDBWVSBOGZ-STQMWFEESA-N 1 3 349.435 -0.329 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186560650 833406011 /nfs/dbraw/zinc/40/60/11/833406011.db2.gz CESNLBDICNFOEZ-AWEZNQCLSA-N 1 3 340.468 -0.343 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001132893622 829545699 /nfs/dbraw/zinc/54/56/99/829545699.db2.gz WEFXJPBKERZWKV-KKUMJFAQSA-N 1 3 340.468 -0.425 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC[N@H+]1C ZINC001132893622 829545703 /nfs/dbraw/zinc/54/57/03/829545703.db2.gz WEFXJPBKERZWKV-KKUMJFAQSA-N 1 3 340.468 -0.425 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893026 829545760 /nfs/dbraw/zinc/54/57/60/829545760.db2.gz HHELAFUROSSYGT-TUAOUCFPSA-N 1 3 327.429 -0.733 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893026 829545765 /nfs/dbraw/zinc/54/57/65/829545765.db2.gz HHELAFUROSSYGT-TUAOUCFPSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133135827 829591305 /nfs/dbraw/zinc/59/13/05/829591305.db2.gz XSODDOLMAIYXMS-QWRGUYRKSA-N 1 3 336.396 -0.779 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291071 829616317 /nfs/dbraw/zinc/61/63/17/829616317.db2.gz JGYWHFIRUMCLBC-LBPRGKRZSA-N 1 3 329.445 -0.486 20 0 EBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001133296890 829617659 /nfs/dbraw/zinc/61/76/59/829617659.db2.gz DBQOOQYYVMLQHJ-LLVKDONJSA-N 1 3 329.445 -0.343 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 ZINC001186824643 833432119 /nfs/dbraw/zinc/43/21/19/833432119.db2.gz CXTKCJBWENXRAH-CYBMUJFWSA-N 1 3 334.486 -0.590 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 ZINC001186824643 833432120 /nfs/dbraw/zinc/43/21/20/833432120.db2.gz CXTKCJBWENXRAH-CYBMUJFWSA-N 1 3 334.486 -0.590 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834446 829681866 /nfs/dbraw/zinc/68/18/66/829681866.db2.gz YDGWKXAJKXTLCP-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834446 829681870 /nfs/dbraw/zinc/68/18/70/829681870.db2.gz YDGWKXAJKXTLCP-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846213 829684773 /nfs/dbraw/zinc/68/47/73/829684773.db2.gz WFXDOCZJPFXPNM-CQSZACIVSA-N 1 3 349.497 -0.515 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001133849714 829686975 /nfs/dbraw/zinc/68/69/75/829686975.db2.gz CKNHQYMOCDCUKJ-KBPBESRZSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001133849714 829686979 /nfs/dbraw/zinc/68/69/79/829686979.db2.gz CKNHQYMOCDCUKJ-KBPBESRZSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856809 829688347 /nfs/dbraw/zinc/68/83/47/829688347.db2.gz RQLXPUVXNYKVNB-MEBBXXQBSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856809 829688350 /nfs/dbraw/zinc/68/83/50/829688350.db2.gz RQLXPUVXNYKVNB-MEBBXXQBSA-N 1 3 345.419 -0.512 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133897074 829694848 /nfs/dbraw/zinc/69/48/48/829694848.db2.gz XWNGKFKEDJOZRF-CQSZACIVSA-N 1 3 331.457 -0.552 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)CC(C)(C)C ZINC001133908451 829697499 /nfs/dbraw/zinc/69/74/99/829697499.db2.gz RQCGFYVTRQVBAZ-UHFFFAOYSA-N 1 3 341.456 -0.388 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)N(C)C ZINC001133965610 829707258 /nfs/dbraw/zinc/70/72/58/829707258.db2.gz AYOATRFPCVEVHI-ZFWWWQNUSA-N 1 3 331.457 -0.411 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)N(C)C ZINC001133968575 829708216 /nfs/dbraw/zinc/70/82/16/829708216.db2.gz ZMILSGZVAWXZAP-NEPJUHHUSA-N 1 3 329.445 -0.345 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020834 829713019 /nfs/dbraw/zinc/71/30/19/829713019.db2.gz IGRZGNMWXMQKIH-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001134021104 829713301 /nfs/dbraw/zinc/71/33/01/829713301.db2.gz RHQHKHRLNDHNRP-KBPBESRZSA-N 1 3 340.468 -0.140 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611728 829803980 /nfs/dbraw/zinc/80/39/80/829803980.db2.gz AWTQRIYPBAHNHB-RYUDHWBXSA-N 1 3 341.456 -0.201 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC1 ZINC001134782493 829844689 /nfs/dbraw/zinc/84/46/89/829844689.db2.gz HWDYQMGABRKYII-OAHLLOKOSA-N 1 3 340.468 -0.423 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114626 829899456 /nfs/dbraw/zinc/89/94/56/829899456.db2.gz KOTBBQBPIRJERP-UHFFFAOYSA-N 1 3 338.456 -0.369 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135477831 829974635 /nfs/dbraw/zinc/97/46/35/829974635.db2.gz QKZHLLRXYAQTLE-AWEZNQCLSA-N 1 3 343.472 -0.096 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001135513712 829979703 /nfs/dbraw/zinc/97/97/03/829979703.db2.gz VNPUDUPQLGNPPD-HUUCEWRRSA-N 1 3 331.457 -0.410 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958573 830051973 /nfs/dbraw/zinc/05/19/73/830051973.db2.gz DBWWIJCAFYTQRA-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001211286055 837421511 /nfs/dbraw/zinc/42/15/11/837421511.db2.gz SFZIXZPQYWDIMY-VXGBXAGGSA-N 1 3 327.429 -0.509 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286431 837421873 /nfs/dbraw/zinc/42/18/73/837421873.db2.gz UIJFWTZTBQXWNS-AWEZNQCLSA-N 1 3 348.513 -0.154 20 0 EBADHO CN(CC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1)C(N)=[NH2+] ZINC001144143588 830160663 /nfs/dbraw/zinc/16/06/63/830160663.db2.gz UEQZWUUNKWTYLI-UHFFFAOYSA-N 1 3 338.456 -0.595 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877584 830425352 /nfs/dbraw/zinc/42/53/52/830425352.db2.gz MFMRUTDBRTXJIG-RYUDHWBXSA-N 1 3 327.429 -0.732 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877584 830425354 /nfs/dbraw/zinc/42/53/54/830425354.db2.gz MFMRUTDBRTXJIG-RYUDHWBXSA-N 1 3 327.429 -0.732 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001147900765 830428708 /nfs/dbraw/zinc/42/87/08/830428708.db2.gz VOYAUKKMUVGLBB-KBPBESRZSA-N 1 3 326.441 -0.813 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001147900765 830428711 /nfs/dbraw/zinc/42/87/11/830428711.db2.gz VOYAUKKMUVGLBB-KBPBESRZSA-N 1 3 326.441 -0.813 20 0 EBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NCc1cccnc1 ZINC001147970245 830433031 /nfs/dbraw/zinc/43/30/31/830433031.db2.gz CZAVHNWOMDETFV-UHFFFAOYSA-N 1 3 331.420 -0.501 20 0 EBADHO CN(C)c1ccncc1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001148051197 830444429 /nfs/dbraw/zinc/44/44/29/830444429.db2.gz BUBCSVQSLXWVHZ-UHFFFAOYSA-N 1 3 343.391 -0.104 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001148642701 830522386 /nfs/dbraw/zinc/52/23/86/830522386.db2.gz LPPUSIJMYPTXFR-NSHDSACASA-N 1 3 329.363 -0.026 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001148655846 830524706 /nfs/dbraw/zinc/52/47/06/830524706.db2.gz SSBPOYANURRULX-LSDHHAIUSA-N 1 3 331.457 -0.410 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001150350777 830871524 /nfs/dbraw/zinc/87/15/24/830871524.db2.gz OHPCEENIWBOSNC-KKUMJFAQSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001150350777 830871530 /nfs/dbraw/zinc/87/15/30/830871530.db2.gz OHPCEENIWBOSNC-KKUMJFAQSA-N 1 3 331.457 -0.459 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001150478825 830912924 /nfs/dbraw/zinc/91/29/24/830912924.db2.gz AFSNSXBLINOANS-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCCO1 ZINC001150478825 830912926 /nfs/dbraw/zinc/91/29/26/830912926.db2.gz AFSNSXBLINOANS-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508050 830919426 /nfs/dbraw/zinc/91/94/26/830919426.db2.gz NJYJVKJUFIIZRY-ZBFHGGJFSA-N 1 3 343.468 -0.315 20 0 EBADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150625060 830947911 /nfs/dbraw/zinc/94/79/11/830947911.db2.gz IEEZYEVIBHEUME-HOTGVXAUSA-N 1 3 345.484 -0.067 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150625060 830947913 /nfs/dbraw/zinc/94/79/13/830947913.db2.gz IEEZYEVIBHEUME-HOTGVXAUSA-N 1 3 345.484 -0.067 20 0 EBADHO CC(C)CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074081 831022754 /nfs/dbraw/zinc/02/27/54/831022754.db2.gz VARAWUTXLRRSQO-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO CC(C)CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074081 831022763 /nfs/dbraw/zinc/02/27/63/831022763.db2.gz VARAWUTXLRRSQO-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO COc1nccc(CNCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001151159862 831036305 /nfs/dbraw/zinc/03/63/05/831036305.db2.gz UTEOWHGMLYGGOY-ZDUSSCGKSA-N 1 3 337.424 -0.341 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361647 831060893 /nfs/dbraw/zinc/06/08/93/831060893.db2.gz LMHBGVZUROXASM-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001152148467 831134358 /nfs/dbraw/zinc/13/43/58/831134358.db2.gz QDMDJXZQUNOAMZ-OKILXGFUSA-N 1 3 348.513 -0.106 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152223995 831143863 /nfs/dbraw/zinc/14/38/63/831143863.db2.gz QBPREMHBKQHMHO-UHFFFAOYSA-N 1 3 327.429 -0.586 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001152340307 831154090 /nfs/dbraw/zinc/15/40/90/831154090.db2.gz LDPLGAQNSVRXBJ-OAHLLOKOSA-N 1 3 340.468 -0.137 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152348939 831154520 /nfs/dbraw/zinc/15/45/20/831154520.db2.gz SYNFBWZEQANKNC-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152452060 831164318 /nfs/dbraw/zinc/16/43/18/831164318.db2.gz RKWWTYVBFFRSDN-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001152445898 831164326 /nfs/dbraw/zinc/16/43/26/831164326.db2.gz QRQZVMPOQMVFEI-GJZGRUSLSA-N 1 3 331.457 -0.411 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cc4c(nn3)CCNC4)C[C@H]1C2 ZINC001154632109 831356005 /nfs/dbraw/zinc/35/60/05/831356005.db2.gz ANWNCTXYQSKJOK-NPSOMJIGSA-N 1 3 343.431 -0.043 20 0 EBADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001157843471 831597566 /nfs/dbraw/zinc/59/75/66/831597566.db2.gz RFDVYUVPVHJCDC-MJBXVCDLSA-N 1 3 348.451 -0.100 20 0 EBADHO O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327501 831647315 /nfs/dbraw/zinc/64/73/15/831647315.db2.gz JZIZTELCRUGGEF-SQWLQELKSA-N 1 3 326.400 -0.438 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158486663 831659991 /nfs/dbraw/zinc/65/99/91/831659991.db2.gz QLLDWMVESXXLDT-GJZGRUSLSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158486663 831659993 /nfs/dbraw/zinc/65/99/93/831659993.db2.gz QLLDWMVESXXLDT-GJZGRUSLSA-N 1 3 349.435 -0.056 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158544367 831663825 /nfs/dbraw/zinc/66/38/25/831663825.db2.gz DTHNZRIWQKUIQK-UOZBHZCFSA-N 1 3 338.452 -0.545 20 0 EBADHO O=C([C@H]1CNCc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534837 831664137 /nfs/dbraw/zinc/66/41/37/831664137.db2.gz UPUJKCJKEGSTOH-YOKBYHGQSA-N 1 3 331.420 -0.418 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1=O ZINC001158547819 831664367 /nfs/dbraw/zinc/66/43/67/831664367.db2.gz PIVFGMGFTJOFCG-VWPFQQQWSA-N 1 3 336.436 -0.694 20 0 EBADHO O=C([C@@H]1CNCCN1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903244 831694824 /nfs/dbraw/zinc/69/48/24/831694824.db2.gz MWUBIFAMDJWUAM-IFIJOSMWSA-N 1 3 349.410 -0.364 20 0 EBADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001159085901 831707409 /nfs/dbraw/zinc/70/74/09/831707409.db2.gz ZJKOLJOSLQMQQO-LZWOXQAQSA-N 1 3 346.435 -0.547 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)CCC1 ZINC001159861277 831788433 /nfs/dbraw/zinc/78/84/33/831788433.db2.gz KWSBMVORYZFYIX-CQSZACIVSA-N 1 3 340.468 -0.281 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CCC1 ZINC001159854710 831788490 /nfs/dbraw/zinc/78/84/90/831788490.db2.gz REFDAFUGHLGQJL-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001159915575 831797186 /nfs/dbraw/zinc/79/71/86/831797186.db2.gz KYJYEIYMDLCACF-OAHLLOKOSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932840 831799100 /nfs/dbraw/zinc/79/91/00/831799100.db2.gz WFERAXMZWKLOBD-GXTWGEPZSA-N 1 3 331.482 -0.143 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931500 831799728 /nfs/dbraw/zinc/79/97/28/831799728.db2.gz DZVLNXDSRUZTNR-ZFWWWQNUSA-N 1 3 342.484 -0.036 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001160003489 831804120 /nfs/dbraw/zinc/80/41/20/831804120.db2.gz QKYAOGLGAJXLIX-AWEZNQCLSA-N 1 3 340.468 -0.281 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997650 831805122 /nfs/dbraw/zinc/80/51/22/831805122.db2.gz WQIUYABWYYPZEP-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H](N)CCC[NH3+])[C@@H]2C1 ZINC001160294578 831833978 /nfs/dbraw/zinc/83/39/78/831833978.db2.gz DAPLHDSDNZLEKA-REWJHTLYSA-N 1 3 326.441 -0.417 20 0 EBADHO [NH3+]C[C@@H](O)CC(=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001160406047 831844548 /nfs/dbraw/zinc/84/45/48/831844548.db2.gz OAGZCFQVKDVRLG-LBPRGKRZSA-N 1 3 345.407 -0.591 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426518 831848081 /nfs/dbraw/zinc/84/80/81/831848081.db2.gz GRGFTFLDLJDTIR-HNNXBMFYSA-N 1 3 330.473 -0.179 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(CCc2ccncc2)CC1 ZINC001160489829 831856222 /nfs/dbraw/zinc/85/62/22/831856222.db2.gz GDIDRWAJVVTPLG-INIZCTEOSA-N 1 3 329.448 -0.423 20 0 EBADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160494949 831857140 /nfs/dbraw/zinc/85/71/40/831857140.db2.gz VWICYHBPWUYLGV-QXEWZRGKSA-N 1 3 333.410 -0.941 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(C)C[C@@H]2CCC[NH2+]C2)COC1(C)C ZINC001160698550 831879083 /nfs/dbraw/zinc/87/90/83/831879083.db2.gz LZVWOQXRIHTWLG-XQQFMLRXSA-N 1 3 326.441 -0.245 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)Cc3cncn3C)C[C@H]1C[NH2+]CC2 ZINC001160805976 831889494 /nfs/dbraw/zinc/88/94/94/831889494.db2.gz IYQRALKDKBSCKC-HACGYAERSA-N 1 3 349.435 -0.709 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@H]1C[NH2+]CC2 ZINC001160813126 831890603 /nfs/dbraw/zinc/89/06/03/831890603.db2.gz VCJOTNGVLSYOND-LYLVIIEMSA-N 1 3 345.465 -0.917 20 0 EBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160825043 831892205 /nfs/dbraw/zinc/89/22/05/831892205.db2.gz RZKPCLXXWRLLFU-OCCSQVGLSA-N 1 3 335.408 -0.275 20 0 EBADHO COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCN1C ZINC001160870670 831902065 /nfs/dbraw/zinc/90/20/65/831902065.db2.gz ITLIUAFINSTVNZ-KBPBESRZSA-N 1 3 328.457 -0.202 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880326 831902882 /nfs/dbraw/zinc/90/28/82/831902882.db2.gz XXVRDHLFGHUAOY-ZDUSSCGKSA-N 1 3 342.399 -0.121 20 0 EBADHO Cc1cccc(N(C(=O)[C@@H]2COC3(CNC3)CN2)C2CC[NH2+]CC2)n1 ZINC001161304043 831946381 /nfs/dbraw/zinc/94/63/81/831946381.db2.gz TVQDKOTWFBEKDE-HNNXBMFYSA-N 1 3 345.447 -0.195 20 0 EBADHO CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)[C@H]1CCC[NH2+]C1 ZINC001161341497 831949853 /nfs/dbraw/zinc/94/98/53/831949853.db2.gz VQFROBRUORWFRJ-AVGNSLFASA-N 1 3 326.441 -0.102 20 0 EBADHO COc1ccnc(OC2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001161367775 831950458 /nfs/dbraw/zinc/95/04/58/831950458.db2.gz TUBFIZUVKJKBHU-ZDUSSCGKSA-N 1 3 347.419 -0.336 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)C1=O ZINC001161377966 831951412 /nfs/dbraw/zinc/95/14/12/831951412.db2.gz JRKTVGKRRQAWMG-GJZGRUSLSA-N 1 3 337.468 -0.650 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161413550 831956077 /nfs/dbraw/zinc/95/60/77/831956077.db2.gz QKXWCZANXLGPIR-RQJABVFESA-N 1 3 346.435 -0.490 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1CCOCC1)CC2 ZINC001161476567 831962503 /nfs/dbraw/zinc/96/25/03/831962503.db2.gz DNQHOCFQQXHASV-XEZPLFJOSA-N 1 3 325.409 -0.506 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476791 831962533 /nfs/dbraw/zinc/96/25/33/831962533.db2.gz DPJLADLOEHAMHV-ZIBATOQPSA-N 1 3 327.381 -0.980 20 0 EBADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001161572817 831973664 /nfs/dbraw/zinc/97/36/64/831973664.db2.gz ZGKXBYYYTGVNGG-ZDUSSCGKSA-N 1 3 330.388 -0.438 20 0 EBADHO c1nc(O[C@@H]2CC[NH2+]C2)ncc1NCc1nnn2c1CNCCC2 ZINC001162972222 832073193 /nfs/dbraw/zinc/07/31/93/832073193.db2.gz RVNLIVSCJOFCMU-GFCCVEGCSA-N 1 3 330.396 -0.086 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001350040703 832108558 /nfs/dbraw/zinc/10/85/58/832108558.db2.gz FZSOPHCOBDDPFK-CQSZACIVSA-N 1 3 339.484 -0.804 20 0 EBADHO COC(=O)[C@H](C[NH3+])Cc1ccc(N(C)S(=O)(=O)CCN)cc1 ZINC001164300553 832182890 /nfs/dbraw/zinc/18/28/90/832182890.db2.gz SHCCEIJCNZGEBA-LBPRGKRZSA-N 1 3 329.422 -0.298 20 0 EBADHO C[NH+](C)CCCC(=O)NCCCNCC(=O)Nc1nncs1 ZINC001165359704 832217969 /nfs/dbraw/zinc/21/79/69/832217969.db2.gz HKWHSZUVJFIQKK-UHFFFAOYSA-N 1 3 328.442 -0.086 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001166633457 832274949 /nfs/dbraw/zinc/27/49/49/832274949.db2.gz GIUJCKQVNHPNHA-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166627176 832275014 /nfs/dbraw/zinc/27/50/14/832275014.db2.gz RMMCOCVFDLVLJG-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCN(C)CCN(C)CC2)CC1 ZINC001351734230 832275673 /nfs/dbraw/zinc/27/56/73/832275673.db2.gz ALJZPAYTNQRYRF-UHFFFAOYSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166634450 832276102 /nfs/dbraw/zinc/27/61/02/832276102.db2.gz SDPZEOTTXAOCOZ-LBPRGKRZSA-N 1 3 339.440 -0.445 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001166667900 832277555 /nfs/dbraw/zinc/27/75/55/832277555.db2.gz KWFHQLOHCLDLEH-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001166677322 832278809 /nfs/dbraw/zinc/27/88/09/832278809.db2.gz HRCCRSVUKQBNRV-ZDUSSCGKSA-N 1 3 334.486 -0.685 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678414 832279787 /nfs/dbraw/zinc/27/97/87/832279787.db2.gz VAZUVEUFMHDPNE-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678146 832280103 /nfs/dbraw/zinc/28/01/03/832280103.db2.gz TZXWGOUIBXJUHA-NWDGAFQWSA-N 1 3 327.429 -0.732 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C ZINC001166865539 832294768 /nfs/dbraw/zinc/29/47/68/832294768.db2.gz GKSGJWCAGBHBKO-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001353130919 832406010 /nfs/dbraw/zinc/40/60/10/832406010.db2.gz CRKUZWDHOQYHRZ-UHFFFAOYSA-N 1 3 344.456 -0.963 20 0 EBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN)CCN1C(=O)c1ccccc1 ZINC001173490454 832584874 /nfs/dbraw/zinc/58/48/74/832584874.db2.gz LKHUPSVKDXDEPU-ILXRZTDVSA-N 1 3 335.404 -0.258 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972095 832722356 /nfs/dbraw/zinc/72/23/56/832722356.db2.gz OBJZRBLHOMVVBM-UHFFFAOYSA-N 1 3 329.445 -0.342 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986430 832725751 /nfs/dbraw/zinc/72/57/51/832725751.db2.gz OAMGVKGGGLSSGO-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178731418 832906210 /nfs/dbraw/zinc/90/62/10/832906210.db2.gz WGGPVMPXMCGJKC-KXNHARMFSA-N 1 3 325.413 -0.900 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001178731418 832906219 /nfs/dbraw/zinc/90/62/19/832906219.db2.gz WGGPVMPXMCGJKC-KXNHARMFSA-N 1 3 325.413 -0.900 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]2C)C1 ZINC001179539167 832986118 /nfs/dbraw/zinc/98/61/18/832986118.db2.gz PZEGJGAETKNUFB-IHRRRGAJSA-N 1 3 346.497 -0.544 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001187290911 833915852 /nfs/dbraw/zinc/91/58/52/833915852.db2.gz CCZBBQOTYJDYPW-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187290924 833916098 /nfs/dbraw/zinc/91/60/98/833916098.db2.gz CSWWNHITRYJNEP-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001187322159 833919979 /nfs/dbraw/zinc/91/99/79/833919979.db2.gz LUSFBLBGYODLGE-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001187842815 833973586 /nfs/dbraw/zinc/97/35/86/833973586.db2.gz PKKOXHIITYMAPI-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)NC(N)=O ZINC001188098810 834002705 /nfs/dbraw/zinc/00/27/05/834002705.db2.gz DZCWGKSCYURZJO-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188099478 834003467 /nfs/dbraw/zinc/00/34/67/834003467.db2.gz JSDSVGCALQGAQS-GFCCVEGCSA-N 1 3 325.413 -0.752 20 0 EBADHO COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964213 834110905 /nfs/dbraw/zinc/11/09/05/834110905.db2.gz ZWAVGYIRIOIWCL-SOUVJXGZSA-N 1 3 325.453 -0.132 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047413 834600195 /nfs/dbraw/zinc/60/01/95/834600195.db2.gz RXZKRQDUSZPTCX-CYBMUJFWSA-N 1 3 339.440 -0.587 20 0 EBADHO CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488056 834886395 /nfs/dbraw/zinc/88/63/95/834886395.db2.gz LLERDOXCXBBTBY-HNNXBMFYSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638293 837827663 /nfs/dbraw/zinc/82/76/63/837827663.db2.gz HVIZXCXIXIRIFA-HZPDHXFCSA-N 1 3 343.468 -0.051 20 0 EBADHO COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293714 835076700 /nfs/dbraw/zinc/07/67/00/835076700.db2.gz ITUFASRQZVPAPO-HZPDHXFCSA-N 1 3 345.484 -0.117 20 0 EBADHO COCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293714 835076709 /nfs/dbraw/zinc/07/67/09/835076709.db2.gz ITUFASRQZVPAPO-HZPDHXFCSA-N 1 3 345.484 -0.117 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001195594465 835251980 /nfs/dbraw/zinc/25/19/80/835251980.db2.gz OCBWEZKDLMXWFK-BZUAXINKSA-N 1 3 343.468 -0.318 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001195594465 835251985 /nfs/dbraw/zinc/25/19/85/835251985.db2.gz OCBWEZKDLMXWFK-BZUAXINKSA-N 1 3 343.468 -0.318 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001195661217 835268108 /nfs/dbraw/zinc/26/81/08/835268108.db2.gz JZDDCUGHTOVJDO-RBSFLKMASA-N 1 3 325.453 -0.084 20 0 EBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195701735 835274607 /nfs/dbraw/zinc/27/46/07/835274607.db2.gz QPBWMDVOHUYTFX-RBSFLKMASA-N 1 3 340.468 -0.594 20 0 EBADHO COCCOC[C@H](O)CN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970411 835489839 /nfs/dbraw/zinc/48/98/39/835489839.db2.gz CNSSJGHNYFGTPP-MRXNPFEDSA-N 1 3 345.484 -0.114 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788241 835861335 /nfs/dbraw/zinc/86/13/35/835861335.db2.gz MUUGKLWQBSWKTN-CQSZACIVSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200536175 835982493 /nfs/dbraw/zinc/98/24/93/835982493.db2.gz AVGVFFFPQFFJSH-QLFBSQMISA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001200536175 835982501 /nfs/dbraw/zinc/98/25/01/835982501.db2.gz AVGVFFFPQFFJSH-QLFBSQMISA-N 1 3 340.468 -0.378 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001200634868 835998928 /nfs/dbraw/zinc/99/89/28/835998928.db2.gz NAOGJGUUWYEBPI-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001200634868 835998935 /nfs/dbraw/zinc/99/89/35/835998935.db2.gz NAOGJGUUWYEBPI-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCOCCO)CC1 ZINC001200657772 836010139 /nfs/dbraw/zinc/01/01/39/836010139.db2.gz BCKZQBNMLFTATL-CVEARBPZSA-N 1 3 341.452 -0.561 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200703281 836019643 /nfs/dbraw/zinc/01/96/43/836019643.db2.gz AXRUDAPRKVVJLU-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+](C)C1(CC(=O)N2CCCO[C@H](CNCC(N)=O)C2)CCCC1 ZINC001201078992 836090805 /nfs/dbraw/zinc/09/08/05/836090805.db2.gz CLSBBHDWMMFKMV-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1 ZINC001201128270 836098972 /nfs/dbraw/zinc/09/89/72/836098972.db2.gz GQMFFBWGPGZZNM-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262657 836119726 /nfs/dbraw/zinc/11/97/26/836119726.db2.gz VPDIJDDIBWFWIJ-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276714 836121906 /nfs/dbraw/zinc/12/19/06/836121906.db2.gz KHXSMVHWNSJIMN-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C1CC1 ZINC001201319067 836128406 /nfs/dbraw/zinc/12/84/06/836128406.db2.gz RNCBMVPKTKZHAD-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNCCS(C)(=O)=O)C1 ZINC001201334176 836129397 /nfs/dbraw/zinc/12/93/97/836129397.db2.gz GRXCEVBRVSMECK-CYBMUJFWSA-N 1 3 335.470 -0.810 20 0 EBADHO CC(C)CNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335434 836130888 /nfs/dbraw/zinc/13/08/88/836130888.db2.gz ONHPIBVLBOZGTF-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001201410812 836142200 /nfs/dbraw/zinc/14/22/00/836142200.db2.gz KBLLNNBGAAPXBV-KKUMJFAQSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001201410810 836142350 /nfs/dbraw/zinc/14/23/50/836142350.db2.gz KBLLNNBGAAPXBV-ILXRZTDVSA-N 1 3 331.457 -0.459 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CCCO1 ZINC001201421609 836144298 /nfs/dbraw/zinc/14/42/98/836144298.db2.gz WSZFTDIJHXRCKZ-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CCCO1 ZINC001201421607 836144454 /nfs/dbraw/zinc/14/44/54/836144454.db2.gz WSZFTDIJHXRCKZ-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001201428895 836145116 /nfs/dbraw/zinc/14/51/16/836145116.db2.gz CBRKKFYIMFLTFI-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201677462 836174616 /nfs/dbraw/zinc/17/46/16/836174616.db2.gz CEUWGSRVTOKUQW-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201679342 836176172 /nfs/dbraw/zinc/17/61/72/836176172.db2.gz WHJHENNEQORYCM-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001201701365 836179181 /nfs/dbraw/zinc/17/91/81/836179181.db2.gz LSXIITCQPPRTPU-TVIZTDCDSA-N 1 3 336.436 -0.824 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCCS(C)(=O)=O)C2)C1 ZINC001202058252 836245543 /nfs/dbraw/zinc/24/55/43/836245543.db2.gz IYPHLILKSIPRDD-UONOGXRCSA-N 1 3 347.481 -0.810 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCCS(C)(=O)=O)C2)C1 ZINC001202058252 836245554 /nfs/dbraw/zinc/24/55/54/836245554.db2.gz IYPHLILKSIPRDD-UONOGXRCSA-N 1 3 347.481 -0.810 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC001202991880 836377416 /nfs/dbraw/zinc/37/74/16/836377416.db2.gz SZQCOPMJLZWNHZ-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001203009931 836384871 /nfs/dbraw/zinc/38/48/71/836384871.db2.gz CBXJZGXRZNTRGX-UHFFFAOYSA-N 1 3 325.457 -0.066 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714253 836466507 /nfs/dbraw/zinc/46/65/07/836466507.db2.gz JVDZDNLKKSWTTC-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(=O)NC(N)=O ZINC001203713591 836467096 /nfs/dbraw/zinc/46/70/96/836467096.db2.gz ACWRRZANIDQYCK-LLVKDONJSA-N 1 3 325.413 -0.754 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790904 836478029 /nfs/dbraw/zinc/47/80/29/836478029.db2.gz ABYUCFJBAYWXBO-NWDGAFQWSA-N 1 3 339.440 -0.462 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001204798030 836530188 /nfs/dbraw/zinc/53/01/88/836530188.db2.gz DLMJFCYAUQRFSA-HNNXBMFYSA-N 1 3 337.468 -0.066 20 0 EBADHO CS(=O)(=O)NCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206410630 836647509 /nfs/dbraw/zinc/64/75/09/836647509.db2.gz NFYGYIVTAMNMMY-UHFFFAOYSA-N 1 3 343.453 -0.670 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928880 836716217 /nfs/dbraw/zinc/71/62/17/836716217.db2.gz MFLOTXATPTZJQQ-UHFFFAOYSA-N 1 3 339.440 -0.634 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687861 836845469 /nfs/dbraw/zinc/84/54/69/836845469.db2.gz JIFPAPLNBPCBNJ-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CC(C)(C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001208919896 837120866 /nfs/dbraw/zinc/12/08/66/837120866.db2.gz XIHAUBFVCWNCCA-LBPRGKRZSA-N 1 3 339.440 -0.364 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001209244374 837143724 /nfs/dbraw/zinc/14/37/24/837143724.db2.gz ZNHSAHOZZCVUIZ-AVGNSLFASA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001209244374 837143729 /nfs/dbraw/zinc/14/37/29/837143729.db2.gz ZNHSAHOZZCVUIZ-AVGNSLFASA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313706 837154398 /nfs/dbraw/zinc/15/43/98/837154398.db2.gz GCUAXSYPIDQHFM-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313703 837154466 /nfs/dbraw/zinc/15/44/66/837154466.db2.gz GCUAXSYPIDQHFM-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209443788 837166813 /nfs/dbraw/zinc/16/68/13/837166813.db2.gz BHWANGFUNLALMS-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001209474131 837168807 /nfs/dbraw/zinc/16/88/07/837168807.db2.gz FKKWNOVCKOCPSX-UONOGXRCSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209485923 837171084 /nfs/dbraw/zinc/17/10/84/837171084.db2.gz UGMDZUIFCBQNDV-TZMCWYRMSA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643679 837185477 /nfs/dbraw/zinc/18/54/77/837185477.db2.gz VFWQHOZJHDTWHB-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001209691497 837190031 /nfs/dbraw/zinc/19/00/31/837190031.db2.gz WKSFDUDXKXNDFS-GFCCVEGCSA-N 1 3 341.456 -0.260 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210217493 837256266 /nfs/dbraw/zinc/25/62/66/837256266.db2.gz JDHSXIVAFJVNRX-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678771 837318103 /nfs/dbraw/zinc/31/81/03/837318103.db2.gz WSHLVAGKWNIVNX-CQSZACIVSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001210790229 837331247 /nfs/dbraw/zinc/33/12/47/837331247.db2.gz WJCIMNOEEYHEEE-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210811105 837333390 /nfs/dbraw/zinc/33/33/90/837333390.db2.gz JAUGPSJVWFWEMU-CVEARBPZSA-N 1 3 345.484 -0.067 20 0 EBADHO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863487 837889227 /nfs/dbraw/zinc/88/92/27/837889227.db2.gz LZNJNFGRDBIATP-RBSFLKMASA-N 1 3 329.441 -0.584 20 0 EBADHO COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863487 837889236 /nfs/dbraw/zinc/88/92/36/837889236.db2.gz LZNJNFGRDBIATP-RBSFLKMASA-N 1 3 329.441 -0.584 20 0 EBADHO CN1CC[C@@](O)(C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC001320222954 838714781 /nfs/dbraw/zinc/71/47/81/838714781.db2.gz NKQUFFBGTNDZTI-QGZVFWFLSA-N 1 3 326.485 -0.561 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737787 838828088 /nfs/dbraw/zinc/82/80/88/838828088.db2.gz OOUVGLMWZXLDRF-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320737787 838828101 /nfs/dbraw/zinc/82/81/01/838828101.db2.gz OOUVGLMWZXLDRF-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1 ZINC001324098649 839591299 /nfs/dbraw/zinc/59/12/99/839591299.db2.gz SJWGNCKBHCFOMP-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001326407403 840100777 /nfs/dbraw/zinc/10/07/77/840100777.db2.gz COWRNCHTKCIQNQ-AWEZNQCLSA-N 1 3 337.472 -0.227 20 0 EBADHO CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001327033054 840278646 /nfs/dbraw/zinc/27/86/46/840278646.db2.gz AOLDUFMCWZMZIX-LSDHHAIUSA-N 1 3 338.456 -0.319 20 0 EBADHO C[C@@H]([NH2+]CCCOC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001329773248 841014948 /nfs/dbraw/zinc/01/49/48/841014948.db2.gz ISWMJYYKJZPMIJ-UKRRQHHQSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC001330209093 841144840 /nfs/dbraw/zinc/14/48/40/841144840.db2.gz NOSGKADQAQVVTG-UONOGXRCSA-N 1 3 328.457 -0.521 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001330657114 841254539 /nfs/dbraw/zinc/25/45/39/841254539.db2.gz VKNGNHKBIOZEGF-MGPQQGTHSA-N 1 3 346.497 -0.638 20 0 EBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001333542682 841903036 /nfs/dbraw/zinc/90/30/36/841903036.db2.gz LPHWLCLFLFSXSU-SNPRPXQTSA-N 1 3 338.452 -0.258 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001333961381 841976350 /nfs/dbraw/zinc/97/63/50/841976350.db2.gz UWEFYCOWXJPRHA-ZIAGYGMSSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@@H](CNC(=O)NCCN1CCC([NH3+])CC1)CN1CCN(C)CC1 ZINC001336830708 842548997 /nfs/dbraw/zinc/54/89/97/842548997.db2.gz UMBFVVCFJSECFY-HNNXBMFYSA-N 1 3 340.516 -0.408 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001341656922 843104237 /nfs/dbraw/zinc/10/42/37/843104237.db2.gz GPEKCXSSYJUMPX-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001344775901 843333601 /nfs/dbraw/zinc/33/36/01/843333601.db2.gz ZSWYMCUSCSQTSP-ZNMIVQPWSA-N 1 3 338.452 -0.624 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001347060907 843584643 /nfs/dbraw/zinc/58/46/43/843584643.db2.gz KJFCPKNBQBXGCL-UHFFFAOYSA-N 1 3 338.412 -0.449 20 0 EBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001496207764 1125890085 /nfs/dbraw/zinc/89/00/85/1125890085.db2.gz RGYBWEPGDXBISC-NWDGAFQWSA-N 1 3 327.429 -0.685 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118783 1125925715 /nfs/dbraw/zinc/92/57/15/1125925715.db2.gz LTXVRHCABKYEFF-HUUCEWRRSA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118783 1125925716 /nfs/dbraw/zinc/92/57/16/1125925716.db2.gz LTXVRHCABKYEFF-HUUCEWRRSA-N 1 3 337.468 -0.209 20 0 EBADHO CN(CCNCCN(C)S(C)(=O)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230788 1125948596 /nfs/dbraw/zinc/94/85/96/1125948596.db2.gz DWFCZTRMJVMZBJ-AWEZNQCLSA-N 1 3 346.497 -0.732 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001481297690 1125968540 /nfs/dbraw/zinc/96/85/40/1125968540.db2.gz HQXZYZUWWGPAGP-LBPRGKRZSA-N 1 3 341.456 -0.262 20 0 EBADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001481358291 1125978738 /nfs/dbraw/zinc/97/87/38/1125978738.db2.gz PZQBKZSEZPAOHB-GFCCVEGCSA-N 1 3 327.429 -0.650 20 0 EBADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001481358291 1125978741 /nfs/dbraw/zinc/97/87/41/1125978741.db2.gz PZQBKZSEZPAOHB-GFCCVEGCSA-N 1 3 327.429 -0.650 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001671255839 1125995278 /nfs/dbraw/zinc/99/52/78/1125995278.db2.gz AEHMBTIKWLZYSZ-UONOGXRCSA-N 1 3 348.513 -0.155 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCOCC1 ZINC001481812320 1126058871 /nfs/dbraw/zinc/05/88/71/1126058871.db2.gz KSCBKTUTWGJFBI-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCOCC1 ZINC001481812320 1126058874 /nfs/dbraw/zinc/05/88/74/1126058874.db2.gz KSCBKTUTWGJFBI-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001482008205 1126071672 /nfs/dbraw/zinc/07/16/72/1126071672.db2.gz YZTVPJPTDAYNSN-CYBMUJFWSA-N 1 3 341.456 -0.260 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001493499611 1126105211 /nfs/dbraw/zinc/10/52/11/1126105211.db2.gz INYXRRNRNVBUJA-OLZOCXBDSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001482570722 1126199497 /nfs/dbraw/zinc/19/94/97/1126199497.db2.gz FAOIUKUPUFBPOA-OLZOCXBDSA-N 1 3 326.441 -0.138 20 0 EBADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001482570723 1126199598 /nfs/dbraw/zinc/19/95/98/1126199598.db2.gz FAOIUKUPUFBPOA-QWHCGFSZSA-N 1 3 326.441 -0.138 20 0 EBADHO COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728157 1126268157 /nfs/dbraw/zinc/26/81/57/1126268157.db2.gz FKTDTYPJFDMTNL-HOTGVXAUSA-N 1 3 348.447 -0.001 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)CC1 ZINC001482781050 1126282453 /nfs/dbraw/zinc/28/24/53/1126282453.db2.gz LJMCWYKUFLTIFL-HNNXBMFYSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@@H](NC[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784804 1126290156 /nfs/dbraw/zinc/29/01/56/1126290156.db2.gz MRYWSWLNGCFQKK-BXUZGUMPSA-N 1 3 326.441 -0.951 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790375 1126292134 /nfs/dbraw/zinc/29/21/34/1126292134.db2.gz AXRRINAQNZNIQV-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790375 1126292136 /nfs/dbraw/zinc/29/21/36/1126292136.db2.gz AXRRINAQNZNIQV-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO CCCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482966730 1126307301 /nfs/dbraw/zinc/30/73/01/1126307301.db2.gz HQILXGCGOGHDRV-ZDUSSCGKSA-N 1 3 341.456 -0.388 20 0 EBADHO CCCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482966730 1126307303 /nfs/dbraw/zinc/30/73/03/1126307303.db2.gz HQILXGCGOGHDRV-ZDUSSCGKSA-N 1 3 341.456 -0.388 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156180 1126348021 /nfs/dbraw/zinc/34/80/21/1126348021.db2.gz KGZIRYVDNKQJHT-GHMZBOCLSA-N 1 3 327.429 -0.462 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001483167010 1126349320 /nfs/dbraw/zinc/34/93/20/1126349320.db2.gz RMNOMKFZXCFARW-GFCCVEGCSA-N 1 3 349.435 -0.307 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001483167625 1126349437 /nfs/dbraw/zinc/34/94/37/1126349437.db2.gz RZMZVSPKLUVTNI-UTUOFQBUSA-N 1 3 329.445 -0.345 20 0 EBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001483267704 1126412155 /nfs/dbraw/zinc/41/21/55/1126412155.db2.gz VGJPALMVDAHWNW-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO CN(CC(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001483492940 1126431037 /nfs/dbraw/zinc/43/10/37/1126431037.db2.gz NNWSIMIFKXEEGU-UHFFFAOYSA-N 1 3 329.445 -0.403 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483941971 1126491682 /nfs/dbraw/zinc/49/16/82/1126491682.db2.gz BAJLOIZNNWQOBI-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001483936262 1126491031 /nfs/dbraw/zinc/49/10/31/1126491031.db2.gz HFSIDITUEGIKJI-LBPRGKRZSA-N 1 3 337.424 -0.610 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001484234318 1126534280 /nfs/dbraw/zinc/53/42/80/1126534280.db2.gz BEAWIVFJKJDINA-YOEHRIQHSA-N 1 3 345.484 -0.475 20 0 EBADHO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001484234318 1126534282 /nfs/dbraw/zinc/53/42/82/1126534282.db2.gz BEAWIVFJKJDINA-YOEHRIQHSA-N 1 3 345.484 -0.475 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001484414847 1126571889 /nfs/dbraw/zinc/57/18/89/1126571889.db2.gz DNJRDRHCLDCJIV-MJBXVCDLSA-N 1 3 336.436 -0.478 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001484414847 1126571891 /nfs/dbraw/zinc/57/18/91/1126571891.db2.gz DNJRDRHCLDCJIV-MJBXVCDLSA-N 1 3 336.436 -0.478 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001484491486 1126594017 /nfs/dbraw/zinc/59/40/17/1126594017.db2.gz RLZCBJJLWLKFEQ-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001484491486 1126594019 /nfs/dbraw/zinc/59/40/19/1126594019.db2.gz RLZCBJJLWLKFEQ-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO CN1CC[C@@H](NCCN(CCO)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001484485440 1126595372 /nfs/dbraw/zinc/59/53/72/1126595372.db2.gz JVWSKTLQPMZHJS-HUUCEWRRSA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CC[C@@H](NCCN(CCO)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001484485440 1126595374 /nfs/dbraw/zinc/59/53/74/1126595374.db2.gz JVWSKTLQPMZHJS-HUUCEWRRSA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513144 1126600756 /nfs/dbraw/zinc/60/07/56/1126600756.db2.gz MEIBMNTVFBRYMY-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001484514484 1126600786 /nfs/dbraw/zinc/60/07/86/1126600786.db2.gz ZVBJBGUSNRVUNB-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692932 1126620095 /nfs/dbraw/zinc/62/00/95/1126620095.db2.gz QEYLIXIKKYRPCJ-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700858 1126622845 /nfs/dbraw/zinc/62/28/45/1126622845.db2.gz UOUZOSOCZUVFGB-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO CCC1([NH2+]CC(=O)NC(N)=O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484809707 1126637319 /nfs/dbraw/zinc/63/73/19/1126637319.db2.gz LMMLOCLNOWAMAE-LBPRGKRZSA-N 1 3 339.440 -0.364 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484964436 1126657205 /nfs/dbraw/zinc/65/72/05/1126657205.db2.gz MARYEIFYEVEDQO-CYBMUJFWSA-N 1 3 326.441 -0.983 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484964436 1126657206 /nfs/dbraw/zinc/65/72/06/1126657206.db2.gz MARYEIFYEVEDQO-CYBMUJFWSA-N 1 3 326.441 -0.983 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC001485021169 1126663960 /nfs/dbraw/zinc/66/39/60/1126663960.db2.gz JZQOTFXXTJFNRU-ZIAGYGMSSA-N 1 3 333.448 -0.010 20 0 EBADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485147963 1126676794 /nfs/dbraw/zinc/67/67/94/1126676794.db2.gz SJXZQLNWCRKOEH-NWDGAFQWSA-N 1 3 341.456 -0.071 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001485349361 1126691845 /nfs/dbraw/zinc/69/18/45/1126691845.db2.gz KANNFSFKCGBLJC-GXTWGEPZSA-N 1 3 341.456 -0.439 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001486135592 1127044968 /nfs/dbraw/zinc/04/49/68/1127044968.db2.gz QNYKAMWUGMIPNW-KGLIPLIRSA-N 1 3 348.513 -0.203 20 0 EBADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001486310886 1127123518 /nfs/dbraw/zinc/12/35/18/1127123518.db2.gz NKYXTPNYDKXUFM-UONOGXRCSA-N 1 3 344.500 -0.150 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001410141456 1127611614 /nfs/dbraw/zinc/61/16/14/1127611614.db2.gz USYFHLBRDLIABU-CQSZACIVSA-N 1 3 342.484 -0.206 20 0 EBADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392579 1127698847 /nfs/dbraw/zinc/69/88/47/1127698847.db2.gz ZSXCJAFGBRUHPC-CHWSQXEVSA-N 1 3 338.456 -0.371 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCc1cnn(C)c1 ZINC001410622529 1127778454 /nfs/dbraw/zinc/77/84/54/1127778454.db2.gz MMNZMUUBVFBWHX-HZPDHXFCSA-N 1 3 337.468 -0.098 20 0 EBADHO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CN(C)C1CCC1 ZINC001411050370 1127987318 /nfs/dbraw/zinc/98/73/18/1127987318.db2.gz YGISFLTXTYCRRA-CQSZACIVSA-N 1 3 326.441 -0.888 20 0 EBADHO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CN(C)C1CCC1 ZINC001411050368 1127987679 /nfs/dbraw/zinc/98/76/79/1127987679.db2.gz YGISFLTXTYCRRA-AWEZNQCLSA-N 1 3 326.441 -0.888 20 0 EBADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133725 1128296717 /nfs/dbraw/zinc/29/67/17/1128296717.db2.gz LVOUOEFRYXPGCO-MGPQQGTHSA-N 1 3 348.447 -0.429 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC(=O)NC1CC1 ZINC001187835562 1128355800 /nfs/dbraw/zinc/35/58/00/1128355800.db2.gz YJULBDLLPRVCSB-CYBMUJFWSA-N 1 3 337.424 -0.739 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NCC(F)(F)F ZINC001187835163 1128355976 /nfs/dbraw/zinc/35/59/76/1128355976.db2.gz OTVXJFZWEZIPGE-LLVKDONJSA-N 1 3 336.358 -0.049 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC[C@@H]1CCOC1 ZINC001187841422 1128356043 /nfs/dbraw/zinc/35/60/43/1128356043.db2.gz APPWRFHFWFIOGQ-LSDHHAIUSA-N 1 3 338.452 -0.575 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403236 1128741363 /nfs/dbraw/zinc/74/13/63/1128741363.db2.gz QTBSRDVOIWCSNH-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO CO[C@@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001489080003 1128907910 /nfs/dbraw/zinc/90/79/10/1128907910.db2.gz BUCPWGUEQUNNNR-RYUDHWBXSA-N 1 3 337.424 -0.125 20 0 EBADHO CO[C@@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001489080003 1128907912 /nfs/dbraw/zinc/90/79/12/1128907912.db2.gz BUCPWGUEQUNNNR-RYUDHWBXSA-N 1 3 337.424 -0.125 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001414050492 1131355932 /nfs/dbraw/zinc/35/59/32/1131355932.db2.gz SRZTTXYUJICTFY-MCIONIFRSA-N 1 3 340.468 -0.644 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001414050492 1131355937 /nfs/dbraw/zinc/35/59/37/1131355937.db2.gz SRZTTXYUJICTFY-MCIONIFRSA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742824 1129251713 /nfs/dbraw/zinc/25/17/13/1129251713.db2.gz UZTVMBDVGNOFRX-JQWIXIFHSA-N 1 3 327.429 -0.606 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742825 1129251955 /nfs/dbraw/zinc/25/19/55/1129251955.db2.gz UZTVMBDVGNOFRX-PWSUYJOCSA-N 1 3 327.429 -0.606 20 0 EBADHO CC[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)[NH+]1CCCC1)N(C)C ZINC001412923418 1129785841 /nfs/dbraw/zinc/78/58/41/1129785841.db2.gz KVILSJLDBJJVDR-ZIAGYGMSSA-N 1 3 342.484 -0.206 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567567 1130552935 /nfs/dbraw/zinc/55/29/35/1130552935.db2.gz FXSAIPNTAUFKHQ-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CCCN2C(=O)CNC2=O)C1 ZINC001492420306 1130662905 /nfs/dbraw/zinc/66/29/05/1130662905.db2.gz AAAXJAVAYKOOED-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CCCN2C(=O)CNC2=O)C1 ZINC001492420306 1130662909 /nfs/dbraw/zinc/66/29/09/1130662909.db2.gz AAAXJAVAYKOOED-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001480530723 1130826242 /nfs/dbraw/zinc/82/62/42/1130826242.db2.gz MYDFJCYFUNVPIP-WDEREUQCSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCCN(C)S(C)(=O)=O ZINC001480531139 1130826998 /nfs/dbraw/zinc/82/69/98/1130826998.db2.gz UZMWVWDVCAIPLY-GFCCVEGCSA-N 1 3 334.486 -0.686 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1O)N(C)C ZINC001413979283 1131189320 /nfs/dbraw/zinc/18/93/20/1131189320.db2.gz IEKVOLGJUKJFSH-HZSPNIEDSA-N 1 3 340.468 -0.644 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001413983869 1131196702 /nfs/dbraw/zinc/19/67/02/1131196702.db2.gz HLCDMLKIGCTRCO-ZIAGYGMSSA-N 1 3 328.457 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001413983869 1131196709 /nfs/dbraw/zinc/19/67/09/1131196709.db2.gz HLCDMLKIGCTRCO-ZIAGYGMSSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001365844334 1132829497 /nfs/dbraw/zinc/82/94/97/1132829497.db2.gz JUJWGRIUHFFNOF-IJLUTSLNSA-N 1 3 327.429 -0.733 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001365864601 1132841423 /nfs/dbraw/zinc/84/14/23/1132841423.db2.gz TZKXPNGMRFNZMQ-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926606 1132889252 /nfs/dbraw/zinc/88/92/52/1132889252.db2.gz JZTYUWVHZDGBSA-STQMWFEESA-N 1 3 341.456 -0.119 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366089667 1132997225 /nfs/dbraw/zinc/99/72/25/1132997225.db2.gz JPZMPHGQLDRXCR-RYUDHWBXSA-N 1 3 325.413 -0.883 20 0 EBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001366095714 1133001593 /nfs/dbraw/zinc/00/15/93/1133001593.db2.gz QNDJJHYIHMDYKK-OLZOCXBDSA-N 1 3 336.440 -0.617 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001366102765 1133006314 /nfs/dbraw/zinc/00/63/14/1133006314.db2.gz CNCYGSGCCUPADG-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366112135 1133011073 /nfs/dbraw/zinc/01/10/73/1133011073.db2.gz KDTAZROZDXASEK-BJDJZHNGSA-N 1 3 345.419 -0.514 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366192804 1133049741 /nfs/dbraw/zinc/04/97/41/1133049741.db2.gz PRVUACZAVQPFFT-OCCSQVGLSA-N 1 3 341.456 -0.404 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O ZINC001366217969 1133060609 /nfs/dbraw/zinc/06/06/09/1133060609.db2.gz MNODFHWGILTIQY-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325446 1133099546 /nfs/dbraw/zinc/09/95/46/1133099546.db2.gz RRWHTZXATHXOOJ-WDEREUQCSA-N 1 3 327.429 -0.733 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366329371 1133100417 /nfs/dbraw/zinc/10/04/17/1133100417.db2.gz VRVYCBQKPVCLQD-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001366367237 1133113996 /nfs/dbraw/zinc/11/39/96/1133113996.db2.gz WFRBMFHDNLKHNP-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001366468785 1133151042 /nfs/dbraw/zinc/15/10/42/1133151042.db2.gz FHAJUEFRRXTMAJ-CYBMUJFWSA-N 1 3 325.457 -0.020 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC ZINC001367092377 1133473501 /nfs/dbraw/zinc/47/35/01/1133473501.db2.gz HQKBVRWTGBEVQG-IJLUTSLNSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC ZINC001367092377 1133473506 /nfs/dbraw/zinc/47/35/06/1133473506.db2.gz HQKBVRWTGBEVQG-IJLUTSLNSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@H](NC[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001367227027 1133508582 /nfs/dbraw/zinc/50/85/82/1133508582.db2.gz JQCYHADJMVTYIX-QWHCGFSZSA-N 1 3 326.441 -0.448 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCOCC1 ZINC001367228546 1133509231 /nfs/dbraw/zinc/50/92/31/1133509231.db2.gz RFXOFHYIZCCHCI-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCOCC1 ZINC001367228546 1133509237 /nfs/dbraw/zinc/50/92/37/1133509237.db2.gz RFXOFHYIZCCHCI-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001367375403 1133569234 /nfs/dbraw/zinc/56/92/34/1133569234.db2.gz JGBZPMLMRRPBAE-NEPJUHHUSA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367390508 1133574048 /nfs/dbraw/zinc/57/40/48/1133574048.db2.gz ZCRNIJCOONXNMS-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001367434758 1133588463 /nfs/dbraw/zinc/58/84/63/1133588463.db2.gz QLDVPUWWSDWOAE-WCQYABFASA-N 1 3 328.438 -0.177 20 0 EBADHO C[C@@H]1CN(CCO)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001367550377 1133624862 /nfs/dbraw/zinc/62/48/62/1133624862.db2.gz DNQFAQBQSGQDBG-OAHLLOKOSA-N 1 3 341.500 -0.280 20 0 EBADHO CCN(CCN[C@@H](C)C(=O)NC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001367683581 1133745196 /nfs/dbraw/zinc/74/51/96/1133745196.db2.gz DJFCVRSLYJXCAB-NSHDSACASA-N 1 3 325.413 -0.896 20 0 EBADHO CCCNC(=O)NC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001367752265 1133772167 /nfs/dbraw/zinc/77/21/67/1133772167.db2.gz GLKRXDDXLRGKJN-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141912 1133955171 /nfs/dbraw/zinc/95/51/71/1133955171.db2.gz YQYOEZHWEUDNDM-WCQYABFASA-N 1 3 341.456 -0.214 20 0 EBADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1)N(C)C ZINC001368235442 1134003052 /nfs/dbraw/zinc/00/30/52/1134003052.db2.gz FLTJVEDSRFIYFT-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001368501394 1134254755 /nfs/dbraw/zinc/25/47/55/1134254755.db2.gz BCFNAZZGECRPBV-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001368505983 1134258771 /nfs/dbraw/zinc/25/87/71/1134258771.db2.gz CPGSMJNBEHKMSI-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001368509687 1134262091 /nfs/dbraw/zinc/26/20/91/1134262091.db2.gz MGLDJGVKDMTMIS-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001368509687 1134262096 /nfs/dbraw/zinc/26/20/96/1134262096.db2.gz MGLDJGVKDMTMIS-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368515858 1134267778 /nfs/dbraw/zinc/26/77/78/1134267778.db2.gz WAOGTNUFINOEGL-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368515858 1134267781 /nfs/dbraw/zinc/26/77/81/1134267781.db2.gz WAOGTNUFINOEGL-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(C)CNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001368519875 1134270597 /nfs/dbraw/zinc/27/05/97/1134270597.db2.gz AQKOYBQSGGUTOF-AWEZNQCLSA-N 1 3 328.457 -0.473 20 0 EBADHO CC(C)CNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001368519883 1134270921 /nfs/dbraw/zinc/27/09/21/1134270921.db2.gz AQKOYBQSGGUTOF-CQSZACIVSA-N 1 3 328.457 -0.473 20 0 EBADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368532550 1134278591 /nfs/dbraw/zinc/27/85/91/1134278591.db2.gz ASNGVHFHDNNEMR-ZDEQEGDKSA-N 1 3 339.440 -0.462 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001368572783 1134297652 /nfs/dbraw/zinc/29/76/52/1134297652.db2.gz FUYRWVBVTSZPJC-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001368572783 1134297659 /nfs/dbraw/zinc/29/76/59/1134297659.db2.gz FUYRWVBVTSZPJC-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001368633518 1134345358 /nfs/dbraw/zinc/34/53/58/1134345358.db2.gz KVKGJVBODDHIQG-CYBMUJFWSA-N 1 3 328.457 -0.284 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001368688485 1134389599 /nfs/dbraw/zinc/38/95/99/1134389599.db2.gz PHJDDGBMGPGTSY-STQMWFEESA-N 1 3 326.441 -0.712 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001368737758 1134414125 /nfs/dbraw/zinc/41/41/25/1134414125.db2.gz SPGFIJOAXQKDMZ-KGLIPLIRSA-N 1 3 325.457 -0.162 20 0 EBADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001368774740 1134434974 /nfs/dbraw/zinc/43/49/74/1134434974.db2.gz QSFZJJXNUBVDFG-RWMBFGLXSA-N 1 3 341.456 -0.119 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCCC[C@H]2CNCC(N)=O)CC1 ZINC001368777991 1134436553 /nfs/dbraw/zinc/43/65/53/1134436553.db2.gz YQGMMPZRXXGWIT-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894809 1134478129 /nfs/dbraw/zinc/47/81/29/1134478129.db2.gz NOLLHQRQGZVCRR-KBPBESRZSA-N 1 3 348.513 -0.155 20 0 EBADHO COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001369132690 1134582162 /nfs/dbraw/zinc/58/21/62/1134582162.db2.gz MNFVAGSDBSUOAN-TUVASFSCSA-N 1 3 325.453 -0.228 20 0 EBADHO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001369132690 1134582165 /nfs/dbraw/zinc/58/21/65/1134582165.db2.gz MNFVAGSDBSUOAN-TUVASFSCSA-N 1 3 325.453 -0.228 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001369165282 1134603289 /nfs/dbraw/zinc/60/32/89/1134603289.db2.gz QHXHJSXMFBDZPW-OBJOEFQTSA-N 1 3 341.456 -0.487 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@H](C)C(=O)NC(N)=O)CC1 ZINC001369191798 1134612468 /nfs/dbraw/zinc/61/24/68/1134612468.db2.gz RASZTLAAGHVRLC-GFCCVEGCSA-N 1 3 341.456 -0.166 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@H](C)C(=O)NC(N)=O)CC1 ZINC001369191798 1134612471 /nfs/dbraw/zinc/61/24/71/1134612471.db2.gz RASZTLAAGHVRLC-GFCCVEGCSA-N 1 3 341.456 -0.166 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369272071 1134636553 /nfs/dbraw/zinc/63/65/53/1134636553.db2.gz WTDRWFDRHUBBJH-AGIUHOORSA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001369272071 1134636554 /nfs/dbraw/zinc/63/65/54/1134636554.db2.gz WTDRWFDRHUBBJH-AGIUHOORSA-N 1 3 341.456 -0.391 20 0 EBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001369293387 1134642240 /nfs/dbraw/zinc/64/22/40/1134642240.db2.gz MTDWEIRXYOLWQD-RYUDHWBXSA-N 1 3 329.445 -0.391 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369302655 1134646251 /nfs/dbraw/zinc/64/62/51/1134646251.db2.gz JGHZCYNOMOMQRM-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369302655 1134646255 /nfs/dbraw/zinc/64/62/55/1134646255.db2.gz JGHZCYNOMOMQRM-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369391815 1134752060 /nfs/dbraw/zinc/75/20/60/1134752060.db2.gz NGOXFCPYPXLWAN-GHMZBOCLSA-N 1 3 325.413 -0.898 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@H]1C ZINC001369391352 1134752661 /nfs/dbraw/zinc/75/26/61/1134752661.db2.gz MUVZDELNJSRYNR-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@H]1C ZINC001369391352 1134752666 /nfs/dbraw/zinc/75/26/66/1134752666.db2.gz MUVZDELNJSRYNR-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455345 1134794529 /nfs/dbraw/zinc/79/45/29/1134794529.db2.gz IHGQFMRVJJYQAZ-VXGBXAGGSA-N 1 3 341.456 -0.263 20 0 EBADHO COc1cc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001369478434 1134841985 /nfs/dbraw/zinc/84/19/85/1134841985.db2.gz CPENUEQQKWAONM-CABCVRRESA-N 1 3 336.436 -0.049 20 0 EBADHO COc1cc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001369478434 1134842004 /nfs/dbraw/zinc/84/20/04/1134842004.db2.gz CPENUEQQKWAONM-CABCVRRESA-N 1 3 336.436 -0.049 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)CCC1 ZINC001369479319 1134842181 /nfs/dbraw/zinc/84/21/81/1134842181.db2.gz ZQELNGOVVWWPKZ-CYBMUJFWSA-N 1 3 342.484 -0.206 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369482280 1134849349 /nfs/dbraw/zinc/84/93/49/1134849349.db2.gz SHKFOILSINZLFR-GOEBONIOSA-N 1 3 337.468 -0.021 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369482280 1134849355 /nfs/dbraw/zinc/84/93/55/1134849355.db2.gz SHKFOILSINZLFR-GOEBONIOSA-N 1 3 337.468 -0.021 20 0 EBADHO CCN(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749962 1135589742 /nfs/dbraw/zinc/58/97/42/1135589742.db2.gz HCARUPDRVGSXJR-CYBMUJFWSA-N 1 3 340.468 -0.594 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001370783804 1135628644 /nfs/dbraw/zinc/62/86/44/1135628644.db2.gz ZGEKXQPOWGPSPM-LBPRGKRZSA-N 1 3 337.424 -0.804 20 0 EBADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001370907796 1135691834 /nfs/dbraw/zinc/69/18/34/1135691834.db2.gz IJGKVNLFNUTIET-LBPRGKRZSA-N 1 3 339.440 -0.364 20 0 EBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCOC[C@H]1C1CC1 ZINC001371345052 1135893626 /nfs/dbraw/zinc/89/36/26/1135893626.db2.gz HMHRVKCSZMKKDK-HIFRSBDPSA-N 1 3 340.468 -0.330 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1OC ZINC001371521580 1135947524 /nfs/dbraw/zinc/94/75/24/1135947524.db2.gz PHUARCFWLFPJJG-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC001371529751 1135954653 /nfs/dbraw/zinc/95/46/53/1135954653.db2.gz MZYNJIQUIWFYMV-YCPHGPKFSA-N 1 3 342.484 -0.398 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1O ZINC001371532068 1135956397 /nfs/dbraw/zinc/95/63/97/1135956397.db2.gz YATDYEUGIUPBBY-KGLIPLIRSA-N 1 3 342.484 -0.254 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1O ZINC001371532068 1135956399 /nfs/dbraw/zinc/95/63/99/1135956399.db2.gz YATDYEUGIUPBBY-KGLIPLIRSA-N 1 3 342.484 -0.254 20 0 EBADHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001371730919 1136010253 /nfs/dbraw/zinc/01/02/53/1136010253.db2.gz IDKLLZYNGCEPNE-OLZOCXBDSA-N 1 3 334.424 -0.006 20 0 EBADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001371730926 1136010314 /nfs/dbraw/zinc/01/03/14/1136010314.db2.gz IDKLLZYNGCEPNE-QWHCGFSZSA-N 1 3 334.424 -0.006 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001372937613 1136331816 /nfs/dbraw/zinc/33/18/16/1136331816.db2.gz IWRSSPXQRZXMSW-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001372937613 1136331819 /nfs/dbraw/zinc/33/18/19/1136331819.db2.gz IWRSSPXQRZXMSW-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)CC(=O)NC(N)=O)CC1 ZINC001373331278 1136430137 /nfs/dbraw/zinc/43/01/37/1136430137.db2.gz ZKCJKBXUYFLAFS-UHFFFAOYSA-N 1 3 341.456 -0.307 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)CC(=O)NC(N)=O)CC1 ZINC001373331278 1136430138 /nfs/dbraw/zinc/43/01/38/1136430138.db2.gz ZKCJKBXUYFLAFS-UHFFFAOYSA-N 1 3 341.456 -0.307 20 0 EBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001373757594 1136553966 /nfs/dbraw/zinc/55/39/66/1136553966.db2.gz HGAGGGALWXEXFO-NWDGAFQWSA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001373757600 1136554052 /nfs/dbraw/zinc/55/40/52/1136554052.db2.gz HGAGGGALWXEXFO-VXGBXAGGSA-N 1 3 341.456 -0.201 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787881 1136560442 /nfs/dbraw/zinc/56/04/42/1136560442.db2.gz GOKDTWUNKPWISY-STQMWFEESA-N 1 3 341.456 -0.212 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787881 1136560445 /nfs/dbraw/zinc/56/04/45/1136560445.db2.gz GOKDTWUNKPWISY-STQMWFEESA-N 1 3 341.456 -0.212 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832899 1136569477 /nfs/dbraw/zinc/56/94/77/1136569477.db2.gz SBXCJCWVKGZVHE-VXGBXAGGSA-N 1 3 339.440 -0.589 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832899 1136569478 /nfs/dbraw/zinc/56/94/78/1136569478.db2.gz SBXCJCWVKGZVHE-VXGBXAGGSA-N 1 3 339.440 -0.589 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001373972941 1136596812 /nfs/dbraw/zinc/59/68/12/1136596812.db2.gz PVRGGFQUIYTULE-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(=O)NC)CCCC1)N(C)C ZINC001374164076 1136642543 /nfs/dbraw/zinc/64/25/43/1136642543.db2.gz UZDCCLBUTDKUKB-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277719 1136664334 /nfs/dbraw/zinc/66/43/34/1136664334.db2.gz PZDPSHKBFWNAJC-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277719 1136664335 /nfs/dbraw/zinc/66/43/35/1136664335.db2.gz PZDPSHKBFWNAJC-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303739 1136670241 /nfs/dbraw/zinc/67/02/41/1136670241.db2.gz JNNFIPPQNHFSIZ-CYBMUJFWSA-N 1 3 341.456 -0.390 20 0 EBADHO CC(C)C[C@H](CNCC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374350320 1136677337 /nfs/dbraw/zinc/67/73/37/1136677337.db2.gz BGHFUQPAHHOGAW-CYBMUJFWSA-N 1 3 341.456 -0.356 20 0 EBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374606283 1136742496 /nfs/dbraw/zinc/74/24/96/1136742496.db2.gz SAGYGRTXKYTFSX-HZSPNIEDSA-N 1 3 338.456 -0.487 20 0 EBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374606283 1136742500 /nfs/dbraw/zinc/74/25/00/1136742500.db2.gz SAGYGRTXKYTFSX-HZSPNIEDSA-N 1 3 338.456 -0.487 20 0 EBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001374614078 1136747399 /nfs/dbraw/zinc/74/73/99/1136747399.db2.gz GHLXYMHVTOCQQG-LSDHHAIUSA-N 1 3 340.468 -0.452 20 0 EBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001374614078 1136747402 /nfs/dbraw/zinc/74/74/02/1136747402.db2.gz GHLXYMHVTOCQQG-LSDHHAIUSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374633596 1136763743 /nfs/dbraw/zinc/76/37/43/1136763743.db2.gz PKXZLQNNNYMASJ-CYBMUJFWSA-N 1 3 328.457 -0.548 20 0 EBADHO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N2CCCC2)C1=O ZINC001374635122 1136765066 /nfs/dbraw/zinc/76/50/66/1136765066.db2.gz VIVUUHAONKAGPW-KGLIPLIRSA-N 1 3 340.468 -0.452 20 0 EBADHO CN1CC[C@@H](NC[C@H](O)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001374680648 1136797747 /nfs/dbraw/zinc/79/77/47/1136797747.db2.gz BQLYVLBGYXFASC-UONOGXRCSA-N 1 3 326.441 -0.840 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001374681726 1136798127 /nfs/dbraw/zinc/79/81/27/1136798127.db2.gz DVLYLJSXRNWVIO-LSDHHAIUSA-N 1 3 340.468 -0.453 20 0 EBADHO CCN(C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687472 1136802627 /nfs/dbraw/zinc/80/26/27/1136802627.db2.gz ZZGKIDFYPDIIKO-JSGCOSHPSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN(C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001374687472 1136802631 /nfs/dbraw/zinc/80/26/31/1136802631.db2.gz ZZGKIDFYPDIIKO-JSGCOSHPSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001374828595 1136844123 /nfs/dbraw/zinc/84/41/23/1136844123.db2.gz MESFVLTVLQVYKL-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N1CCOCC1)[NH+](C)C ZINC001374834103 1136846507 /nfs/dbraw/zinc/84/65/07/1136846507.db2.gz RGHVMKMWMICSOV-UKRRQHHQSA-N 1 3 328.457 -0.474 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001374886772 1136864727 /nfs/dbraw/zinc/86/47/27/1136864727.db2.gz MBGPNAGVFSLUIR-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C)CC2)CCSC1 ZINC000340440637 282229471 /nfs/dbraw/zinc/22/94/71/282229471.db2.gz COUJJSJQXDJBRL-OAHLLOKOSA-N 1 3 328.482 -0.250 20 0 EBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000643558756 375901861 /nfs/dbraw/zinc/90/18/61/375901861.db2.gz XLQGIJFCGIGTRP-MJBXVCDLSA-N 1 3 326.441 -0.498 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCSC1 ZINC000642768971 376088005 /nfs/dbraw/zinc/08/80/05/376088005.db2.gz XUMPNJGJADKEAN-SWLSCSKDSA-N 1 3 328.482 -0.202 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)COC1CC[NH2+]CC1 ZINC000584050040 376061792 /nfs/dbraw/zinc/06/17/92/376061792.db2.gz GIXIYLPRDJFSMV-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642744612 376064902 /nfs/dbraw/zinc/06/49/02/376064902.db2.gz ZZZKCMQLUNEOMM-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CCF)C1 ZINC000625465229 376232507 /nfs/dbraw/zinc/23/25/07/376232507.db2.gz FYDHSQUDKJUAJB-AWEZNQCLSA-N 1 3 346.447 -0.475 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1(C)COC1 ZINC000625464623 376233238 /nfs/dbraw/zinc/23/32/38/376233238.db2.gz AJWGRHCJSZDCKC-UHFFFAOYSA-N 1 3 328.457 -0.567 20 0 EBADHO C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)CN1CCN(C)CC1 ZINC000564924769 376400942 /nfs/dbraw/zinc/40/09/42/376400942.db2.gz YFHVTOHFZBHIBM-HUUCEWRRSA-N 1 3 349.483 -0.357 20 0 EBADHO C[C@@H](Cn1cccn1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000559302733 376407137 /nfs/dbraw/zinc/40/71/37/376407137.db2.gz KQFQEMACKJVLBU-AWEZNQCLSA-N 1 3 338.456 -0.660 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000642809765 376361409 /nfs/dbraw/zinc/36/14/09/376361409.db2.gz NUDVTICJRUTUIM-BFHYXJOUSA-N 1 3 340.468 -0.202 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000642896760 376568978 /nfs/dbraw/zinc/56/89/78/376568978.db2.gz XEFHJUUPECBRAD-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000642912356 376713669 /nfs/dbraw/zinc/71/36/69/376713669.db2.gz AQOZMCFTFIPMNH-UONOGXRCSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079049431 376793094 /nfs/dbraw/zinc/79/30/94/376793094.db2.gz RJJJKAHEWYVLFZ-CYBMUJFWSA-N 1 3 325.457 -0.116 20 0 EBADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000562820309 377000735 /nfs/dbraw/zinc/00/07/35/377000735.db2.gz FIHVSFGEGKZRNV-CQSZACIVSA-N 1 3 348.451 -0.175 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000562958236 377061144 /nfs/dbraw/zinc/06/11/44/377061144.db2.gz MJFXKTGLJAKMEH-OAHLLOKOSA-N 1 3 341.500 -0.474 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642999666 377442838 /nfs/dbraw/zinc/44/28/38/377442838.db2.gz ZBEZUCGBXJLGKV-CABCVRRESA-N 1 3 339.484 -0.661 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000592560491 377844234 /nfs/dbraw/zinc/84/42/34/377844234.db2.gz XFVDCTAOEPLYRJ-UHFFFAOYSA-N 1 3 327.425 -0.244 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595270603 377988357 /nfs/dbraw/zinc/98/83/57/377988357.db2.gz FPOCBJDKXGSUQF-APIJFGDWSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595270603 377988360 /nfs/dbraw/zinc/98/83/60/377988360.db2.gz FPOCBJDKXGSUQF-APIJFGDWSA-N 1 3 335.452 -0.043 20 0 EBADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000627378014 378391739 /nfs/dbraw/zinc/39/17/39/378391739.db2.gz ZMKPUJFBKQRGPR-UHFFFAOYSA-N 1 3 348.447 -0.012 20 0 EBADHO CN(CCC[NH3+])C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000563454119 379028645 /nfs/dbraw/zinc/02/86/45/379028645.db2.gz ITDBSIOUIPPFJJ-UHFFFAOYSA-N 1 3 326.441 -0.445 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000563624201 379058794 /nfs/dbraw/zinc/05/87/94/379058794.db2.gz LZPXDGLVEPJDNP-HNNXBMFYSA-N 1 3 334.424 -0.471 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339964104 379110145 /nfs/dbraw/zinc/11/01/45/379110145.db2.gz JJINMPWSFQCQMU-UHFFFAOYSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629788336 379131947 /nfs/dbraw/zinc/13/19/47/379131947.db2.gz PGJFRJYVKROESO-QWRGUYRKSA-N 1 3 338.374 -0.008 20 0 EBADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000339980715 379118819 /nfs/dbraw/zinc/11/88/19/379118819.db2.gz LSNCZCJJRVFSJT-GFCCVEGCSA-N 1 3 327.429 -0.684 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000629808145 379150115 /nfs/dbraw/zinc/15/01/15/379150115.db2.gz GKDSIMFLKICQLZ-AWEZNQCLSA-N 1 3 340.468 -0.105 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407751 379171116 /nfs/dbraw/zinc/17/11/16/379171116.db2.gz KKFRTSGKXVYARJ-GJZGRUSLSA-N 1 3 349.483 -0.042 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320165 379322478 /nfs/dbraw/zinc/32/24/78/379322478.db2.gz TVXBGKQBXJNVHS-CQSZACIVSA-N 1 3 340.468 -0.009 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000627332321 379340026 /nfs/dbraw/zinc/34/00/26/379340026.db2.gz WSCKMVKYSRDODH-CQSZACIVSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312307 379303612 /nfs/dbraw/zinc/30/36/12/379303612.db2.gz WFGDDBGBXAJJLY-KBPBESRZSA-N 1 3 328.457 -0.343 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000627312170 379304269 /nfs/dbraw/zinc/30/42/69/379304269.db2.gz RFOHKULDTOLADA-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000641494746 379431393 /nfs/dbraw/zinc/43/13/93/379431393.db2.gz YSYZWVAGGNBOPA-ZFWWWQNUSA-N 1 3 335.452 -0.078 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000627376814 379572559 /nfs/dbraw/zinc/57/25/59/379572559.db2.gz OKRONOYDQPAVDN-ZDUSSCGKSA-N 1 3 326.441 -0.553 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[NH2+]1 ZINC000627370986 379572638 /nfs/dbraw/zinc/57/26/38/379572638.db2.gz SDARUFWXPZDJKI-XUJVJEKNSA-N 1 3 328.482 -0.203 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627453622 379606583 /nfs/dbraw/zinc/60/65/83/379606583.db2.gz SKMOQMCZCOEFQT-UHFFFAOYSA-N 1 3 326.441 -0.447 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCOCC1 ZINC000627455588 379606791 /nfs/dbraw/zinc/60/67/91/379606791.db2.gz ATUXWFMOKIOFOS-CQSZACIVSA-N 1 3 338.452 -0.303 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000627461080 379610892 /nfs/dbraw/zinc/61/08/92/379610892.db2.gz DMQKGQRNYNQQGK-UHFFFAOYSA-N 1 3 335.408 -0.918 20 0 EBADHO CO[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000564191381 379800025 /nfs/dbraw/zinc/80/00/25/379800025.db2.gz RSIHETKTZBUIDQ-ZIAGYGMSSA-N 1 3 342.484 -0.132 20 0 EBADHO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631901917 379770300 /nfs/dbraw/zinc/77/03/00/379770300.db2.gz BYAGKGRQKQCXCR-AWEZNQCLSA-N 1 3 346.497 -0.411 20 0 EBADHO O=S(=O)(CCCN1CCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000631938048 379787431 /nfs/dbraw/zinc/78/74/31/379787431.db2.gz RRVXUECQWWDNQY-OAHLLOKOSA-N 1 3 330.498 -0.218 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627212778 379840718 /nfs/dbraw/zinc/84/07/18/379840718.db2.gz BSRUKQWIKCBTPZ-UHFFFAOYSA-N 1 3 343.472 -0.453 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627152858 379818849 /nfs/dbraw/zinc/81/88/49/379818849.db2.gz HMLGBXKPVDCCLS-OAHLLOKOSA-N 1 3 339.484 -0.084 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627238376 379919226 /nfs/dbraw/zinc/91/92/26/379919226.db2.gz FZTLWVDAQMYKHI-UONOGXRCSA-N 1 3 325.457 -0.068 20 0 EBADHO COCCN1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000564208024 379977262 /nfs/dbraw/zinc/97/72/62/379977262.db2.gz MOWOWNWLXDJTQC-AWEZNQCLSA-N 1 3 336.440 -0.129 20 0 EBADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H](CC)[NH+](C)C)COC1)N(C)C ZINC000633917862 379978951 /nfs/dbraw/zinc/97/89/51/379978951.db2.gz XZOZCSIYWDYQJW-CHWSQXEVSA-N 1 3 328.457 -0.332 20 0 EBADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)COC1)N(C)C ZINC000633917862 379978954 /nfs/dbraw/zinc/97/89/54/379978954.db2.gz XZOZCSIYWDYQJW-CHWSQXEVSA-N 1 3 328.457 -0.332 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633087206 379930956 /nfs/dbraw/zinc/93/09/56/379930956.db2.gz HEJLKTNUYQIZEK-HNNXBMFYSA-N 1 3 341.500 -0.332 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086557 379931065 /nfs/dbraw/zinc/93/10/65/379931065.db2.gz WVVKBQOUNNHYLG-ZNMIVQPWSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086556 379931114 /nfs/dbraw/zinc/93/11/14/379931114.db2.gz WVVKBQOUNNHYLG-QLFBSQMISA-N 1 3 338.452 -0.482 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000545882986 380099828 /nfs/dbraw/zinc/09/98/28/380099828.db2.gz PPSSYZYIFRHRTE-INIZCTEOSA-N 1 3 327.473 -0.622 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638096608 380128225 /nfs/dbraw/zinc/12/82/25/380128225.db2.gz KNFQXZOEBYXJIP-WMLDXEAASA-N 1 3 340.468 -0.199 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CCC[NH+](C)C)CCSC1 ZINC000550837214 380260390 /nfs/dbraw/zinc/26/03/90/380260390.db2.gz YPSSRYLTXRCPDQ-HNNXBMFYSA-N 1 3 330.498 -0.050 20 0 EBADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000358506859 380236640 /nfs/dbraw/zinc/23/66/40/380236640.db2.gz UKOVNBOXDRMEJQ-KBPBESRZSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)CCCO1 ZINC000360918638 380275202 /nfs/dbraw/zinc/27/52/02/380275202.db2.gz JZYCHACAAYTZDZ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)CCCO1 ZINC000360918638 380275206 /nfs/dbraw/zinc/27/52/06/380275206.db2.gz JZYCHACAAYTZDZ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO COc1cnc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000565076329 380398016 /nfs/dbraw/zinc/39/80/16/380398016.db2.gz HRROSAMTCXMQFT-UHFFFAOYSA-N 1 3 338.412 -0.625 20 0 EBADHO C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000362564385 380411516 /nfs/dbraw/zinc/41/15/16/380411516.db2.gz KERNBHIAQCTRIQ-LSDHHAIUSA-N 1 3 349.483 -0.184 20 0 EBADHO CN(C)[C@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000566570438 380482421 /nfs/dbraw/zinc/48/24/21/380482421.db2.gz JAPSPJCHRMEAMT-BQFCYCMXSA-N 1 3 333.432 -0.243 20 0 EBADHO CN(C)[C@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000566570438 380482429 /nfs/dbraw/zinc/48/24/29/380482429.db2.gz JAPSPJCHRMEAMT-BQFCYCMXSA-N 1 3 333.432 -0.243 20 0 EBADHO CN(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000566570440 380482493 /nfs/dbraw/zinc/48/24/93/380482493.db2.gz JAPSPJCHRMEAMT-XYJFISCASA-N 1 3 333.432 -0.243 20 0 EBADHO CN(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000566570440 380482501 /nfs/dbraw/zinc/48/25/01/380482501.db2.gz JAPSPJCHRMEAMT-XYJFISCASA-N 1 3 333.432 -0.243 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000367821552 380482996 /nfs/dbraw/zinc/48/29/96/380482996.db2.gz SLKDAAYMXHFUIQ-UHFFFAOYSA-N 1 3 349.483 -0.209 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340509939 380524975 /nfs/dbraw/zinc/52/49/75/380524975.db2.gz GKROZZYJQGDHHX-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340509939 380524979 /nfs/dbraw/zinc/52/49/79/380524979.db2.gz GKROZZYJQGDHHX-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568902170 380623350 /nfs/dbraw/zinc/62/33/50/380623350.db2.gz XOXBTLSCMPPQHD-XWNMQXIPSA-N 1 3 336.436 -0.711 20 0 EBADHO CN(CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000341165349 380674917 /nfs/dbraw/zinc/67/49/17/380674917.db2.gz WDZLROGPXYQSIS-CYBMUJFWSA-N 1 3 325.457 -0.033 20 0 EBADHO CN(CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000341165349 380674923 /nfs/dbraw/zinc/67/49/23/380674923.db2.gz WDZLROGPXYQSIS-CYBMUJFWSA-N 1 3 325.457 -0.033 20 0 EBADHO CC(C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)N1CCN(C)CC1 ZINC000121161733 380705712 /nfs/dbraw/zinc/70/57/12/380705712.db2.gz LHHUOCKXNQKOIJ-RDJZCZTQSA-N 1 3 343.516 -0.130 20 0 EBADHO N[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)C1CCC1 ZINC000574277189 380706859 /nfs/dbraw/zinc/70/68/59/380706859.db2.gz MNZJCYDYQMFPST-ZDUSSCGKSA-N 1 3 326.422 -0.011 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000343016543 380770099 /nfs/dbraw/zinc/77/00/99/380770099.db2.gz URHXOHVPKKMRQG-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580645097 380806292 /nfs/dbraw/zinc/80/62/92/380806292.db2.gz SYTPVHQXNMNFTR-CABCVRRESA-N 1 3 340.468 -0.546 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)C[C@@H](C)O1 ZINC000577179411 380810257 /nfs/dbraw/zinc/81/02/57/380810257.db2.gz WFPHWUFGIBDDCR-VQHPVUNQSA-N 1 3 329.485 -0.107 20 0 EBADHO OC[C@H]1CC[N@@H+](CCCCCN2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000577321085 380818504 /nfs/dbraw/zinc/81/85/04/380818504.db2.gz OUEXHSLVGDXSDM-ZYGGUILKSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CC[N@H+](CCCCCN2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000577321085 380818511 /nfs/dbraw/zinc/81/85/11/380818511.db2.gz OUEXHSLVGDXSDM-ZYGGUILKSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000577321085 380818517 /nfs/dbraw/zinc/81/85/17/380818517.db2.gz OUEXHSLVGDXSDM-ZYGGUILKSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000577321085 380818526 /nfs/dbraw/zinc/81/85/26/380818526.db2.gz OUEXHSLVGDXSDM-ZYGGUILKSA-N 1 3 330.469 -0.493 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417432240 380885791 /nfs/dbraw/zinc/88/57/91/380885791.db2.gz SNMPUIVVYILYDJ-UONOGXRCSA-N 1 3 325.457 -0.020 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417429816 380885845 /nfs/dbraw/zinc/88/58/45/380885845.db2.gz NWNYAHGVXACMGU-KBPBESRZSA-N 1 3 325.457 -0.034 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417429819 380886021 /nfs/dbraw/zinc/88/60/21/380886021.db2.gz NWNYAHGVXACMGU-ZIAGYGMSSA-N 1 3 325.457 -0.034 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417431639 380887164 /nfs/dbraw/zinc/88/71/64/380887164.db2.gz RJVOGXHKHSCQGV-KBPBESRZSA-N 1 3 325.457 -0.034 20 0 EBADHO CCN(C)CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)CC)O1 ZINC000189498601 380905202 /nfs/dbraw/zinc/90/52/02/380905202.db2.gz HCHITGZLZNCSSP-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C)CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CC)O1 ZINC000189498601 380905211 /nfs/dbraw/zinc/90/52/11/380905211.db2.gz HCHITGZLZNCSSP-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C)CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)CC)O1 ZINC000189498601 380905220 /nfs/dbraw/zinc/90/52/20/380905220.db2.gz HCHITGZLZNCSSP-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C)CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)CC)O1 ZINC000189498601 380905233 /nfs/dbraw/zinc/90/52/33/380905233.db2.gz HCHITGZLZNCSSP-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578338101 380923076 /nfs/dbraw/zinc/92/30/76/380923076.db2.gz JVOAFOOCSMKYQP-UHFFFAOYSA-N 1 3 342.484 -0.083 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578338101 380923090 /nfs/dbraw/zinc/92/30/90/380923090.db2.gz JVOAFOOCSMKYQP-UHFFFAOYSA-N 1 3 342.484 -0.083 20 0 EBADHO Cc1cnccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000579337652 380981732 /nfs/dbraw/zinc/98/17/32/380981732.db2.gz SXJLJEAHCHMTML-UHFFFAOYSA-N 1 3 335.452 -0.042 20 0 EBADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579973716 381029290 /nfs/dbraw/zinc/02/92/90/381029290.db2.gz IJIGIRROCWFPOZ-MGPQQGTHSA-N 1 3 325.457 -0.084 20 0 EBADHO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000579573118 380996050 /nfs/dbraw/zinc/99/60/50/380996050.db2.gz SZRVOPYLVHXDFG-UHFFFAOYSA-N 1 3 334.420 -0.279 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCN1CCCS1(=O)=O ZINC000617505045 381033889 /nfs/dbraw/zinc/03/38/89/381033889.db2.gz UUYXIOURMIBOOO-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCN1CCCS1(=O)=O ZINC000617505045 381033891 /nfs/dbraw/zinc/03/38/91/381033891.db2.gz UUYXIOURMIBOOO-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617508021 381037292 /nfs/dbraw/zinc/03/72/92/381037292.db2.gz RYVFARSDKRANRG-QWHCGFSZSA-N 1 3 336.502 -0.298 20 0 EBADHO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617508021 381037295 /nfs/dbraw/zinc/03/72/95/381037295.db2.gz RYVFARSDKRANRG-QWHCGFSZSA-N 1 3 336.502 -0.298 20 0 EBADHO CN(CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000074345153 381039106 /nfs/dbraw/zinc/03/91/06/381039106.db2.gz WDZLROGPXYQSIS-ZDUSSCGKSA-N 1 3 325.457 -0.033 20 0 EBADHO CN(CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000074345153 381039112 /nfs/dbraw/zinc/03/91/12/381039112.db2.gz WDZLROGPXYQSIS-ZDUSSCGKSA-N 1 3 325.457 -0.033 20 0 EBADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580942678 381044720 /nfs/dbraw/zinc/04/47/20/381044720.db2.gz NAOSFPLBABUSNE-MRXNPFEDSA-N 1 3 345.447 -0.018 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642439960 381094320 /nfs/dbraw/zinc/09/43/20/381094320.db2.gz UAPBBXLPXPLJBG-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642439961 381095171 /nfs/dbraw/zinc/09/51/71/381095171.db2.gz UAPBBXLPXPLJBG-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418398034 381122715 /nfs/dbraw/zinc/12/27/15/381122715.db2.gz DSFIOFHXZHHKRN-CQSZACIVSA-N 1 3 325.457 -0.081 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000639949634 381157440 /nfs/dbraw/zinc/15/74/40/381157440.db2.gz LUHGDCMOKHQUPB-IAGOWNOFSA-N 1 3 336.436 -0.429 20 0 EBADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418391398 381123837 /nfs/dbraw/zinc/12/38/37/381123837.db2.gz VKKOLSOCEPVMOP-HOTGVXAUSA-N 1 3 347.463 -0.063 20 0 EBADHO O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757155 381261707 /nfs/dbraw/zinc/26/17/07/381261707.db2.gz DJWRYHHSRWMPEL-IKGGRYGDSA-N 1 3 348.447 -0.091 20 0 EBADHO CN(C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855285 381306188 /nfs/dbraw/zinc/30/61/88/381306188.db2.gz URNNPCHUYFUMOL-JKSUJKDBSA-N 1 3 348.447 -0.538 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000564064833 381322997 /nfs/dbraw/zinc/32/29/97/381322997.db2.gz LYLOVANEULJEHZ-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418877206 381326658 /nfs/dbraw/zinc/32/66/58/381326658.db2.gz IGSAYXZZZICGSY-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419033172 381357733 /nfs/dbraw/zinc/35/77/33/381357733.db2.gz XZQLGNZNHHCHBY-LXTVHRRPSA-N 1 3 340.468 -0.345 20 0 EBADHO COc1nc(NCC2(N(C)C)CC2)nc(NCC2([NH+](C)C)CC2)n1 ZINC000419010470 381362593 /nfs/dbraw/zinc/36/25/93/381362593.db2.gz PSPSXRKAQZGCTF-UHFFFAOYSA-N 1 3 335.456 -0.264 20 0 EBADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCNC(C)(C)C2)CC1 ZINC000419184435 381403983 /nfs/dbraw/zinc/40/39/83/381403983.db2.gz FTDIEZOTMVXPQE-UHFFFAOYSA-N 1 3 339.484 -0.661 20 0 EBADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)CC(C)C ZINC000419128001 381388194 /nfs/dbraw/zinc/38/81/94/381388194.db2.gz UNFAPLLLSBMHRV-HUUCEWRRSA-N 1 3 342.484 -0.036 20 0 EBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419133641 381389165 /nfs/dbraw/zinc/38/91/65/381389165.db2.gz GEAWEZXSYPULPU-CQSZACIVSA-N 1 3 334.420 -0.197 20 0 EBADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419168095 381390238 /nfs/dbraw/zinc/39/02/38/381390238.db2.gz JZTIWCFIHGWUTJ-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419145783 381397938 /nfs/dbraw/zinc/39/79/38/381397938.db2.gz HCEYUCKGKUHRNS-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CCO1 ZINC000419222315 381402137 /nfs/dbraw/zinc/40/21/37/381402137.db2.gz BNXHXUCCTNLZJZ-GJZGRUSLSA-N 1 3 338.452 -0.447 20 0 EBADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419401296 381426296 /nfs/dbraw/zinc/42/62/96/381426296.db2.gz APBHHIXKQXPQOJ-KBPBESRZSA-N 1 3 328.457 -0.750 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)[C@H](C[NH3+])C1 ZINC000419419942 381433962 /nfs/dbraw/zinc/43/39/62/381433962.db2.gz JKRAVPDVVHIJBE-QLFBSQMISA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419574765 381454926 /nfs/dbraw/zinc/45/49/26/381454926.db2.gz ABBDQCSFULTPRV-JMSVASOKSA-N 1 3 328.482 -0.346 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419595731 381461849 /nfs/dbraw/zinc/46/18/49/381461849.db2.gz XBQXNGPAAZQJQA-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000419662138 381466715 /nfs/dbraw/zinc/46/67/15/381466715.db2.gz GXTLVDIJYNHNEW-AWEZNQCLSA-N 1 3 328.457 -0.284 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419672635 381468621 /nfs/dbraw/zinc/46/86/21/381468621.db2.gz GMMSRZRJRVWXPF-KGLIPLIRSA-N 1 3 328.457 -0.295 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419783965 381493839 /nfs/dbraw/zinc/49/38/39/381493839.db2.gz WCMIKOCWUQRGLU-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419831260 381499684 /nfs/dbraw/zinc/49/96/84/381499684.db2.gz HHMIQNUUNZEVPA-OKILXGFUSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419831260 381499693 /nfs/dbraw/zinc/49/96/93/381499693.db2.gz HHMIQNUUNZEVPA-OKILXGFUSA-N 1 3 325.457 -0.922 20 0 EBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH3+] ZINC000419840168 381501064 /nfs/dbraw/zinc/50/10/64/381501064.db2.gz RVAXLYRVFLPGFL-GOSISDBHSA-N 1 3 348.447 -0.453 20 0 EBADHO C[C@@H](O)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000582227323 381621243 /nfs/dbraw/zinc/62/12/43/381621243.db2.gz DGXQLKFPNBNOEW-CQSZACIVSA-N 1 3 342.484 -0.442 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351676596 381662725 /nfs/dbraw/zinc/66/27/25/381662725.db2.gz UTDXPGBNPPOTEL-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000627395001 381800147 /nfs/dbraw/zinc/80/01/47/381800147.db2.gz XILCELFBOVLSKQ-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1nc2ccccn2c1=O ZINC000116752614 381782925 /nfs/dbraw/zinc/78/29/25/381782925.db2.gz WSRDICCXNUHTQM-UHFFFAOYSA-N 1 3 348.451 -0.162 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000643503546 381914714 /nfs/dbraw/zinc/91/47/14/381914714.db2.gz VOVARWKMURPGGA-HNNXBMFYSA-N 1 3 338.452 -0.351 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000626901103 381926412 /nfs/dbraw/zinc/92/64/12/381926412.db2.gz MJTZPIKCWJJSEY-CALCHBBNSA-N 1 3 348.451 -0.159 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643509546 381928311 /nfs/dbraw/zinc/92/83/11/381928311.db2.gz PHBVVUOGUIZANL-GJZGRUSLSA-N 1 3 339.484 -0.851 20 0 EBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000643516786 382021817 /nfs/dbraw/zinc/02/18/17/382021817.db2.gz VCADIJJVACKIFX-BZUAXINKSA-N 1 3 349.479 -0.812 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000563946426 382093635 /nfs/dbraw/zinc/09/36/35/382093635.db2.gz BKDUUCRWMMCKOK-GJZGRUSLSA-N 1 3 339.484 -0.676 20 0 EBADHO CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446100963 382176074 /nfs/dbraw/zinc/17/60/74/382176074.db2.gz RJHSVVBXFVMVCY-SFHVURJKSA-N 1 3 348.447 -0.088 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCSC1 ZINC000331406185 155367637 /nfs/dbraw/zinc/36/76/37/155367637.db2.gz BDCPMGAOOSPNMK-IOASZLSFSA-N 1 3 340.493 -0.392 20 0 EBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCn2nc3ccccn3c2=O)C1 ZINC000261597631 154194029 /nfs/dbraw/zinc/19/40/29/154194029.db2.gz ADWLVIIUHIQTKK-ZDUSSCGKSA-N 1 3 332.408 -0.717 20 0 EBADHO CNC(=O)NC(=O)CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261652301 154196390 /nfs/dbraw/zinc/19/63/90/154196390.db2.gz JTDFSBUTGUUVOC-OLZOCXBDSA-N 1 3 339.440 -0.588 20 0 EBADHO CN1CCN(c2ncc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cn2)CC1 ZINC000262173128 154216935 /nfs/dbraw/zinc/21/69/35/154216935.db2.gz VLIUNSKVGFVCIZ-KRWDZBQOSA-N 1 3 345.495 -0.292 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000263248069 154256678 /nfs/dbraw/zinc/25/66/78/154256678.db2.gz NOXVANPPEJEYMT-INIZCTEOSA-N 1 3 341.500 -0.524 20 0 EBADHO Cn1c2ncn(CCN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000342090288 156007049 /nfs/dbraw/zinc/00/70/49/156007049.db2.gz SOOTYAPIMUAIAD-XQQFMLRXSA-N 1 3 346.435 -0.507 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000342351515 156029450 /nfs/dbraw/zinc/02/94/50/156029450.db2.gz SBMGBCSXLBYMIZ-LBPRGKRZSA-N 1 3 339.488 -0.250 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000343143130 156105099 /nfs/dbraw/zinc/10/50/99/156105099.db2.gz OJTHFXMOMSAWNA-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1CCN(CCO)CC1 ZINC000344641868 156250103 /nfs/dbraw/zinc/25/01/03/156250103.db2.gz PFEUHRQEWDUXPU-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000358727387 157275108 /nfs/dbraw/zinc/27/51/08/157275108.db2.gz VXBUCOFVZVDIEG-MRXNPFEDSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCC[C@@H](C)C1 ZINC000360277336 157371360 /nfs/dbraw/zinc/37/13/60/157371360.db2.gz AXQSKLWZAOUOFV-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278391 157371493 /nfs/dbraw/zinc/37/14/93/157371493.db2.gz IWAYSNNMKUCPAS-OCCSQVGLSA-N 1 3 326.441 -0.720 20 0 EBADHO COCCN1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000530641799 418965071 /nfs/dbraw/zinc/96/50/71/418965071.db2.gz NOJYWADTHBTBQS-AWEZNQCLSA-N 1 3 328.457 -0.567 20 0 EBADHO CC[NH+]1CCC(NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000650569529 419027066 /nfs/dbraw/zinc/02/70/66/419027066.db2.gz ZGPHLRLIXRCGRO-UHFFFAOYSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000653114063 418987808 /nfs/dbraw/zinc/98/78/08/418987808.db2.gz XCJMMXZRLKFDIV-INIZCTEOSA-N 1 3 349.479 -0.127 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000665760298 419009946 /nfs/dbraw/zinc/00/99/46/419009946.db2.gz FPNJQLYBRCGQEL-GOEBONIOSA-N 1 3 329.489 -0.376 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000652695487 419180512 /nfs/dbraw/zinc/18/05/12/419180512.db2.gz VQXXERHREFHVIJ-UHFFFAOYSA-N 1 3 339.484 -0.658 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652671852 419247063 /nfs/dbraw/zinc/24/70/63/419247063.db2.gz QLUGWRZQSWTEIA-AAVRWANBSA-N 1 3 326.441 -0.593 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000652686662 419255714 /nfs/dbraw/zinc/25/57/14/419255714.db2.gz MEFWSNQELZPOES-YRGRVCCFSA-N 1 3 326.441 -0.593 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652687955 419259804 /nfs/dbraw/zinc/25/98/04/419259804.db2.gz RHWLMDLWUNQXBF-QLFBSQMISA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000652624593 419241238 /nfs/dbraw/zinc/24/12/38/419241238.db2.gz LACNBEGMTIOFNQ-QWHCGFSZSA-N 1 3 336.440 -0.174 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000652629589 419241678 /nfs/dbraw/zinc/24/16/78/419241678.db2.gz NMGHIGQTLILJKV-GUYCJALGSA-N 1 3 348.451 -0.029 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000652623217 419241986 /nfs/dbraw/zinc/24/19/86/419241986.db2.gz CSFXBRTWESZTDI-TZMCWYRMSA-N 1 3 334.424 -0.406 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000652622181 419242028 /nfs/dbraw/zinc/24/20/28/419242028.db2.gz COWMMMLVSKOCKX-QEJZJMRPSA-N 1 3 348.451 -0.031 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000652623207 419242059 /nfs/dbraw/zinc/24/20/59/419242059.db2.gz CQDVOQKEYPAOEB-ZDUSSCGKSA-N 1 3 336.440 -0.029 20 0 EBADHO COCCN1CC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000645233286 419300333 /nfs/dbraw/zinc/30/03/33/419300333.db2.gz KWYPNQORCPCCCY-KBPBESRZSA-N 1 3 341.456 -0.532 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000346537426 419486651 /nfs/dbraw/zinc/48/66/51/419486651.db2.gz UICBIRSNWXEMQG-HIFRSBDPSA-N 1 3 340.468 -0.378 20 0 EBADHO CCCN1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612008 419569480 /nfs/dbraw/zinc/56/94/80/419569480.db2.gz VJIITCFYMIETOJ-ZIAGYGMSSA-N 1 3 325.457 -0.033 20 0 EBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@]2(F)CCNC2)c1 ZINC000370265467 419708677 /nfs/dbraw/zinc/70/86/77/419708677.db2.gz HVZTYVUUZIZGMB-CYBMUJFWSA-N 1 3 330.385 -0.436 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420013021 419831391 /nfs/dbraw/zinc/83/13/91/419831391.db2.gz BMLOWXMPECIBMW-UONOGXRCSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420018490 419831836 /nfs/dbraw/zinc/83/18/36/419831836.db2.gz POZIZMJZCBGGCA-MELADBBJSA-N 1 3 340.468 -0.202 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721821 419793493 /nfs/dbraw/zinc/79/34/93/419793493.db2.gz ISWCSILGHPCXKK-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659721821 419793500 /nfs/dbraw/zinc/79/35/00/419793500.db2.gz ISWCSILGHPCXKK-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO CN(CCN)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423270252 419928025 /nfs/dbraw/zinc/92/80/25/419928025.db2.gz HYKYCQVMJNNNTA-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO CN(CCN)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423270252 419928031 /nfs/dbraw/zinc/92/80/31/419928031.db2.gz HYKYCQVMJNNNTA-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423262586 419924749 /nfs/dbraw/zinc/92/47/49/419924749.db2.gz MUFJYEURBNXXBT-GASCZTMLSA-N 1 3 340.468 -0.519 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423262228 419926442 /nfs/dbraw/zinc/92/64/42/419926442.db2.gz MBDOEAGDCBLNPS-KGLIPLIRSA-N 1 3 328.457 -0.391 20 0 EBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000515158206 419976820 /nfs/dbraw/zinc/97/68/20/419976820.db2.gz KZTRTBZVAYZYFI-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000515158204 419979122 /nfs/dbraw/zinc/97/91/22/419979122.db2.gz KZTRTBZVAYZYFI-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000649350678 420805259 /nfs/dbraw/zinc/80/52/59/420805259.db2.gz YJTPRUZEUGULAP-CABCVRRESA-N 1 3 349.483 -0.214 20 0 EBADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000656696499 420900489 /nfs/dbraw/zinc/90/04/89/420900489.db2.gz HKPAOLSEBBFBCE-INIZCTEOSA-N 1 3 326.485 -0.073 20 0 EBADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000656696499 420900491 /nfs/dbraw/zinc/90/04/91/420900491.db2.gz HKPAOLSEBBFBCE-INIZCTEOSA-N 1 3 326.485 -0.073 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022484 420867235 /nfs/dbraw/zinc/86/72/35/420867235.db2.gz HHOYTDDVVMDEKD-WUHRBBMRSA-N 1 3 326.441 -0.328 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656025383 420868825 /nfs/dbraw/zinc/86/88/25/420868825.db2.gz JCFOTODKLMKCOT-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659713022 421018343 /nfs/dbraw/zinc/01/83/43/421018343.db2.gz AAUZUNXDPVMEIU-LSDHHAIUSA-N 1 3 338.452 -0.386 20 0 EBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659725533 421023398 /nfs/dbraw/zinc/02/33/98/421023398.db2.gz XZMWAWFWWHEGPT-AWEZNQCLSA-N 1 3 340.468 -0.010 20 0 EBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659731085 421024771 /nfs/dbraw/zinc/02/47/71/421024771.db2.gz XXFPEEGYOIVJBR-MRXNPFEDSA-N 1 3 345.447 -0.031 20 0 EBADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337636 421085576 /nfs/dbraw/zinc/08/55/76/421085576.db2.gz MKCJDQDKZAURQD-YOEHRIQHSA-N 1 3 336.484 -0.031 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662709297 421097242 /nfs/dbraw/zinc/09/72/42/421097242.db2.gz AMQMCCHOAIADNP-IHRRRGAJSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662709295 421097633 /nfs/dbraw/zinc/09/76/33/421097633.db2.gz AMQMCCHOAIADNP-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423266836 264992097 /nfs/dbraw/zinc/99/20/97/264992097.db2.gz SIGNFZURHMEHCC-CQSZACIVSA-N 1 3 328.457 -0.390 20 0 EBADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423418500 265002989 /nfs/dbraw/zinc/00/29/89/265002989.db2.gz UQVGPMPXQUGBNC-CQSZACIVSA-N 1 3 328.457 -0.247 20 0 EBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423722723 265037475 /nfs/dbraw/zinc/03/74/75/265037475.db2.gz PUTMRWXJXYDDEU-ZIAGYGMSSA-N 1 3 339.484 -0.581 20 0 EBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423722720 265038443 /nfs/dbraw/zinc/03/84/43/265038443.db2.gz PUTMRWXJXYDDEU-KBPBESRZSA-N 1 3 339.484 -0.581 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424494132 265068873 /nfs/dbraw/zinc/06/88/73/265068873.db2.gz MMAZDGFEZIWBCK-LSDHHAIUSA-N 1 3 348.451 -0.774 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420114508 272820000 /nfs/dbraw/zinc/82/00/00/272820000.db2.gz ZEJTVFRHNYLCDL-INIZCTEOSA-N 1 3 328.457 -0.471 20 0 EBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000332347037 289290122 /nfs/dbraw/zinc/29/01/22/289290122.db2.gz AFHJVVOYHCZZJF-HUUCEWRRSA-N 1 3 337.468 -0.955 20 0 EBADHO CN1CCN(C(=O)CCN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000669931703 545955216 /nfs/dbraw/zinc/95/52/16/545955216.db2.gz UGMOBSMHYBLVIT-KRWDZBQOSA-N 1 3 337.512 -0.138 20 0 EBADHO CN1CCN(C(=O)CCN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000669931703 545955217 /nfs/dbraw/zinc/95/52/17/545955217.db2.gz UGMOBSMHYBLVIT-KRWDZBQOSA-N 1 3 337.512 -0.138 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806657282 582535865 /nfs/dbraw/zinc/53/58/65/582535865.db2.gz YQELBQOIPDIJDC-UHFFFAOYSA-N 1 3 344.456 -0.794 20 0 EBADHO C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000891938937 582563621 /nfs/dbraw/zinc/56/36/21/582563621.db2.gz BNYWBBBPTUAREN-RVMXOQNASA-N 1 3 325.413 -0.487 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892687347 582585730 /nfs/dbraw/zinc/58/57/30/582585730.db2.gz KFAYRYZIPNNQLW-HUUCEWRRSA-N 1 3 328.457 -0.195 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892687347 582585732 /nfs/dbraw/zinc/58/57/32/582585732.db2.gz KFAYRYZIPNNQLW-HUUCEWRRSA-N 1 3 328.457 -0.195 20 0 EBADHO C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894367245 582629405 /nfs/dbraw/zinc/62/94/05/582629405.db2.gz RLTQLQTZHXYKRC-HUUCEWRRSA-N 1 3 328.457 -0.195 20 0 EBADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000866920787 582676493 /nfs/dbraw/zinc/67/64/93/582676493.db2.gz HJWIUSADSIQFIG-LRDDRELGSA-N 1 3 346.472 -0.130 20 0 EBADHO CC1(C)C[NH2+]CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000902318321 582801857 /nfs/dbraw/zinc/80/18/57/582801857.db2.gz HALDLKIEDSXHJN-CQSZACIVSA-N 1 3 332.514 -0.069 20 0 EBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@@H]21 ZINC000903775887 582819940 /nfs/dbraw/zinc/81/99/40/582819940.db2.gz HOXMPGUGOSAUCD-KKOKHZNYSA-N 1 3 348.369 -0.113 20 0 EBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@@H]21 ZINC000903775887 582819942 /nfs/dbraw/zinc/81/99/42/582819942.db2.gz HOXMPGUGOSAUCD-KKOKHZNYSA-N 1 3 348.369 -0.113 20 0 EBADHO Cc1c(C[C@H](CN)C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933937 582823809 /nfs/dbraw/zinc/82/38/09/582823809.db2.gz BKRAQCGRXBIHMU-DQYPLSBCSA-N 1 3 333.436 -0.169 20 0 EBADHO C[C@H]1CN(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000741085193 583069287 /nfs/dbraw/zinc/06/92/87/583069287.db2.gz MMLAXMZEIBCICV-HNNXBMFYSA-N 1 3 329.489 -0.158 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111501 583516041 /nfs/dbraw/zinc/51/60/41/583516041.db2.gz ZTNRBADYIAVJAC-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCCCC1 ZINC000793721047 583569301 /nfs/dbraw/zinc/56/93/01/583569301.db2.gz PPCJLNOZMMMRKN-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000820848305 583781795 /nfs/dbraw/zinc/78/17/95/583781795.db2.gz QLNSMRUCDCTKCU-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000820848305 583781796 /nfs/dbraw/zinc/78/17/96/583781796.db2.gz QLNSMRUCDCTKCU-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842165539 584058821 /nfs/dbraw/zinc/05/88/21/584058821.db2.gz ZBOANASRNDLQFF-XGUBFFRZSA-N 1 3 338.452 -0.306 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)CCNC1=S ZINC000847446540 584138956 /nfs/dbraw/zinc/13/89/56/584138956.db2.gz PHWBIYSBEZIIPX-UHFFFAOYSA-N 1 3 343.497 -0.565 20 0 EBADHO CN1CCN(CCNC(=[NH2+])NCCCN2CCOCC2)CC1(C)C ZINC000849108212 584165990 /nfs/dbraw/zinc/16/59/90/584165990.db2.gz KWKDDOMCUKTQHA-UHFFFAOYSA-N 1 3 340.516 -0.151 20 0 EBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)NC(C)C ZINC000849104030 584166008 /nfs/dbraw/zinc/16/60/08/584166008.db2.gz JKPGXWPNUQMLID-LBPRGKRZSA-N 1 3 334.490 -0.583 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000851684939 584198283 /nfs/dbraw/zinc/19/82/83/584198283.db2.gz NLJXLHMAZJCKGK-OCCSQVGLSA-N 1 3 326.441 -0.530 20 0 EBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000857102382 584274494 /nfs/dbraw/zinc/27/44/94/584274494.db2.gz QUXNXJKQNHUCKL-OEUWWYETSA-N 1 3 336.436 -0.694 20 0 EBADHO C[C@@H](CN1CCOCC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548008 584372935 /nfs/dbraw/zinc/37/29/35/584372935.db2.gz NBOKWKFAPYZQKQ-IMJJTQAJSA-N 1 3 338.452 -0.036 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867442566 584408255 /nfs/dbraw/zinc/40/82/55/584408255.db2.gz IUXYLSPJRINMSZ-GJZGRUSLSA-N 1 3 340.468 -0.424 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867442566 584408257 /nfs/dbraw/zinc/40/82/57/584408257.db2.gz IUXYLSPJRINMSZ-GJZGRUSLSA-N 1 3 340.468 -0.424 20 0 EBADHO O=C([C@H]1CNCCC1(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303491 584461574 /nfs/dbraw/zinc/46/15/74/584461574.db2.gz INKHJBFZJUDBRB-KKOKHZNYSA-N 1 3 344.362 -0.375 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875263028 584495739 /nfs/dbraw/zinc/49/57/39/584495739.db2.gz JEDBWVYXWODALE-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875263028 584495740 /nfs/dbraw/zinc/49/57/40/584495740.db2.gz JEDBWVYXWODALE-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875263030 584495797 /nfs/dbraw/zinc/49/57/97/584495797.db2.gz JEDBWVYXWODALE-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875263030 584495799 /nfs/dbraw/zinc/49/57/99/584495799.db2.gz JEDBWVYXWODALE-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876745967 584522091 /nfs/dbraw/zinc/52/20/91/584522091.db2.gz HIVVPSCFRHXFLQ-OAGGEKHMSA-N 1 3 325.501 -0.108 20 0 EBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000876771447 584523261 /nfs/dbraw/zinc/52/32/61/584523261.db2.gz SHFBBSCRRDHVGS-BCBDKAHJSA-N 1 3 348.451 -0.089 20 0 EBADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)NC1CNC1 ZINC000883606400 584603432 /nfs/dbraw/zinc/60/34/32/584603432.db2.gz RGBJALXFCBQQJI-MRXNPFEDSA-N 1 3 343.431 -0.003 20 0 EBADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)NC1CNC1 ZINC000883606400 584603434 /nfs/dbraw/zinc/60/34/34/584603434.db2.gz RGBJALXFCBQQJI-MRXNPFEDSA-N 1 3 343.431 -0.003 20 0 EBADHO CO[C@@H](CN)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423434 584623303 /nfs/dbraw/zinc/62/33/03/584623303.db2.gz VYHQUGOQYALNGF-OCCSQVGLSA-N 1 3 336.440 -0.501 20 0 EBADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000884560134 584627276 /nfs/dbraw/zinc/62/72/76/584627276.db2.gz OAQAHPQHRGINOE-ZIAGYGMSSA-N 1 3 338.452 -0.304 20 0 EBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000884560453 584627701 /nfs/dbraw/zinc/62/77/01/584627701.db2.gz XZDWUGRCXFXIJM-KBUPBQIOSA-N 1 3 338.452 -0.401 20 0 EBADHO CCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[C@H]1CC[NH2+]C1 ZINC000884612328 584629826 /nfs/dbraw/zinc/62/98/26/584629826.db2.gz JKSBCTGJQPTGRC-WFASDCNBSA-N 1 3 328.482 -0.250 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000884612529 584629996 /nfs/dbraw/zinc/62/99/96/584629996.db2.gz NJFCZHDUORUHKM-ZOWXZIJZSA-N 1 3 326.466 -0.497 20 0 EBADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631273 584630653 /nfs/dbraw/zinc/63/06/53/584630653.db2.gz FHAATJZJOFKLMC-OLZOCXBDSA-N 1 3 344.406 -0.052 20 0 EBADHO O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884640029 584631133 /nfs/dbraw/zinc/63/11/33/584631133.db2.gz RPBPWOXGWDLDHX-KBPBESRZSA-N 1 3 336.436 -0.680 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675244 584632890 /nfs/dbraw/zinc/63/28/90/584632890.db2.gz WZUWVIUYTMJCRL-ZDUSSCGKSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678539 584633717 /nfs/dbraw/zinc/63/37/17/584633717.db2.gz FFXZAGNSBMDPAM-SWLSCSKDSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1c1ccncc1 ZINC000884688284 584634410 /nfs/dbraw/zinc/63/44/10/584634410.db2.gz XXXYRNCAEIMHRG-UONOGXRCSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000884726618 584636605 /nfs/dbraw/zinc/63/66/05/584636605.db2.gz XWGOSZZXSORHHC-HIFRSBDPSA-N 1 3 347.419 -0.777 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885279212 584646802 /nfs/dbraw/zinc/64/68/02/584646802.db2.gz AINPHPLNLKFBRX-GFCCVEGCSA-N 1 3 332.395 -0.098 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000887091198 584676412 /nfs/dbraw/zinc/67/64/12/584676412.db2.gz DATGSYBNMAAQJY-SOUVJXGZSA-N 1 3 343.431 -0.204 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423263835 650009645 /nfs/dbraw/zinc/00/96/45/650009645.db2.gz PCYZJSTYXQTDAV-INIZCTEOSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911054490 650147887 /nfs/dbraw/zinc/14/78/87/650147887.db2.gz INIFDHBRLXWVRF-HNNXBMFYSA-N 1 3 339.484 -0.484 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000911147156 650154401 /nfs/dbraw/zinc/15/44/01/650154401.db2.gz OLRDWQBRAZKFOR-TZMCWYRMSA-N 1 3 337.468 -0.733 20 0 EBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC000911149577 650154928 /nfs/dbraw/zinc/15/49/28/650154928.db2.gz XWQCPTIAQPBESH-VYDRJRHOSA-N 1 3 336.436 -0.696 20 0 EBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149172 650155055 /nfs/dbraw/zinc/15/50/55/650155055.db2.gz VAZYLOHSNFYLSX-ZNMIVQPWSA-N 1 3 338.452 -0.386 20 0 EBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000911149575 650155148 /nfs/dbraw/zinc/15/51/48/650155148.db2.gz XWQCPTIAQPBESH-AIEDFZFUSA-N 1 3 336.436 -0.696 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911186262 650157894 /nfs/dbraw/zinc/15/78/94/650157894.db2.gz MNSPGIPBELBGKK-CQSZACIVSA-N 1 3 339.484 -0.674 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCSC1 ZINC000911197646 650158961 /nfs/dbraw/zinc/15/89/61/650158961.db2.gz BDCPMGAOOSPNMK-WOSRLPQWSA-N 1 3 340.493 -0.392 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911206433 650159399 /nfs/dbraw/zinc/15/93/99/650159399.db2.gz FKZWYKDQZHRVDP-OAHLLOKOSA-N 1 3 339.484 -0.484 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911163845 650155991 /nfs/dbraw/zinc/15/59/91/650155991.db2.gz ZWQSQHYIGGGNJU-CZUORRHYSA-N 1 3 326.441 -0.711 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C[NH+](C)C ZINC000911298819 650167719 /nfs/dbraw/zinc/16/77/19/650167719.db2.gz XGJMGZXRTHPCOH-XQQFMLRXSA-N 1 3 344.456 -0.702 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911258064 650163415 /nfs/dbraw/zinc/16/34/15/650163415.db2.gz LYWZDULPPLRNQM-HUUCEWRRSA-N 1 3 334.420 -0.578 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911255499 650163493 /nfs/dbraw/zinc/16/34/93/650163493.db2.gz OJGUUGPPZDTIOO-UHFFFAOYSA-N 1 3 326.441 -0.401 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911268319 650164486 /nfs/dbraw/zinc/16/44/86/650164486.db2.gz CSJRIAZYNPCRSE-RRFJBIMHSA-N 1 3 339.484 -0.900 20 0 EBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412200 650179702 /nfs/dbraw/zinc/17/97/02/650179702.db2.gz KJFOPQLSZIANJK-CQSZACIVSA-N 1 3 325.457 -0.874 20 0 EBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411261 650179815 /nfs/dbraw/zinc/17/98/15/650179815.db2.gz INHBICYGLOMGON-UHFFFAOYSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC000911776067 650196407 /nfs/dbraw/zinc/19/64/07/650196407.db2.gz UBIUXWHWAVATBI-OAHLLOKOSA-N 1 3 345.447 -0.124 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000912461149 650205752 /nfs/dbraw/zinc/20/57/52/650205752.db2.gz INHPYUJTEIMYNH-INIZCTEOSA-N 1 3 328.457 -0.688 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000912461149 650205754 /nfs/dbraw/zinc/20/57/54/650205754.db2.gz INHPYUJTEIMYNH-INIZCTEOSA-N 1 3 328.457 -0.688 20 0 EBADHO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000923499248 650342199 /nfs/dbraw/zinc/34/21/99/650342199.db2.gz RRTFRUQSPFAEFT-HUUCEWRRSA-N 1 3 339.484 -0.865 20 0 EBADHO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)N2CCNCC2)C1 ZINC000923678304 650352369 /nfs/dbraw/zinc/35/23/69/650352369.db2.gz WEJUUVXKRNMBPW-LLVKDONJSA-N 1 3 328.413 -0.087 20 0 EBADHO CCN1CCN(C[C@H](C)CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923618620 650348315 /nfs/dbraw/zinc/34/83/15/650348315.db2.gz ATVZYLPQWQRVCQ-CABCVRRESA-N 1 3 332.514 -0.069 20 0 EBADHO [NH3+]C1(CNS(=O)(=O)N2CCNCC2)C2CC3CC(C2)CC1C3 ZINC000923659847 650351534 /nfs/dbraw/zinc/35/15/34/650351534.db2.gz XUHMXQSTCMRQNQ-UHFFFAOYSA-N 1 3 328.482 -0.120 20 0 EBADHO C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925408808 650377602 /nfs/dbraw/zinc/37/76/02/650377602.db2.gz BLUHFSIPPMTYHH-OWCLPIDISA-N 1 3 339.484 -0.263 20 0 EBADHO C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925408808 650377605 /nfs/dbraw/zinc/37/76/05/650377605.db2.gz BLUHFSIPPMTYHH-OWCLPIDISA-N 1 3 339.484 -0.263 20 0 EBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000926310355 650385451 /nfs/dbraw/zinc/38/54/51/650385451.db2.gz PFLIVUJECYOIPU-OAHLLOKOSA-N 1 3 337.468 -0.905 20 0 EBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926333416 650386509 /nfs/dbraw/zinc/38/65/09/650386509.db2.gz JNOLWIDHHNLGDT-CZUORRHYSA-N 1 3 326.441 -0.759 20 0 EBADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@@H]1C ZINC000926345036 650387969 /nfs/dbraw/zinc/38/79/69/650387969.db2.gz NAWDPRXXOVDJGY-LSDHHAIUSA-N 1 3 339.484 -0.661 20 0 EBADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@@H]1C ZINC000926345036 650387973 /nfs/dbraw/zinc/38/79/73/650387973.db2.gz NAWDPRXXOVDJGY-LSDHHAIUSA-N 1 3 339.484 -0.661 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)C[NH+](C)C ZINC000929401866 651545856 /nfs/dbraw/zinc/54/58/56/651545856.db2.gz KPXPTDAXPFKEMB-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO COC1(C(=O)N(CCCN(C)C)CCC[NH+](C)C)CS(=O)(=O)C1 ZINC000932685456 651689305 /nfs/dbraw/zinc/68/93/05/651689305.db2.gz WTGMORZUYDFTAJ-UHFFFAOYSA-N 1 3 349.497 -0.468 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000955443703 720177198 /nfs/dbraw/zinc/17/71/98/720177198.db2.gz YUIYZRVKFMHFEG-HNNXBMFYSA-N 1 3 331.420 -0.037 20 0 EBADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000958850945 722618728 /nfs/dbraw/zinc/61/87/28/722618728.db2.gz WNEBYZZOYQLANY-XGUBFFRZSA-N 1 3 340.468 -0.692 20 0 EBADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000958850945 722618729 /nfs/dbraw/zinc/61/87/29/722618729.db2.gz WNEBYZZOYQLANY-XGUBFFRZSA-N 1 3 340.468 -0.692 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000958981140 722681650 /nfs/dbraw/zinc/68/16/50/722681650.db2.gz YSWAKQZYWLLBIM-RZFFKMDDSA-N 1 3 349.435 -0.678 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000958981140 722681651 /nfs/dbraw/zinc/68/16/51/722681651.db2.gz YSWAKQZYWLLBIM-RZFFKMDDSA-N 1 3 349.435 -0.678 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC1 ZINC001018963521 728757580 /nfs/dbraw/zinc/75/75/80/728757580.db2.gz PQMKUNGOYYKPSL-AWEZNQCLSA-N 1 3 338.452 -0.480 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019032295 728777142 /nfs/dbraw/zinc/77/71/42/728777142.db2.gz PBOYCCSNUMTIBW-HZSPNIEDSA-N 1 3 331.482 -0.048 20 0 EBADHO O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001019168754 728814257 /nfs/dbraw/zinc/81/42/57/728814257.db2.gz UIUQFXWFABDCMH-QRHJNKNDSA-N 1 3 348.447 -0.728 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001019342961 728863848 /nfs/dbraw/zinc/86/38/48/728863848.db2.gz QHNRMIFFIWAQAX-GOEBONIOSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC000968648632 725095737 /nfs/dbraw/zinc/09/57/37/725095737.db2.gz VVLBKJYVZYXWFC-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC000968648632 725095739 /nfs/dbraw/zinc/09/57/39/725095739.db2.gz VVLBKJYVZYXWFC-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)CC1 ZINC000969799307 725218385 /nfs/dbraw/zinc/21/83/85/725218385.db2.gz CRDUSVTZVGYKDW-OAHLLOKOSA-N 1 3 338.452 -0.623 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC000969846236 725222424 /nfs/dbraw/zinc/22/24/24/725222424.db2.gz QDTUXOPNORXQSZ-ZIAGYGMSSA-N 1 3 325.457 -0.212 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000970103638 725251188 /nfs/dbraw/zinc/25/11/88/725251188.db2.gz RCASYJGGVMUUKW-CYBMUJFWSA-N 1 3 340.449 -0.033 20 0 EBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC000970745067 725323222 /nfs/dbraw/zinc/32/32/22/725323222.db2.gz IAOJDDLNARZDHP-GDBMZVCRSA-N 1 3 347.463 -0.224 20 0 EBADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC000970745069 725323270 /nfs/dbraw/zinc/32/32/70/725323270.db2.gz IAOJDDLNARZDHP-HOCLYGCPSA-N 1 3 347.463 -0.224 20 0 EBADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC000991935392 725679843 /nfs/dbraw/zinc/67/98/43/725679843.db2.gz QYKBYCHDSIPVIP-NPYKFXGKSA-N 1 3 335.448 -0.045 20 0 EBADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC000991935392 725679846 /nfs/dbraw/zinc/67/98/46/725679846.db2.gz QYKBYCHDSIPVIP-NPYKFXGKSA-N 1 3 335.448 -0.045 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000995811500 726303370 /nfs/dbraw/zinc/30/33/70/726303370.db2.gz GUBUNCTZUDWECL-CYBMUJFWSA-N 1 3 336.440 -0.630 20 0 EBADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC000999366731 726516590 /nfs/dbraw/zinc/51/65/90/726516590.db2.gz ZLFMBCDGZLFCRM-JSGCOSHPSA-N 1 3 336.436 -0.144 20 0 EBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000999834665 726534286 /nfs/dbraw/zinc/53/42/86/726534286.db2.gz UPEXEPXTCQPUEJ-UHFFFAOYSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CCN(CCO)C3)nn2)CC[N@@H+]1C ZINC000999988366 726547749 /nfs/dbraw/zinc/54/77/49/726547749.db2.gz UJWXJCCDXRPWBA-BPLDGKMQSA-N 1 3 336.440 -0.526 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CCN(CCO)C3)nn2)CC[N@H+]1C ZINC000999988366 726547750 /nfs/dbraw/zinc/54/77/50/726547750.db2.gz UJWXJCCDXRPWBA-BPLDGKMQSA-N 1 3 336.440 -0.526 20 0 EBADHO O=C(NCc1cn([C@@H]2CCN(CCO)C2)nn1)C12CCC[NH+]1CCC2 ZINC001000004642 726549425 /nfs/dbraw/zinc/54/94/25/726549425.db2.gz WFBFQVVBJIYRGC-OAHLLOKOSA-N 1 3 348.451 -0.238 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000570915 726571459 /nfs/dbraw/zinc/57/14/59/726571459.db2.gz HLPGXDNCLPJCIG-HIFRSBDPSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(NCC1=CC[N@H+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001000972877 726585592 /nfs/dbraw/zinc/58/55/92/726585592.db2.gz GLWHZTKEFBVQPG-PQUAAJSLSA-N 1 3 335.448 -0.020 20 0 EBADHO O=C(NCC1=CC[N@@H+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001000972877 726585593 /nfs/dbraw/zinc/58/55/93/726585593.db2.gz GLWHZTKEFBVQPG-PQUAAJSLSA-N 1 3 335.448 -0.020 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001003334521 726670123 /nfs/dbraw/zinc/67/01/23/726670123.db2.gz WPWHSAUZBICRKJ-OAHLLOKOSA-N 1 3 334.464 -0.003 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001009075300 726853544 /nfs/dbraw/zinc/85/35/44/726853544.db2.gz BCZGQYRTCXGIJW-NGFQHRJXSA-N 1 3 331.420 -0.276 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001009075300 726853546 /nfs/dbraw/zinc/85/35/46/726853546.db2.gz BCZGQYRTCXGIJW-NGFQHRJXSA-N 1 3 331.420 -0.276 20 0 EBADHO O=C(CN1CCCC1)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001009272212 726884028 /nfs/dbraw/zinc/88/40/28/726884028.db2.gz BLQRJELMUFNCSO-PHZGNYQRSA-N 1 3 346.475 -0.001 20 0 EBADHO O=C(N1CCO[C@H](CN[C@@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001051904796 735456535 /nfs/dbraw/zinc/45/65/35/735456535.db2.gz UOVMFGQAXOLHLW-ZIAGYGMSSA-N 1 3 336.436 -0.822 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001019774847 728988822 /nfs/dbraw/zinc/98/88/22/728988822.db2.gz KQYYKWIOKOWWSA-KGLIPLIRSA-N 1 3 329.466 -0.293 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001019815183 728998835 /nfs/dbraw/zinc/99/88/35/728998835.db2.gz BJWULDJDQJYVHK-UONOGXRCSA-N 1 3 336.436 -0.142 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406968 729160762 /nfs/dbraw/zinc/16/07/62/729160762.db2.gz HWVQCEKBBYJYIP-BFKWJSRZSA-N 1 3 345.447 -0.017 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020407071 729160867 /nfs/dbraw/zinc/16/08/67/729160867.db2.gz NAAXFKPESRSPQC-WHJSIAKGSA-N 1 3 346.435 -0.622 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001020980473 729261225 /nfs/dbraw/zinc/26/12/25/729261225.db2.gz JUOGVYKWPTVASL-AVGNSLFASA-N 1 3 340.449 -0.068 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001021704927 729332984 /nfs/dbraw/zinc/33/29/84/729332984.db2.gz XFOHYUXWOOYZTI-GZBFAFLISA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001021704927 729332986 /nfs/dbraw/zinc/33/29/86/729332986.db2.gz XFOHYUXWOOYZTI-GZBFAFLISA-N 1 3 331.420 -0.037 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455242 729495574 /nfs/dbraw/zinc/49/55/74/729495574.db2.gz NAAXFKPESRSPQC-HJTLVLNNSA-N 1 3 346.435 -0.622 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001022714408 729524342 /nfs/dbraw/zinc/52/43/42/729524342.db2.gz TYTMCWJXKGPKFA-UPJWGTAASA-N 1 3 337.424 -0.883 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794104 730089730 /nfs/dbraw/zinc/08/97/30/730089730.db2.gz ZMQGCWGPPBMMEQ-CGNPOWQISA-N 1 3 334.420 -0.822 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@H+]1C ZINC001025794104 730089731 /nfs/dbraw/zinc/08/97/31/730089731.db2.gz ZMQGCWGPPBMMEQ-CGNPOWQISA-N 1 3 334.420 -0.822 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812877 730094934 /nfs/dbraw/zinc/09/49/34/730094934.db2.gz VOHQYNYSCSMPRR-LJIZCISZSA-N 1 3 334.464 -0.101 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812877 730094939 /nfs/dbraw/zinc/09/49/39/730094939.db2.gz VOHQYNYSCSMPRR-LJIZCISZSA-N 1 3 334.464 -0.101 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC001025926237 730108979 /nfs/dbraw/zinc/10/89/79/730108979.db2.gz JZLYQYZIVQFFEN-NPJQDHAYSA-N 1 3 332.448 -0.204 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001027217891 730200061 /nfs/dbraw/zinc/20/00/61/730200061.db2.gz RHAGZQDNKIEDFM-HUUCEWRRSA-N 1 3 343.493 -0.045 20 0 EBADHO O=C(NC[C@@H]1CCCN1C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001028267035 730279123 /nfs/dbraw/zinc/27/91/23/730279123.db2.gz DYTDADAMJVDQKL-JKSUJKDBSA-N 1 3 347.463 -0.080 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001031683410 730750286 /nfs/dbraw/zinc/75/02/86/730750286.db2.gz ZPKBKYHPAGJPCC-FVQBIDKESA-N 1 3 335.452 -0.368 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC001031683410 730750288 /nfs/dbraw/zinc/75/02/88/730750288.db2.gz ZPKBKYHPAGJPCC-FVQBIDKESA-N 1 3 335.452 -0.368 20 0 EBADHO C[NH+]1CCC(C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001031949468 730796309 /nfs/dbraw/zinc/79/63/09/730796309.db2.gz SZNWJWOLDOCMFY-INIZCTEOSA-N 1 3 335.452 -0.366 20 0 EBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001033594940 731045574 /nfs/dbraw/zinc/04/55/74/731045574.db2.gz SVJCIOKRYYAZMK-HZPDHXFCSA-N 1 3 347.463 -0.128 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001039867938 731552773 /nfs/dbraw/zinc/55/27/73/731552773.db2.gz SMTLCBJIQUDSSF-SUYBPPKGSA-N 1 3 349.435 -0.628 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001039867938 731552775 /nfs/dbraw/zinc/55/27/75/731552775.db2.gz SMTLCBJIQUDSSF-SUYBPPKGSA-N 1 3 349.435 -0.628 20 0 EBADHO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001040199473 731640845 /nfs/dbraw/zinc/64/08/45/731640845.db2.gz WQKJPTXGQQVZGH-RHSMWYFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001040199473 731640847 /nfs/dbraw/zinc/64/08/47/731640847.db2.gz WQKJPTXGQQVZGH-RHSMWYFYSA-N 1 3 342.484 -0.252 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351620 731707468 /nfs/dbraw/zinc/70/74/68/731707468.db2.gz KWHWAQDPCAGYOR-GUYCJALGSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351620 731707470 /nfs/dbraw/zinc/70/74/70/731707470.db2.gz KWHWAQDPCAGYOR-GUYCJALGSA-N 1 3 349.435 -0.626 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040356031 731710570 /nfs/dbraw/zinc/71/05/70/731710570.db2.gz FPIMFYVXYFOISU-KRWDZBQOSA-N 1 3 347.419 -0.872 20 0 EBADHO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001040360297 731712946 /nfs/dbraw/zinc/71/29/46/731712946.db2.gz WQKJPTXGQQVZGH-WMLDXEAASA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001040360297 731712950 /nfs/dbraw/zinc/71/29/50/731712950.db2.gz WQKJPTXGQQVZGH-WMLDXEAASA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040718473 731845957 /nfs/dbraw/zinc/84/59/57/731845957.db2.gz LILJMHMSEQHDTM-WMLDXEAASA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800468 731880490 /nfs/dbraw/zinc/88/04/90/731880490.db2.gz GFPXQODTBGKZHH-INIZCTEOSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061594973 738634504 /nfs/dbraw/zinc/63/45/04/738634504.db2.gz ALKCKABVDNEGGV-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061594973 738634505 /nfs/dbraw/zinc/63/45/05/738634505.db2.gz ALKCKABVDNEGGV-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043115582 732765427 /nfs/dbraw/zinc/76/54/27/732765427.db2.gz IKZKSNSSFVQSHT-KGLIPLIRSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043115582 732765429 /nfs/dbraw/zinc/76/54/29/732765429.db2.gz IKZKSNSSFVQSHT-KGLIPLIRSA-N 1 3 340.468 -0.786 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043612158 733023853 /nfs/dbraw/zinc/02/38/53/733023853.db2.gz DFOJUKLCUQAVAE-CYBMUJFWSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043612158 733023855 /nfs/dbraw/zinc/02/38/55/733023855.db2.gz DFOJUKLCUQAVAE-CYBMUJFWSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061651698 738673171 /nfs/dbraw/zinc/67/31/71/738673171.db2.gz VQMPWBUEVNJGCU-HUUCEWRRSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061651698 738673173 /nfs/dbraw/zinc/67/31/73/738673173.db2.gz VQMPWBUEVNJGCU-HUUCEWRRSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001061657139 738676739 /nfs/dbraw/zinc/67/67/39/738676739.db2.gz DBZIRJCFOPDYSC-HOCLYGCPSA-N 1 3 342.484 -0.132 20 0 EBADHO CN(C)[C@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001061657796 738677449 /nfs/dbraw/zinc/67/74/49/738677449.db2.gz DJERPSBLFMCAQD-HOCLYGCPSA-N 1 3 340.468 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044011545 733245808 /nfs/dbraw/zinc/24/58/08/733245808.db2.gz QPNKBCFOYYPCGX-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044011545 733245810 /nfs/dbraw/zinc/24/58/10/733245810.db2.gz QPNKBCFOYYPCGX-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001044041277 733258205 /nfs/dbraw/zinc/25/82/05/733258205.db2.gz GJAPEDIXTYJQLQ-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287289 733357178 /nfs/dbraw/zinc/35/71/78/733357178.db2.gz GYQQCCQMTMOBSZ-OAHLLOKOSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044299141 733366380 /nfs/dbraw/zinc/36/63/80/733366380.db2.gz WZZXEYJYBNGBRX-OAHLLOKOSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046684303 734002542 /nfs/dbraw/zinc/00/25/42/734002542.db2.gz GSDCZBQHCQRPIS-KBPBESRZSA-N 1 3 340.468 -0.785 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046684303 734002546 /nfs/dbraw/zinc/00/25/46/734002546.db2.gz GSDCZBQHCQRPIS-KBPBESRZSA-N 1 3 340.468 -0.785 20 0 EBADHO C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001046903665 734056970 /nfs/dbraw/zinc/05/69/70/734056970.db2.gz RWKMTOPESTYTCW-BLLLJJGKSA-N 1 3 333.392 -0.414 20 0 EBADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047428601 734190022 /nfs/dbraw/zinc/19/00/22/734190022.db2.gz FGUYJQOQLIPRKJ-IKGGRYGDSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047428601 734190023 /nfs/dbraw/zinc/19/00/23/734190023.db2.gz FGUYJQOQLIPRKJ-IKGGRYGDSA-N 1 3 349.479 -0.050 20 0 EBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048823412 734525684 /nfs/dbraw/zinc/52/56/84/734525684.db2.gz CGZRFPOYAXJRJG-OJLVUWQFSA-N 1 3 334.464 -0.147 20 0 EBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048824287 734526410 /nfs/dbraw/zinc/52/64/10/734526410.db2.gz XMYPKYFDKRSZGD-QXSJWSMHSA-N 1 3 334.464 -0.018 20 0 EBADHO CCN(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049019550 734615482 /nfs/dbraw/zinc/61/54/82/734615482.db2.gz OIVZORGVIQPEQP-KBPBESRZSA-N 1 3 342.484 -0.302 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(CC(=O)N4CCC4)C[C@H]3C2)C1 ZINC001049059068 734630739 /nfs/dbraw/zinc/63/07/39/734630739.db2.gz MJQVKIXLYIENRV-HRCADAONSA-N 1 3 334.464 -0.049 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(CC(=O)N4CCC4)C[C@H]3C2)C1 ZINC001049059068 734630741 /nfs/dbraw/zinc/63/07/41/734630741.db2.gz MJQVKIXLYIENRV-HRCADAONSA-N 1 3 334.464 -0.049 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059091 734630801 /nfs/dbraw/zinc/63/08/01/734630801.db2.gz NGLNSUNHHVNXSP-OAGGEKHMSA-N 1 3 349.479 -0.256 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059091 734630803 /nfs/dbraw/zinc/63/08/03/734630803.db2.gz NGLNSUNHHVNXSP-OAGGEKHMSA-N 1 3 349.479 -0.256 20 0 EBADHO CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049082450 734640555 /nfs/dbraw/zinc/64/05/55/734640555.db2.gz HYYGDLUKBFEXAH-GUTXKFCHSA-N 1 3 331.420 -0.037 20 0 EBADHO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049082450 734640558 /nfs/dbraw/zinc/64/05/58/734640558.db2.gz HYYGDLUKBFEXAH-GUTXKFCHSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001050201674 734867420 /nfs/dbraw/zinc/86/74/20/734867420.db2.gz IXJXADKGVHYXDK-HRCADAONSA-N 1 3 349.479 -0.114 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001050201674 734867421 /nfs/dbraw/zinc/86/74/21/734867421.db2.gz IXJXADKGVHYXDK-HRCADAONSA-N 1 3 349.479 -0.114 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050236914 734876944 /nfs/dbraw/zinc/87/69/44/734876944.db2.gz SJZSZWBKERGGHN-DGCLKSJQSA-N 1 3 333.392 -0.414 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754041 734954485 /nfs/dbraw/zinc/95/44/85/734954485.db2.gz NSSHDYKQKCQMDK-KBPBESRZSA-N 1 3 348.447 -0.332 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754041 734954487 /nfs/dbraw/zinc/95/44/87/734954487.db2.gz NSSHDYKQKCQMDK-KBPBESRZSA-N 1 3 348.447 -0.332 20 0 EBADHO CC[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001056022063 736600886 /nfs/dbraw/zinc/60/08/86/736600886.db2.gz PSUOKBMZCZNXTF-WMLDXEAASA-N 1 3 342.484 -0.252 20 0 EBADHO CN(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001057636617 737376603 /nfs/dbraw/zinc/37/66/03/737376603.db2.gz VLQVKZPPILVLJA-GJZGRUSLSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001057636617 737376606 /nfs/dbraw/zinc/37/66/06/737376606.db2.gz VLQVKZPPILVLJA-GJZGRUSLSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001057658928 737395733 /nfs/dbraw/zinc/39/57/33/737395733.db2.gz HQSUKJJXKKVKCM-CABCVRRESA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001057658928 737395737 /nfs/dbraw/zinc/39/57/37/737395737.db2.gz HQSUKJJXKKVKCM-CABCVRRESA-N 1 3 342.484 -0.537 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001057863440 737484260 /nfs/dbraw/zinc/48/42/60/737484260.db2.gz RSFABSXLXXQKPZ-UHFFFAOYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001057863230 737484339 /nfs/dbraw/zinc/48/43/39/737484339.db2.gz KBDJTJHCHVNUIQ-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001057863230 737484342 /nfs/dbraw/zinc/48/43/42/737484342.db2.gz KBDJTJHCHVNUIQ-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001057975030 737571591 /nfs/dbraw/zinc/57/15/91/737571591.db2.gz CMNPZOAQUBNXJE-CQSZACIVSA-N 1 3 344.500 -0.006 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001057975030 737571592 /nfs/dbraw/zinc/57/15/92/737571592.db2.gz CMNPZOAQUBNXJE-CQSZACIVSA-N 1 3 344.500 -0.006 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058158390 737681783 /nfs/dbraw/zinc/68/17/83/737681783.db2.gz XODODCLJGVCFPE-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058158390 737681786 /nfs/dbraw/zinc/68/17/86/737681786.db2.gz XODODCLJGVCFPE-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001058251128 737734391 /nfs/dbraw/zinc/73/43/91/737734391.db2.gz WWHQQVARHBXINR-MRXNPFEDSA-N 1 3 344.500 -0.149 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C ZINC001058253857 737735906 /nfs/dbraw/zinc/73/59/06/737735906.db2.gz KUJZREIYUVUGPO-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058255224 737737268 /nfs/dbraw/zinc/73/72/68/737737268.db2.gz HNKZYOWLWYCMBQ-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058255224 737737269 /nfs/dbraw/zinc/73/72/69/737737269.db2.gz HNKZYOWLWYCMBQ-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607898 737920453 /nfs/dbraw/zinc/92/04/53/737920453.db2.gz SMCPFJODSXEGSH-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710798 737961556 /nfs/dbraw/zinc/96/15/56/737961556.db2.gz PPOPNQSKGBRLAO-AWEZNQCLSA-N 1 3 328.457 -0.783 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC)N(C)C ZINC001058815098 738002860 /nfs/dbraw/zinc/00/28/60/738002860.db2.gz LEOKVRPZXBWPOB-AWEZNQCLSA-N 1 3 330.473 -0.395 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC)N(C)C ZINC001058815098 738002863 /nfs/dbraw/zinc/00/28/63/738002863.db2.gz LEOKVRPZXBWPOB-AWEZNQCLSA-N 1 3 330.473 -0.395 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1 ZINC001058948204 738087928 /nfs/dbraw/zinc/08/79/28/738087928.db2.gz OHNJGSWQEKRVMW-ZDUSSCGKSA-N 1 3 337.424 -0.769 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1 ZINC001058948204 738087932 /nfs/dbraw/zinc/08/79/32/738087932.db2.gz OHNJGSWQEKRVMW-ZDUSSCGKSA-N 1 3 337.424 -0.769 20 0 EBADHO CC[C@@H](C(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1)N(C)C ZINC001068416627 740320281 /nfs/dbraw/zinc/32/02/81/740320281.db2.gz VVHIDPFJOBLNJR-AWEZNQCLSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070209288 740749656 /nfs/dbraw/zinc/74/96/56/740749656.db2.gz XBXAQNNYONEFTC-MJBXVCDLSA-N 1 3 336.440 -0.515 20 0 EBADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@@H]1n1ccnn1 ZINC001070238364 740764585 /nfs/dbraw/zinc/76/45/85/740764585.db2.gz IAELAUNRQZXZSI-CLPSQLOGSA-N 1 3 346.435 -0.497 20 0 EBADHO O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001073700647 741713798 /nfs/dbraw/zinc/71/37/98/741713798.db2.gz SNQNGVVSRIEJDU-KRIMKBQASA-N 1 3 339.436 -0.951 20 0 EBADHO O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001073700647 741713799 /nfs/dbraw/zinc/71/37/99/741713799.db2.gz SNQNGVVSRIEJDU-KRIMKBQASA-N 1 3 339.436 -0.951 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565077 742000140 /nfs/dbraw/zinc/00/01/40/742000140.db2.gz RMDUUZIYCISZHU-IHRRRGAJSA-N 1 3 336.436 -0.191 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C)N(C)C ZINC001074711019 742082487 /nfs/dbraw/zinc/08/24/87/742082487.db2.gz NHSURQKETZGKCQ-SOUVJXGZSA-N 1 3 340.468 -0.236 20 0 EBADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001075003211 742156299 /nfs/dbraw/zinc/15/62/99/742156299.db2.gz DCVJTMSCSARPHW-AEGPPILISA-N 1 3 338.452 -0.435 20 0 EBADHO NC(=O)C[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075395624 742222139 /nfs/dbraw/zinc/22/21/39/742222139.db2.gz TWLJJXVTFFPCPG-DZGCQCFKSA-N 1 3 349.435 -0.187 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981901666 806322046 /nfs/dbraw/zinc/32/20/46/806322046.db2.gz RBHOTOJCZWEMHS-CSLYMUCUSA-N 1 3 335.448 -0.234 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981901666 806322056 /nfs/dbraw/zinc/32/20/56/806322056.db2.gz RBHOTOJCZWEMHS-CSLYMUCUSA-N 1 3 335.448 -0.234 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000976861400 803914099 /nfs/dbraw/zinc/91/40/99/803914099.db2.gz JXZLIQUFCGAFLQ-GAGVYUBLSA-N 1 3 334.464 -0.005 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000976861400 803914106 /nfs/dbraw/zinc/91/41/06/803914106.db2.gz JXZLIQUFCGAFLQ-GAGVYUBLSA-N 1 3 334.464 -0.005 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976921703 803960811 /nfs/dbraw/zinc/96/08/11/803960811.db2.gz BCIKBNQXBLRXGB-FOCJUVANSA-N 1 3 331.420 -0.215 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976921703 803960822 /nfs/dbraw/zinc/96/08/22/803960822.db2.gz BCIKBNQXBLRXGB-FOCJUVANSA-N 1 3 331.420 -0.215 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977197498 804206072 /nfs/dbraw/zinc/20/60/72/804206072.db2.gz SUOFIQZFFARBST-NBFUAULTSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000977197498 804206078 /nfs/dbraw/zinc/20/60/78/804206078.db2.gz SUOFIQZFFARBST-NBFUAULTSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534186 807953339 /nfs/dbraw/zinc/95/33/39/807953339.db2.gz VJYAGBLLYZQKAZ-UONOGXRCSA-N 1 3 336.436 -0.190 20 0 EBADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214847507 810285393 /nfs/dbraw/zinc/28/53/93/810285393.db2.gz HNWGNBPGWCSKFF-GRYCIOLGSA-N 1 3 339.440 -0.509 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001215474516 810330675 /nfs/dbraw/zinc/33/06/75/810330675.db2.gz WOCWCZIXWNOKHN-MGPQQGTHSA-N 1 3 348.513 -0.442 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001215571134 810336656 /nfs/dbraw/zinc/33/66/56/810336656.db2.gz AIRXCKUYWQGPEI-UPJWGTAASA-N 1 3 334.486 -0.688 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216401543 810370783 /nfs/dbraw/zinc/37/07/83/810370783.db2.gz LDOONXPPYBHYCB-UKRRQHHQSA-N 1 3 340.468 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216515606 810375788 /nfs/dbraw/zinc/37/57/88/810375788.db2.gz SPHCUBZTXQSGDB-FRRDWIJNSA-N 1 3 341.456 -0.391 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001216515608 810375841 /nfs/dbraw/zinc/37/58/41/810375841.db2.gz SPHCUBZTXQSGDB-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852414 810395803 /nfs/dbraw/zinc/39/58/03/810395803.db2.gz YUMCVQKFVPCTCC-VXGBXAGGSA-N 1 3 327.429 -0.781 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001216854055 810395836 /nfs/dbraw/zinc/39/58/36/810395836.db2.gz RWAOJUCLAHSRHI-ZIAGYGMSSA-N 1 3 338.452 -0.088 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851721 810396427 /nfs/dbraw/zinc/39/64/27/810396427.db2.gz GTPNKUQMTZOCGW-ZIAGYGMSSA-N 1 3 348.513 -0.298 20 0 EBADHO Nc1ncn(C(=O)C2(N)CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779447 810531148 /nfs/dbraw/zinc/53/11/48/810531148.db2.gz NJABMYOBJMOBRJ-BDAKNGLRSA-N 1 3 340.815 -0.879 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001015599456 810536217 /nfs/dbraw/zinc/53/62/17/810536217.db2.gz OAUDCGUSEFVXLY-GJZGRUSLSA-N 1 3 336.440 -0.422 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001015599456 810536221 /nfs/dbraw/zinc/53/62/21/810536221.db2.gz OAUDCGUSEFVXLY-GJZGRUSLSA-N 1 3 336.440 -0.422 20 0 EBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C1 ZINC001219640971 810782854 /nfs/dbraw/zinc/78/28/54/810782854.db2.gz DNZYQACDARVQIW-IHRRRGAJSA-N 1 3 348.451 -0.324 20 0 EBADHO CS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)nc1 ZINC001219716471 810806043 /nfs/dbraw/zinc/80/60/43/810806043.db2.gz OUYPLOLGPNXRKP-ZDUSSCGKSA-N 1 3 326.422 -0.572 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741879 810818455 /nfs/dbraw/zinc/81/84/55/810818455.db2.gz WXSFBKXYOJYOCQ-NEPJUHHUSA-N 1 3 327.429 -0.820 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743793 810819705 /nfs/dbraw/zinc/81/97/05/810819705.db2.gz MESNZDHQJAHBEH-IHRRRGAJSA-N 1 3 338.452 -0.258 20 0 EBADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CNCc2ccnn2C1 ZINC001219833854 810868676 /nfs/dbraw/zinc/86/86/76/810868676.db2.gz LABGZAVGAOBQSP-CKEIUWERSA-N 1 3 349.435 -0.886 20 0 EBADHO COC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(O)cc1 ZINC001219885542 810893969 /nfs/dbraw/zinc/89/39/69/810893969.db2.gz QWXUGGAMZNCRTM-SUYBPPKGSA-N 1 3 333.388 -0.078 20 0 EBADHO COC(=O)C1(NC(=O)[C@H]2CC[C@@]3(C2)CNCCO3)CC[NH2+]CC1 ZINC001220001117 810942270 /nfs/dbraw/zinc/94/22/70/810942270.db2.gz HZQSTLSNGUABGB-SWLSCSKDSA-N 1 3 325.409 -0.444 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cncnc1 ZINC001220007594 810944738 /nfs/dbraw/zinc/94/47/38/810944738.db2.gz QFMAVMXWUBJFLV-KBPBESRZSA-N 1 3 334.424 -0.460 20 0 EBADHO O=C(NCCCCCCN1C(=O)C=CC1=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220126755 810993349 /nfs/dbraw/zinc/99/33/49/810993349.db2.gz CKGHLBLXHLZSJU-CYBMUJFWSA-N 1 3 334.420 -0.603 20 0 EBADHO Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001220176854 811008004 /nfs/dbraw/zinc/00/80/04/811008004.db2.gz KIMWOQJJYBDZMU-GJZGRUSLSA-N 1 3 348.451 -0.151 20 0 EBADHO CC(C)[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)N1CCOCC1 ZINC001220453336 811113299 /nfs/dbraw/zinc/11/32/99/811113299.db2.gz CEODTGNLNXMVSD-KGLIPLIRSA-N 1 3 326.441 -0.687 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036208740 811120097 /nfs/dbraw/zinc/12/00/97/811120097.db2.gz XEJNSNDIHBQKSD-GXTWGEPZSA-N 1 3 334.424 -0.196 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23CCOCC3)CCNC1 ZINC001220521564 811137266 /nfs/dbraw/zinc/13/72/66/811137266.db2.gz IRQLSCVHYRORMV-CYBMUJFWSA-N 1 3 337.420 -0.071 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@H]2OC(C)=O)CCNC1 ZINC001220523522 811138529 /nfs/dbraw/zinc/13/85/29/811138529.db2.gz RCNWSELIEWEDRY-WCQYABFASA-N 1 3 325.365 -0.936 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220649150 811187490 /nfs/dbraw/zinc/18/74/90/811187490.db2.gz SVAULOHQSYYEMQ-CQSZACIVSA-N 1 3 334.420 -0.007 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220768267 811234089 /nfs/dbraw/zinc/23/40/89/811234089.db2.gz DCFYTDREWSSVLC-OAGGEKHMSA-N 1 3 343.468 -0.457 20 0 EBADHO CCO[C@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220768329 811235092 /nfs/dbraw/zinc/23/50/92/811235092.db2.gz HIQQOUKXXRPJKT-OWCLPIDISA-N 1 3 343.468 -0.459 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789334 811244086 /nfs/dbraw/zinc/24/40/86/811244086.db2.gz KMWUCVRTCDDNEZ-MGPQQGTHSA-N 1 3 334.424 -0.376 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC(=O)OC2CCCCC2)CNC1 ZINC001220851040 811266527 /nfs/dbraw/zinc/26/65/27/811266527.db2.gz FJJUKRXVSFWHIZ-LBPRGKRZSA-N 1 3 341.408 -0.399 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H](N)CC(=O)OC2CCCCC2)C[NH2+]C1 ZINC001220851040 811266538 /nfs/dbraw/zinc/26/65/38/811266538.db2.gz FJJUKRXVSFWHIZ-LBPRGKRZSA-N 1 3 341.408 -0.399 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001036829524 811277349 /nfs/dbraw/zinc/27/73/49/811277349.db2.gz GSFRNKKFJFZSHC-HIFRSBDPSA-N 1 3 346.435 -0.100 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036829524 811277354 /nfs/dbraw/zinc/27/73/54/811277354.db2.gz GSFRNKKFJFZSHC-HIFRSBDPSA-N 1 3 346.435 -0.100 20 0 EBADHO O=C(CNC(=O)[C@@H]1C[NH2+]C[C@H]1O)N1CCN(C2CCCCC2)CC1 ZINC001220901407 811288512 /nfs/dbraw/zinc/28/85/12/811288512.db2.gz YNCJBVCESFLCEY-HUUCEWRRSA-N 1 3 338.452 -0.840 20 0 EBADHO O=C(CNC(=O)[C@H]1C[NH2+]C[C@H]1O)N1CCN(C2CCCCC2)CC1 ZINC001220901408 811288643 /nfs/dbraw/zinc/28/86/43/811288643.db2.gz YNCJBVCESFLCEY-LSDHHAIUSA-N 1 3 338.452 -0.840 20 0 EBADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2COC3(CNC3)CN2)cc1 ZINC001220903136 811288835 /nfs/dbraw/zinc/28/88/35/811288835.db2.gz MOVFLKHXVDZTSC-MRXNPFEDSA-N 1 3 332.448 -0.133 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220970830 811317034 /nfs/dbraw/zinc/31/70/34/811317034.db2.gz JCJYDKBZWXGXED-GJZGRUSLSA-N 1 3 346.431 -0.797 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121540 811385476 /nfs/dbraw/zinc/38/54/76/811385476.db2.gz ITAKAHAGVPXEAA-CYBMUJFWSA-N 1 3 334.424 -0.448 20 0 EBADHO CC(C)(O)[C@H](F)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221260094 811429272 /nfs/dbraw/zinc/42/92/72/811429272.db2.gz GZDVGFLXLOUZLP-RWMBFGLXSA-N 1 3 346.447 -0.341 20 0 EBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O ZINC001221392243 811448950 /nfs/dbraw/zinc/44/89/50/811448950.db2.gz UEVDQABZDYSNLU-IRCOFANPSA-N 1 3 327.429 -0.818 20 0 EBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403130 811450819 /nfs/dbraw/zinc/45/08/19/811450819.db2.gz QWLMMQQEVNFFDD-LBPRGKRZSA-N 1 3 329.441 -0.121 20 0 EBADHO C[NH+](C)CCOCC(=O)NCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001225155394 811796391 /nfs/dbraw/zinc/79/63/91/811796391.db2.gz VSBITRPBHYIKSU-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001226801192 811884649 /nfs/dbraw/zinc/88/46/49/811884649.db2.gz UXSGUCXIEAHQNS-BZPMIXESSA-N 1 3 339.440 -0.462 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001227057513 811900996 /nfs/dbraw/zinc/90/09/96/811900996.db2.gz SRNJFADJGJLJCM-IJLUTSLNSA-N 1 3 327.429 -0.462 20 0 EBADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)COCC[NH+](C)C)C1 ZINC001080138194 811912000 /nfs/dbraw/zinc/91/20/00/811912000.db2.gz BNGRUSJOWSNECO-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001227454800 811922818 /nfs/dbraw/zinc/92/28/18/811922818.db2.gz VCTMYDOMBUNGJU-HZPDHXFCSA-N 1 3 341.452 -0.561 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001227454800 811922824 /nfs/dbraw/zinc/92/28/24/811922824.db2.gz VCTMYDOMBUNGJU-HZPDHXFCSA-N 1 3 341.452 -0.561 20 0 EBADHO CC[C@H](C(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1)N(C)C ZINC001227986372 811954097 /nfs/dbraw/zinc/95/40/97/811954097.db2.gz FPDUZHOMPSQFLW-HZPDHXFCSA-N 1 3 345.484 -0.069 20 0 EBADHO CC[C@@H](C(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1)N(C)C ZINC001229253395 812022694 /nfs/dbraw/zinc/02/26/94/812022694.db2.gz FPDUZHOMPSQFLW-CVEARBPZSA-N 1 3 345.484 -0.069 20 0 EBADHO COC(=O)CCCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242176 812525226 /nfs/dbraw/zinc/52/52/26/812525226.db2.gz NDZZQBKDACOIGP-LBPRGKRZSA-N 1 3 333.454 -0.267 20 0 EBADHO COC(=O)CCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238242176 812525229 /nfs/dbraw/zinc/52/52/29/812525229.db2.gz NDZZQBKDACOIGP-LBPRGKRZSA-N 1 3 333.454 -0.267 20 0 EBADHO COC(=O)[C@H](N)[C@@H]1CCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057304 812562048 /nfs/dbraw/zinc/56/20/48/812562048.db2.gz YLNIILSIVONLTG-MGPQQGTHSA-N 1 3 329.441 -0.936 20 0 EBADHO CCOC(=O)[C@H]1CNCCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599535 812576452 /nfs/dbraw/zinc/57/64/52/812576452.db2.gz CVXOBBDQNUXFGG-RWMBFGLXSA-N 1 3 342.465 -0.913 20 0 EBADHO O=C([C@@H]1C[C@@H](N2CC[C@@H]3NCCO[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246621509 812576618 /nfs/dbraw/zinc/57/66/18/812576618.db2.gz CRRQNMYPQPBBLY-RFGFWPKPSA-N 1 3 326.466 -0.688 20 0 EBADHO c1ncc(O[C@@H]2C[C@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CCN3C2)cn1 ZINC001246706177 812582280 /nfs/dbraw/zinc/58/22/80/812582280.db2.gz BOJAZWCQMKUGBM-HRCADAONSA-N 1 3 344.463 -0.292 20 0 EBADHO CC(=O)N1CCOC[C@@]2(CN([C@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723499 812583033 /nfs/dbraw/zinc/58/30/33/812583033.db2.gz JKBMXOHPJBCQKL-RDJZCZTQSA-N 1 3 338.452 -0.970 20 0 EBADHO O=S1(=O)CCN(C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246820429 812588894 /nfs/dbraw/zinc/58/88/94/812588894.db2.gz OQRGQNYKAITCIR-OAHLLOKOSA-N 1 3 342.509 -0.725 20 0 EBADHO CNC(=O)[C@H](CCCCNC[C@H](O)C[NH2+]C(C)(C)C)NC(C)=O ZINC001253410578 812679695 /nfs/dbraw/zinc/67/96/95/812679695.db2.gz MKDTUIRQSJKHPF-KBPBESRZSA-N 1 3 330.473 -0.254 20 0 EBADHO CNC(=O)[C@H](CCCC[NH2+]C[C@H](O)CNC(C)(C)C)NC(C)=O ZINC001253410578 812679698 /nfs/dbraw/zinc/67/96/98/812679698.db2.gz MKDTUIRQSJKHPF-KBPBESRZSA-N 1 3 330.473 -0.254 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC001261896560 813006656 /nfs/dbraw/zinc/00/66/56/813006656.db2.gz JPIWBFQQEMVZHF-CQSZACIVSA-N 1 3 342.484 -0.131 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081505253 813092628 /nfs/dbraw/zinc/09/26/28/813092628.db2.gz CZQZGFIESXBFBY-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001081505451 813093932 /nfs/dbraw/zinc/09/39/32/813093932.db2.gz GKMWLUCOXAGPSU-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001081505451 813093947 /nfs/dbraw/zinc/09/39/47/813093947.db2.gz GKMWLUCOXAGPSU-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262550778 813095760 /nfs/dbraw/zinc/09/57/60/813095760.db2.gz DARHVCXLNDZCGT-UHFFFAOYSA-N 1 3 327.473 -0.802 20 0 EBADHO CC(C)[C@H](C(=O)NCCCN(C)[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001265032362 813225124 /nfs/dbraw/zinc/22/51/24/813225124.db2.gz STHDLCZDTGBGJG-TZMCWYRMSA-N 1 3 326.441 -0.184 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001265459964 813328094 /nfs/dbraw/zinc/32/80/94/813328094.db2.gz SOACFSDCGBUPIV-ZDUSSCGKSA-N 1 3 334.486 -0.544 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001265852645 813386679 /nfs/dbraw/zinc/38/66/79/813386679.db2.gz GWQTXAVJSGGRTL-AAEUAGOBSA-N 1 3 327.429 -0.781 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265905346 813410025 /nfs/dbraw/zinc/41/00/25/813410025.db2.gz JVWJRWHKNJKLOV-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265905346 813410030 /nfs/dbraw/zinc/41/00/30/813410030.db2.gz JVWJRWHKNJKLOV-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[N@H+](C)CC(=O)N(C)C ZINC001265973842 813430218 /nfs/dbraw/zinc/43/02/18/813430218.db2.gz BGPBYBOIJGUPMU-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[N@@H+](C)CC(=O)N(C)C ZINC001265973842 813430222 /nfs/dbraw/zinc/43/02/22/813430222.db2.gz BGPBYBOIJGUPMU-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001265981921 813433325 /nfs/dbraw/zinc/43/33/25/813433325.db2.gz ABYBLUTWONWCRZ-AWEZNQCLSA-N 1 3 337.468 -0.066 20 0 EBADHO COCCOC[C@H](O)CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353114 813545656 /nfs/dbraw/zinc/54/56/56/813545656.db2.gz ONLIYGYIMBADGD-HUUCEWRRSA-N 1 3 341.452 -0.703 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411617 813561154 /nfs/dbraw/zinc/56/11/54/813561154.db2.gz APYJCRBBFWWSIT-CHWSQXEVSA-N 1 3 336.436 -0.240 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)CC1CC[NH+](C)CC1 ZINC001266854631 813684807 /nfs/dbraw/zinc/68/48/07/813684807.db2.gz WOSJUTYPFQAQDG-UHFFFAOYSA-N 1 3 334.486 -0.685 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCC(=O)NC(N)=O)CC1 ZINC001266935525 813703719 /nfs/dbraw/zinc/70/37/19/813703719.db2.gz HBBUUSXMJDQUCA-UHFFFAOYSA-N 1 3 327.429 -0.650 20 0 EBADHO C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267003017 813730234 /nfs/dbraw/zinc/73/02/34/813730234.db2.gz YJKHZUUMQXCDFV-QWHCGFSZSA-N 1 3 337.424 -0.723 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267025226 813739162 /nfs/dbraw/zinc/73/91/62/813739162.db2.gz OGESERQCCUIADY-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCOCC1 ZINC001267110011 813762167 /nfs/dbraw/zinc/76/21/67/813762167.db2.gz PHIJRROYEDTDOS-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCN1C)CCN1C(=O)CNC1=O ZINC001267311897 813844605 /nfs/dbraw/zinc/84/46/05/813844605.db2.gz IWXKJXGXVXYOJI-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)CCN1C(=O)CNC1=O ZINC001267311897 813844614 /nfs/dbraw/zinc/84/46/14/813844614.db2.gz IWXKJXGXVXYOJI-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082559554 813966975 /nfs/dbraw/zinc/96/69/75/813966975.db2.gz JBGZGVZDNCGAFA-BPLDGKMQSA-N 1 3 337.468 -0.212 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001267732830 814014261 /nfs/dbraw/zinc/01/42/61/814014261.db2.gz QBKSLEQLQIRJIO-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001267732830 814014267 /nfs/dbraw/zinc/01/42/67/814014267.db2.gz QBKSLEQLQIRJIO-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082919730 814023862 /nfs/dbraw/zinc/02/38/62/814023862.db2.gz CSEISJCZTPIDID-QLFBSQMISA-N 1 3 338.452 -0.767 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082919730 814023867 /nfs/dbraw/zinc/02/38/67/814023867.db2.gz CSEISJCZTPIDID-QLFBSQMISA-N 1 3 338.452 -0.767 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001267968683 814079844 /nfs/dbraw/zinc/07/98/44/814079844.db2.gz AXXSAKNFFWBARK-KGLIPLIRSA-N 1 3 348.513 -0.298 20 0 EBADHO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001268087063 814121607 /nfs/dbraw/zinc/12/16/07/814121607.db2.gz PEOOQPPEGNVRGU-STQMWFEESA-N 1 3 334.486 -0.686 20 0 EBADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001268848145 814412599 /nfs/dbraw/zinc/41/25/99/814412599.db2.gz RSBJEFADTLZCBA-NWDGAFQWSA-N 1 3 327.429 -0.650 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O ZINC001268961770 814459250 /nfs/dbraw/zinc/45/92/50/814459250.db2.gz HDVRYJYTIRKPIQ-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO C[C@@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)N1CCCC1 ZINC001269248901 814594763 /nfs/dbraw/zinc/59/47/63/814594763.db2.gz USAXACOELFGSBE-AWEZNQCLSA-N 1 3 338.452 -0.528 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001269422663 814684897 /nfs/dbraw/zinc/68/48/97/814684897.db2.gz JUJKZIMRKKILMM-OLZOCXBDSA-N 1 3 336.436 -0.096 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001269422663 814684899 /nfs/dbraw/zinc/68/48/99/814684899.db2.gz JUJKZIMRKKILMM-OLZOCXBDSA-N 1 3 336.436 -0.096 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091632 816226976 /nfs/dbraw/zinc/22/69/76/816226976.db2.gz HHCKDODCFSCNCN-KNCOVGOOSA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091632 816226984 /nfs/dbraw/zinc/22/69/84/816226984.db2.gz HHCKDODCFSCNCN-KNCOVGOOSA-N 1 3 348.451 -0.337 20 0 EBADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCN(C)C[C@]2(CCCC(=O)N2)C1 ZINC001272556115 816472893 /nfs/dbraw/zinc/47/28/93/816472893.db2.gz VVRVWEHCZJXTDO-WMLDXEAASA-N 1 3 337.468 -0.955 20 0 EBADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCN(C)C[C@]2(CCCC(=O)N2)C1 ZINC001272556115 816472899 /nfs/dbraw/zinc/47/28/99/816472899.db2.gz VVRVWEHCZJXTDO-WMLDXEAASA-N 1 3 337.468 -0.955 20 0 EBADHO C[C@@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001273018297 816567238 /nfs/dbraw/zinc/56/72/38/816567238.db2.gz ISAQLYCHYHHIRA-KGLIPLIRSA-N 1 3 338.452 -0.038 20 0 EBADHO CN(C)C(=O)CCN1C(=O)COCC12CN(CC1CC[NH2+]CC1)C2 ZINC001273029320 816570848 /nfs/dbraw/zinc/57/08/48/816570848.db2.gz ARRQUPPWQZLEGH-UHFFFAOYSA-N 1 3 338.452 -0.623 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034455 816844566 /nfs/dbraw/zinc/84/45/66/816844566.db2.gz FJJYUYDAWVXQSL-QUFGHOJKSA-N 1 3 339.440 -0.567 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274034455 816844569 /nfs/dbraw/zinc/84/45/69/816844569.db2.gz FJJYUYDAWVXQSL-QUFGHOJKSA-N 1 3 339.440 -0.567 20 0 EBADHO C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046906 816846027 /nfs/dbraw/zinc/84/60/27/816846027.db2.gz JNBPQUPTMAGCOF-AEFFLSMTSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046906 816846033 /nfs/dbraw/zinc/84/60/33/816846033.db2.gz JNBPQUPTMAGCOF-AEFFLSMTSA-N 1 3 338.496 -0.071 20 0 EBADHO CCOC[C@@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564420 817009477 /nfs/dbraw/zinc/00/94/77/817009477.db2.gz FITSYXLRZVRKTI-GOEBONIOSA-N 1 3 329.441 -0.751 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001275417507 817212480 /nfs/dbraw/zinc/21/24/80/817212480.db2.gz KPIVULJKRSCBEJ-UONOGXRCSA-N 1 3 348.513 -0.298 20 0 EBADHO O=C(N[C@H]1CCN(CCCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356028 817298303 /nfs/dbraw/zinc/29/83/03/817298303.db2.gz TWVPFEMABKYNGS-LSDHHAIUSA-N 1 3 325.453 -0.204 20 0 EBADHO Cn1ncnc1C(=O)N1CCO[C@H]2CN(CC3CC[NH2+]CC3)C[C@H]21 ZINC001276709226 817457109 /nfs/dbraw/zinc/45/71/09/817457109.db2.gz HZBWHMQTXDGUFT-KGLIPLIRSA-N 1 3 334.424 -0.660 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001277778014 817635042 /nfs/dbraw/zinc/63/50/42/817635042.db2.gz YUAXAMOZLLPCOQ-ZIAGYGMSSA-N 1 3 348.513 -0.154 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001279273113 817914103 /nfs/dbraw/zinc/91/41/03/817914103.db2.gz AFELJTUPCNBRFX-YMAMQOFZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn(C2CN(C[C@H]3CCOC3)C2)nn1 ZINC001094279079 818200481 /nfs/dbraw/zinc/20/04/81/818200481.db2.gz WRMZZEBDYLHRHI-CZUORRHYSA-N 1 3 348.451 -0.118 20 0 EBADHO C[N@H+]1CCC[C@@H]1C(=O)NCc1cn(C2CN(C[C@H]3CCOC3)C2)nn1 ZINC001094279079 818200486 /nfs/dbraw/zinc/20/04/86/818200486.db2.gz WRMZZEBDYLHRHI-CZUORRHYSA-N 1 3 348.451 -0.118 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001281763370 818275827 /nfs/dbraw/zinc/27/58/27/818275827.db2.gz BFPZRYHMTCIUBN-JTQLQIEISA-N 1 3 336.396 -0.703 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001282866404 818508158 /nfs/dbraw/zinc/50/81/58/818508158.db2.gz LRLLQWUMBANDQX-UHFFFAOYSA-N 1 3 326.441 -0.669 20 0 EBADHO C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001283881539 819016884 /nfs/dbraw/zinc/01/68/84/819016884.db2.gz NLKFDQUAFPBZCB-GXTWGEPZSA-N 1 3 346.497 -0.401 20 0 EBADHO COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449795 819194556 /nfs/dbraw/zinc/19/45/56/819194556.db2.gz NEHOXMVHXXPPAT-JKSUJKDBSA-N 1 3 343.468 -0.627 20 0 EBADHO COC[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449795 819194562 /nfs/dbraw/zinc/19/45/62/819194562.db2.gz NEHOXMVHXXPPAT-JKSUJKDBSA-N 1 3 343.468 -0.627 20 0 EBADHO CN(CCOCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001284875162 819385117 /nfs/dbraw/zinc/38/51/17/819385117.db2.gz WMEZKUPPTMPKEA-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCOCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001284878891 819387971 /nfs/dbraw/zinc/38/79/71/819387971.db2.gz XFUQETBEMHXMNP-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001289143423 820371953 /nfs/dbraw/zinc/37/19/53/820371953.db2.gz DNAATRVNHNUOQI-RBSFLKMASA-N 1 3 342.484 -0.254 20 0 EBADHO CN(C)C1(C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001100404868 820405957 /nfs/dbraw/zinc/40/59/57/820405957.db2.gz YKYLCHZWITURPD-UHFFFAOYSA-N 1 3 325.413 -0.850 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410798 820408277 /nfs/dbraw/zinc/40/82/77/820408277.db2.gz NRFDOMQVJAAWMI-UHFFFAOYSA-N 1 3 339.440 -0.589 20 0 EBADHO CN(CC(=O)N1CCN(C(=O)COCC[NH+](C)C)CC1)C1CCC1 ZINC001292413538 820538690 /nfs/dbraw/zinc/53/86/90/820538690.db2.gz FTZRPJZPHHDMGD-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432320 820790373 /nfs/dbraw/zinc/79/03/73/820790373.db2.gz LPEUYWAHLOVSGJ-KEYYUXOJSA-N 1 3 340.468 -0.391 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1)N(C)C ZINC001293601909 820795222 /nfs/dbraw/zinc/79/52/22/820795222.db2.gz WKLZBYZDRKPELH-GDBMZVCRSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513710 821135012 /nfs/dbraw/zinc/13/50/12/821135012.db2.gz YHRFRTKWLPQRRI-MCIONIFRSA-N 1 3 326.441 -0.863 20 0 EBADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)N(C)C ZINC001103444064 821311755 /nfs/dbraw/zinc/31/17/55/821311755.db2.gz YYIGFGMLAHTEGM-UPJWGTAASA-N 1 3 341.456 -0.404 20 0 EBADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)N(C)C ZINC001103444064 821311765 /nfs/dbraw/zinc/31/17/65/821311765.db2.gz YYIGFGMLAHTEGM-UPJWGTAASA-N 1 3 341.456 -0.404 20 0 EBADHO C[NH+](C)CCC(=O)NCc1cccc(N2CC[C@@H](NCC(N)=O)C2)n1 ZINC001127852124 828338771 /nfs/dbraw/zinc/33/87/71/828338771.db2.gz KKXUARYVGVHIAE-CQSZACIVSA-N 1 3 348.451 -0.697 20 0 EBADHO CN(CC(=O)NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016292 821973875 /nfs/dbraw/zinc/97/38/75/821973875.db2.gz LIZZSRPXWIXMSM-ZIAGYGMSSA-N 1 3 336.436 -0.240 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317056043 821987033 /nfs/dbraw/zinc/98/70/33/821987033.db2.gz PLSBSQDFRTYGEQ-LSDHHAIUSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001317063052 821990610 /nfs/dbraw/zinc/99/06/10/821990610.db2.gz YDOVLZIKUHBKNV-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001317119973 822008623 /nfs/dbraw/zinc/00/86/23/822008623.db2.gz MVSPATFLAOXWTM-MELADBBJSA-N 1 3 346.497 -0.496 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001317199806 822034361 /nfs/dbraw/zinc/03/43/61/822034361.db2.gz NMFNTDSMDTUDAE-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO CN(CCNCC(=O)NC(N)=O)C(=O)c1ccccc1CC[NH+](C)C ZINC001317615519 822179468 /nfs/dbraw/zinc/17/94/68/822179468.db2.gz YLJWGILEBOTPCB-UHFFFAOYSA-N 1 3 349.435 -0.353 20 0 EBADHO CN(CCNCC(=O)NC1CCOCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001317621926 822182842 /nfs/dbraw/zinc/18/28/42/822182842.db2.gz BADBCVDPQQUSBM-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106254986 822238172 /nfs/dbraw/zinc/23/81/72/822238172.db2.gz DTQXSDBKFKZTCY-VXGBXAGGSA-N 1 3 339.440 -0.650 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106340111 822251935 /nfs/dbraw/zinc/25/19/35/822251935.db2.gz LZQIDOBYSAZVTG-VXGBXAGGSA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106704947 822314190 /nfs/dbraw/zinc/31/41/90/822314190.db2.gz KLKVMVPBSDVGJF-VXGBXAGGSA-N 1 3 328.438 -0.319 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106705058 822314389 /nfs/dbraw/zinc/31/43/89/822314389.db2.gz PQWQEEKMPIXCGN-VXGBXAGGSA-N 1 3 343.453 -0.815 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001128787252 828526723 /nfs/dbraw/zinc/52/67/23/828526723.db2.gz XWGKVDYLEVNIDE-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001128787252 828526727 /nfs/dbraw/zinc/52/67/27/828526727.db2.gz XWGKVDYLEVNIDE-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001129327819 828598095 /nfs/dbraw/zinc/59/80/95/828598095.db2.gz JQNIOKLYKBFSHT-CYBMUJFWSA-N 1 3 334.486 -0.781 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001129327819 828598098 /nfs/dbraw/zinc/59/80/98/828598098.db2.gz JQNIOKLYKBFSHT-CYBMUJFWSA-N 1 3 334.486 -0.781 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341467 828601693 /nfs/dbraw/zinc/60/16/93/828601693.db2.gz VNRASRLDGADVTN-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341467 828601696 /nfs/dbraw/zinc/60/16/96/828601696.db2.gz VNRASRLDGADVTN-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363561 828604337 /nfs/dbraw/zinc/60/43/37/828604337.db2.gz JTRKGXAMWNLFJD-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363561 828604342 /nfs/dbraw/zinc/60/43/42/828604342.db2.gz JTRKGXAMWNLFJD-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362756 828605062 /nfs/dbraw/zinc/60/50/62/828605062.db2.gz CTTPUNDMXYMQPD-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362756 828605066 /nfs/dbraw/zinc/60/50/66/828605066.db2.gz CTTPUNDMXYMQPD-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363906 828606424 /nfs/dbraw/zinc/60/64/24/828606424.db2.gz MFJXSLDOISOFTD-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363906 828606426 /nfs/dbraw/zinc/60/64/26/828606426.db2.gz MFJXSLDOISOFTD-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001129423083 828616180 /nfs/dbraw/zinc/61/61/80/828616180.db2.gz PNMOJYVFDNLDIO-AWEZNQCLSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001129423083 828616186 /nfs/dbraw/zinc/61/61/86/828616186.db2.gz PNMOJYVFDNLDIO-AWEZNQCLSA-N 1 3 348.513 -0.154 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435137 828618389 /nfs/dbraw/zinc/61/83/89/828618389.db2.gz BTVLOJUJVVWLLY-ZDUSSCGKSA-N 1 3 327.429 -0.732 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NCc1cccnc1)C1CC1 ZINC001129437358 828619901 /nfs/dbraw/zinc/61/99/01/828619901.db2.gz ZLGLYWYXGUTUQG-INIZCTEOSA-N 1 3 333.436 -0.256 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444847 828620189 /nfs/dbraw/zinc/62/01/89/828620189.db2.gz ZBHFSYMACYYTCF-JSGCOSHPSA-N 1 3 346.497 -0.686 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC001129437356 828620662 /nfs/dbraw/zinc/62/06/62/828620662.db2.gz ZHDVGRIFIHCIFW-ZDUSSCGKSA-N 1 3 331.482 -0.143 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001129840755 828680357 /nfs/dbraw/zinc/68/03/57/828680357.db2.gz IYXRLQFXLKJTEX-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001129840755 828680387 /nfs/dbraw/zinc/68/03/87/828680387.db2.gz IYXRLQFXLKJTEX-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892196 828689223 /nfs/dbraw/zinc/68/92/23/828689223.db2.gz LULZINKXDPIVLN-QLFBSQMISA-N 1 3 336.440 -0.394 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947141 828698917 /nfs/dbraw/zinc/69/89/17/828698917.db2.gz LKLASUJYWHCEFV-RYUDHWBXSA-N 1 3 329.445 -0.487 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130107216 828733120 /nfs/dbraw/zinc/73/31/20/828733120.db2.gz JQOLPWMAZBEVLG-KFWWJZLASA-N 1 3 338.456 -0.004 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)S(C)(=O)=O ZINC001130187461 828750999 /nfs/dbraw/zinc/75/09/99/828750999.db2.gz VRCQDTSPJKSJLN-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)S(C)(=O)=O ZINC001130187461 828751002 /nfs/dbraw/zinc/75/10/02/828751002.db2.gz VRCQDTSPJKSJLN-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO COC[C@H](O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160112 825394659 /nfs/dbraw/zinc/39/46/59/825394659.db2.gz SNHHNDJEGSOUDF-IJLUTSLNSA-N 1 3 341.374 -0.076 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001130421898 828828311 /nfs/dbraw/zinc/82/83/11/828828311.db2.gz NRRBKNFISQRNAC-LSDHHAIUSA-N 1 3 345.484 -0.021 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617444 832994335 /nfs/dbraw/zinc/99/43/35/832994335.db2.gz GDIMWCCBOAOTMW-QEJZJMRPSA-N 1 3 340.424 -0.445 20 0 EBADHO CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001179692568 833001025 /nfs/dbraw/zinc/00/10/25/833001025.db2.gz SWXWKMWWTPRXKR-JSGCOSHPSA-N 1 3 336.440 -0.617 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114425900 826244031 /nfs/dbraw/zinc/24/40/31/826244031.db2.gz IHAMCTVSLYBHQG-LJIGWXMPSA-N 1 3 349.479 -0.068 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114425900 826244037 /nfs/dbraw/zinc/24/40/37/826244037.db2.gz IHAMCTVSLYBHQG-LJIGWXMPSA-N 1 3 349.479 -0.068 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)COCC[NH+](C)C ZINC001179933826 833028331 /nfs/dbraw/zinc/02/83/31/833028331.db2.gz LNPBDOHXLSSXGZ-JSGCOSHPSA-N 1 3 326.441 -0.578 20 0 EBADHO CN(CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001114496865 826266263 /nfs/dbraw/zinc/26/62/63/826266263.db2.gz UNVMUBDKJILHCV-QSJFSLAZSA-N 1 3 343.431 -0.157 20 0 EBADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001114589445 826293347 /nfs/dbraw/zinc/29/33/47/826293347.db2.gz HWUZXIRMBXOUER-GTHOZQOVSA-N 1 3 335.448 -0.068 20 0 EBADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001114589445 826293352 /nfs/dbraw/zinc/29/33/52/826293352.db2.gz HWUZXIRMBXOUER-GTHOZQOVSA-N 1 3 335.448 -0.068 20 0 EBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750392 826331990 /nfs/dbraw/zinc/33/19/90/826331990.db2.gz HDDNVSNEKRWCGK-QLPKVWCKSA-N 1 3 340.468 -0.473 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001118491463 826941759 /nfs/dbraw/zinc/94/17/59/826941759.db2.gz WFCRUSIYWFNEAO-YUELXQCFSA-N 1 3 338.452 -0.448 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427453 827108427 /nfs/dbraw/zinc/10/84/27/827108427.db2.gz PZOVESSFANAION-MGPQQGTHSA-N 1 3 326.441 -0.591 20 0 EBADHO CN1CCN(CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC001119527404 827116556 /nfs/dbraw/zinc/11/65/56/827116556.db2.gz PSDKIAVJPALEKM-KRWDZBQOSA-N 1 3 326.485 -0.023 20 0 EBADHO CN1CCN(CCCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC001119527404 827116559 /nfs/dbraw/zinc/11/65/59/827116559.db2.gz PSDKIAVJPALEKM-KRWDZBQOSA-N 1 3 326.485 -0.023 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652685 833170457 /nfs/dbraw/zinc/17/04/57/833170457.db2.gz OOHCTIYYEFHMBD-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653342 833170488 /nfs/dbraw/zinc/17/04/88/833170488.db2.gz YHOAWNPOQWFIIH-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001181652895 833170644 /nfs/dbraw/zinc/17/06/44/833170644.db2.gz RKDCPSMVTQGBMY-CHWSQXEVSA-N 1 3 337.424 -0.741 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652776 833170827 /nfs/dbraw/zinc/17/08/27/833170827.db2.gz PLSBSQDFRTYGEQ-HUUCEWRRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001121916738 827481152 /nfs/dbraw/zinc/48/11/52/827481152.db2.gz JAKIPFSAOVSSKG-UYJPIKCFSA-N 1 3 326.441 -0.855 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001182925935 833269069 /nfs/dbraw/zinc/26/90/69/833269069.db2.gz ZJERXTXHXIBEII-MLGOLLRUSA-N 1 3 341.456 -0.403 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866924 827969231 /nfs/dbraw/zinc/96/92/31/827969231.db2.gz NXBIYPLRJRPCDL-NWDGAFQWSA-N 1 3 327.429 -0.591 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229579 833284169 /nfs/dbraw/zinc/28/41/69/833284169.db2.gz NIVWYIUHBHJSSM-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183267817 833285303 /nfs/dbraw/zinc/28/53/03/833285303.db2.gz NVHCCVZGUHLIFL-KGLIPLIRSA-N 1 3 346.497 -0.544 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183268740 833285437 /nfs/dbraw/zinc/28/54/37/833285437.db2.gz WBGOJDBKQPWZFP-HZPDHXFCSA-N 1 3 340.468 -0.330 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183648264 833298408 /nfs/dbraw/zinc/29/84/08/833298408.db2.gz RNZVHRKKEJUHAM-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001183764774 833305539 /nfs/dbraw/zinc/30/55/39/833305539.db2.gz HQBHGOPYSXANEW-VXGBXAGGSA-N 1 3 341.456 -0.249 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001183764774 833305541 /nfs/dbraw/zinc/30/55/41/833305541.db2.gz HQBHGOPYSXANEW-VXGBXAGGSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001127066618 828247310 /nfs/dbraw/zinc/24/73/10/828247310.db2.gz QPCIGVPOBQVMPO-ZDUSSCGKSA-N 1 3 339.440 -0.447 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001127066618 828247313 /nfs/dbraw/zinc/24/73/13/828247313.db2.gz QPCIGVPOBQVMPO-ZDUSSCGKSA-N 1 3 339.440 -0.447 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001127479643 828297839 /nfs/dbraw/zinc/29/78/39/828297839.db2.gz DDOYXPYHSHDKPS-ZFWWWQNUSA-N 1 3 338.452 -0.719 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001127643875 828310181 /nfs/dbraw/zinc/31/01/81/828310181.db2.gz PJVQHARFWDNCFG-HZSPNIEDSA-N 1 3 326.441 -0.815 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC[N@H+]1C ZINC001127643875 828310184 /nfs/dbraw/zinc/31/01/84/828310184.db2.gz PJVQHARFWDNCFG-HZSPNIEDSA-N 1 3 326.441 -0.815 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643760 828310326 /nfs/dbraw/zinc/31/03/26/828310326.db2.gz KGVZHIRQDMUHOJ-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643760 828310334 /nfs/dbraw/zinc/31/03/34/828310334.db2.gz KGVZHIRQDMUHOJ-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127652795 828311044 /nfs/dbraw/zinc/31/10/44/828311044.db2.gz CDQZHWAFGRRAOJ-HUUCEWRRSA-N 1 3 342.484 -0.036 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127652795 828311053 /nfs/dbraw/zinc/31/10/53/828311053.db2.gz CDQZHWAFGRRAOJ-HUUCEWRRSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001127690978 828314746 /nfs/dbraw/zinc/31/47/46/828314746.db2.gz VGSYASNQXWBISI-MGPQQGTHSA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001127690978 828314753 /nfs/dbraw/zinc/31/47/53/828314753.db2.gz VGSYASNQXWBISI-MGPQQGTHSA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185203727 833349889 /nfs/dbraw/zinc/34/98/89/833349889.db2.gz GOBIEFSNCKOWHW-GHMZBOCLSA-N 1 3 336.396 -0.779 20 0 EBADHO C[C@H]1CN(C(=O)CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CCO1 ZINC001185265130 833352920 /nfs/dbraw/zinc/35/29/20/833352920.db2.gz MDJKENBGUXFCBZ-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CN(C(=O)CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001185415909 833358298 /nfs/dbraw/zinc/35/82/98/833358298.db2.gz JVCKHPZXMZHJOX-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650116 833365010 /nfs/dbraw/zinc/36/50/10/833365010.db2.gz DDXPHETXXOCXKK-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650116 833365014 /nfs/dbraw/zinc/36/50/14/833365014.db2.gz DDXPHETXXOCXKK-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(=O)NC(N)=O ZINC001185676108 833366523 /nfs/dbraw/zinc/36/65/23/833366523.db2.gz LQGVNHVEGOWACD-NWDGAFQWSA-N 1 3 339.440 -0.508 20 0 EBADHO CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001131519671 829150472 /nfs/dbraw/zinc/15/04/72/829150472.db2.gz IVKPTIKUYBZVGT-YRTQGLMCSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@H](NCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519671 829150476 /nfs/dbraw/zinc/15/04/76/829150476.db2.gz IVKPTIKUYBZVGT-YRTQGLMCSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@H](NCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519671 829150481 /nfs/dbraw/zinc/15/04/81/829150481.db2.gz IVKPTIKUYBZVGT-YRTQGLMCSA-N 1 3 336.436 -0.824 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1)N(C)C ZINC001185716568 833368082 /nfs/dbraw/zinc/36/80/82/833368082.db2.gz ZGHOCLIGQLPAOY-ILXRZTDVSA-N 1 3 331.457 -0.459 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)NCC1CC1 ZINC001131519864 829152443 /nfs/dbraw/zinc/15/24/43/829152443.db2.gz LPTWOUXMZYYXGG-XOYHFGRZSA-N 1 3 336.436 -0.918 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)NCC1CC1 ZINC001131519864 829152447 /nfs/dbraw/zinc/15/24/47/829152447.db2.gz LPTWOUXMZYYXGG-XOYHFGRZSA-N 1 3 336.436 -0.918 20 0 EBADHO O=C(NCC[NH2+]C[C@H]1CCc2ncnn21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521788 829153847 /nfs/dbraw/zinc/15/38/47/829153847.db2.gz HSICVQGQSAULBL-DLOXAQCQSA-N 1 3 346.435 -0.666 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522154 829154410 /nfs/dbraw/zinc/15/44/10/829154410.db2.gz UPTRAMPKNVAUPV-YXXKGXSTSA-N 1 3 336.436 -0.824 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522154 829154414 /nfs/dbraw/zinc/15/44/14/829154414.db2.gz UPTRAMPKNVAUPV-YXXKGXSTSA-N 1 3 336.436 -0.824 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001131799113 829223254 /nfs/dbraw/zinc/22/32/54/829223254.db2.gz IHXGYUOAYZYCML-OAHLLOKOSA-N 1 3 346.431 -0.085 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815380 829226322 /nfs/dbraw/zinc/22/63/22/829226322.db2.gz AWMJOWNEKWMOKY-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815380 829226331 /nfs/dbraw/zinc/22/63/31/829226331.db2.gz AWMJOWNEKWMOKY-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO C[NH+](C)C1(CC(=O)NCCNCCNS(C)(=O)=O)CCCC1 ZINC001131845270 829245224 /nfs/dbraw/zinc/24/52/24/829245224.db2.gz VLDKUCHISQHVPD-UHFFFAOYSA-N 1 3 334.486 -0.494 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186496650 833403424 /nfs/dbraw/zinc/40/34/24/833403424.db2.gz OJSRTIUXKZDPEE-GFCCVEGCSA-N 1 3 325.413 -0.930 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001186487850 833403432 /nfs/dbraw/zinc/40/34/32/833403432.db2.gz MSUVJBKTYXIQLV-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186412104 833401091 /nfs/dbraw/zinc/40/10/91/833401091.db2.gz LOCIVJHHCWASHJ-CYBMUJFWSA-N 1 3 341.456 -0.116 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001186496819 833403511 /nfs/dbraw/zinc/40/35/11/833403511.db2.gz RPVGHHWLBOHEDA-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)(C(=O)NCCNCC(=O)NC1CCOCC1)[NH+]1CCCC1 ZINC001132280673 829405560 /nfs/dbraw/zinc/40/55/60/829405560.db2.gz PXYJBZRXWQCMFB-UHFFFAOYSA-N 1 3 340.468 -0.138 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001186512834 833404301 /nfs/dbraw/zinc/40/43/01/833404301.db2.gz NJOARMFUEZNBAV-CYBMUJFWSA-N 1 3 349.435 -0.457 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001186616628 833409732 /nfs/dbraw/zinc/40/97/32/833409732.db2.gz SVHLVESDZYFCKA-CYBMUJFWSA-N 1 3 347.481 -0.668 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001132742744 829513432 /nfs/dbraw/zinc/51/34/32/829513432.db2.gz FUIJEGMJMXKZKN-VXGBXAGGSA-N 1 3 327.429 -0.602 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001132742744 829513440 /nfs/dbraw/zinc/51/34/40/829513440.db2.gz FUIJEGMJMXKZKN-VXGBXAGGSA-N 1 3 327.429 -0.602 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893593 829546031 /nfs/dbraw/zinc/54/60/31/829546031.db2.gz UCGZJGXVVYPWIL-KKUMJFAQSA-N 1 3 342.484 -0.036 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893593 829546033 /nfs/dbraw/zinc/54/60/33/829546033.db2.gz UCGZJGXVVYPWIL-KKUMJFAQSA-N 1 3 342.484 -0.036 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC1 ZINC001132993084 829567731 /nfs/dbraw/zinc/56/77/31/829567731.db2.gz MTLFBMBUDGSOLC-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001133051342 829577834 /nfs/dbraw/zinc/57/78/34/829577834.db2.gz DTRKLVQPMILCRH-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051919 829578453 /nfs/dbraw/zinc/57/84/53/829578453.db2.gz UZJKMZHVOCIQBS-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285953 829614973 /nfs/dbraw/zinc/61/49/73/829614973.db2.gz PNIXGDSDPMTVHW-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCCN2CCCS2(=O)=O)C1 ZINC001186824662 833431733 /nfs/dbraw/zinc/43/17/33/833431733.db2.gz DSZONFSKCZLYNK-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCN2CCCS2(=O)=O)C1 ZINC001186824662 833431736 /nfs/dbraw/zinc/43/17/36/833431736.db2.gz DSZONFSKCZLYNK-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434707 829630949 /nfs/dbraw/zinc/63/09/49/829630949.db2.gz ZRAVBFAXYXLSTL-QWHCGFSZSA-N 1 3 343.472 -0.099 20 0 EBADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133434534 829631086 /nfs/dbraw/zinc/63/10/86/829631086.db2.gz WBSWINYMNBTIAZ-DGCLKSJQSA-N 1 3 341.456 -0.345 20 0 EBADHO CC[C@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690105 829662192 /nfs/dbraw/zinc/66/21/92/829662192.db2.gz HWHCJHJXMOVCQW-VXGBXAGGSA-N 1 3 329.445 -0.343 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001133819976 829679385 /nfs/dbraw/zinc/67/93/85/829679385.db2.gz UIBUZOZJIIGUCO-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001133819976 829679390 /nfs/dbraw/zinc/67/93/90/829679390.db2.gz UIBUZOZJIIGUCO-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133834390 829681993 /nfs/dbraw/zinc/68/19/93/829681993.db2.gz WAMUDJUWESTNAC-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCO[C@H](C)C2)C1 ZINC001133845719 829684728 /nfs/dbraw/zinc/68/47/28/829684728.db2.gz MGYVIPXZMFJHBP-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCO[C@H](C)C2)C1 ZINC001133845719 829684735 /nfs/dbraw/zinc/68/47/35/829684735.db2.gz MGYVIPXZMFJHBP-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001133845716 829684880 /nfs/dbraw/zinc/68/48/80/829684880.db2.gz MGYVIPXZMFJHBP-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001133845716 829684883 /nfs/dbraw/zinc/68/48/83/829684883.db2.gz MGYVIPXZMFJHBP-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001133846209 829685122 /nfs/dbraw/zinc/68/51/22/829685122.db2.gz WBSUIGRLMHAVSA-ZDUSSCGKSA-N 1 3 332.470 -0.931 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001133846208 829685565 /nfs/dbraw/zinc/68/55/65/829685565.db2.gz WBSUIGRLMHAVSA-CYBMUJFWSA-N 1 3 332.470 -0.931 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850688 829687348 /nfs/dbraw/zinc/68/73/48/829687348.db2.gz QAHQHNUCAXALIG-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850688 829687352 /nfs/dbraw/zinc/68/73/52/829687352.db2.gz QAHQHNUCAXALIG-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863046 829688258 /nfs/dbraw/zinc/68/82/58/829688258.db2.gz IYIAFZQLUGXWHC-MNOVXSKESA-N 1 3 338.374 -0.089 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863046 829688261 /nfs/dbraw/zinc/68/82/61/829688261.db2.gz IYIAFZQLUGXWHC-MNOVXSKESA-N 1 3 338.374 -0.089 20 0 EBADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133896518 829695222 /nfs/dbraw/zinc/69/52/22/829695222.db2.gz LXRIFVCUDRUYPD-ZDUSSCGKSA-N 1 3 331.482 -0.141 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776262 829843896 /nfs/dbraw/zinc/84/38/96/829843896.db2.gz OURVVRKHUNMNPQ-UHFFFAOYSA-N 1 3 328.457 -0.423 20 0 EBADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774269 829844368 /nfs/dbraw/zinc/84/43/68/829844368.db2.gz WZQRUOSPZSEUSW-QWRGUYRKSA-N 1 3 329.445 -0.216 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783567 829844624 /nfs/dbraw/zinc/84/46/24/829844624.db2.gz ZAYIWHMNYAZIOK-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO CN(C(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001135114793 829899171 /nfs/dbraw/zinc/89/91/71/829899171.db2.gz NLIDVKMFMFHKAI-UHFFFAOYSA-N 1 3 336.440 -0.615 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001135523562 829981155 /nfs/dbraw/zinc/98/11/55/829981155.db2.gz JAELWBZKISBBCB-UHFFFAOYSA-N 1 3 341.456 -0.246 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001135523532 829981403 /nfs/dbraw/zinc/98/14/03/829981403.db2.gz HOWQQBZTOGDYII-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706235 830012757 /nfs/dbraw/zinc/01/27/57/830012757.db2.gz QOTYERZWAKKGMN-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978962 830056121 /nfs/dbraw/zinc/05/61/21/830056121.db2.gz AACNVEYGQATGRI-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257855 837418468 /nfs/dbraw/zinc/41/84/68/837418468.db2.gz VVZOLARUDHKNLW-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001211279316 837421493 /nfs/dbraw/zinc/42/14/93/837421493.db2.gz WTFJXNOULSXTKP-AWEZNQCLSA-N 1 3 348.513 -0.201 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286142 837421740 /nfs/dbraw/zinc/42/17/40/837421740.db2.gz TYMBHHTYJWWBNC-HZPDHXFCSA-N 1 3 345.484 -0.069 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001211286053 837422057 /nfs/dbraw/zinc/42/20/57/837422057.db2.gz SFZIXZPQYWDIMY-NWDGAFQWSA-N 1 3 327.429 -0.509 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147836216 830419110 /nfs/dbraw/zinc/41/91/10/830419110.db2.gz ZKMDEAGADXUJNP-KGLIPLIRSA-N 1 3 348.513 -0.248 20 0 EBADHO COc1ncc(CNCCNC(=O)COCC[NH+](C)C)c(C)n1 ZINC001147842426 830420188 /nfs/dbraw/zinc/42/01/88/830420188.db2.gz XAOFXOJDVSUXGW-UHFFFAOYSA-N 1 3 325.413 -0.422 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001147891527 830426227 /nfs/dbraw/zinc/42/62/27/830426227.db2.gz BGGSXTPCUIRNLN-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001147891527 830426233 /nfs/dbraw/zinc/42/62/33/830426233.db2.gz BGGSXTPCUIRNLN-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001147892945 830426842 /nfs/dbraw/zinc/42/68/42/830426842.db2.gz MAGAMJIDBZFYBV-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001147892945 830426846 /nfs/dbraw/zinc/42/68/46/830426846.db2.gz MAGAMJIDBZFYBV-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001147892946 830427197 /nfs/dbraw/zinc/42/71/97/830427197.db2.gz MAGAMJIDBZFYBV-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001147892946 830427200 /nfs/dbraw/zinc/42/72/00/830427200.db2.gz MAGAMJIDBZFYBV-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147892590 830427421 /nfs/dbraw/zinc/42/74/21/830427421.db2.gz KGNIGOLKBJPJSP-CYBMUJFWSA-N 1 3 330.473 -0.036 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000479 830437032 /nfs/dbraw/zinc/43/70/32/830437032.db2.gz QSRMWMOQDWWWBR-AWEZNQCLSA-N 1 3 340.468 -0.281 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001148359895 830475305 /nfs/dbraw/zinc/47/53/05/830475305.db2.gz GNEPWLBNKCKGQH-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001148359783 830475351 /nfs/dbraw/zinc/47/53/51/830475351.db2.gz CYXGXVJLPNUVQO-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148365245 830475466 /nfs/dbraw/zinc/47/54/66/830475466.db2.gz MUAXHNMQKXQBIR-UHFFFAOYSA-N 1 3 343.472 -0.094 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC ZINC001148571089 830510731 /nfs/dbraw/zinc/51/07/31/830510731.db2.gz VTWZJFRZEZLVSJ-LBPRGKRZSA-N 1 3 329.445 -0.342 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC ZINC001148571089 830510737 /nfs/dbraw/zinc/51/07/37/830510737.db2.gz VTWZJFRZEZLVSJ-LBPRGKRZSA-N 1 3 329.445 -0.342 20 0 EBADHO CO[C@@H](C)CN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590073 830940412 /nfs/dbraw/zinc/94/04/12/830940412.db2.gz YDJGIHOCUIELAJ-GJZGRUSLSA-N 1 3 331.457 -0.193 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001150620608 830946397 /nfs/dbraw/zinc/94/63/97/830946397.db2.gz UJEWPEBISUUMQV-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCCO1 ZINC001150620608 830946402 /nfs/dbraw/zinc/94/64/02/830946402.db2.gz UJEWPEBISUUMQV-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150625059 830947957 /nfs/dbraw/zinc/94/79/57/830947957.db2.gz IEEZYEVIBHEUME-CVEARBPZSA-N 1 3 345.484 -0.067 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150625059 830947961 /nfs/dbraw/zinc/94/79/61/830947961.db2.gz IEEZYEVIBHEUME-CVEARBPZSA-N 1 3 345.484 -0.067 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049678 831015867 /nfs/dbraw/zinc/01/58/67/831015867.db2.gz WAERSSFNVIUKKO-NWDGAFQWSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049678 831015876 /nfs/dbraw/zinc/01/58/76/831015876.db2.gz WAERSSFNVIUKKO-NWDGAFQWSA-N 1 3 341.456 -0.343 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001151058118 831018496 /nfs/dbraw/zinc/01/84/96/831018496.db2.gz WOQVJLAJRNTQNF-HUUCEWRRSA-N 1 3 338.452 -0.719 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001151058118 831018504 /nfs/dbraw/zinc/01/85/04/831018504.db2.gz WOQVJLAJRNTQNF-HUUCEWRRSA-N 1 3 338.452 -0.719 20 0 EBADHO COCCC1(NC(=O)COCC[NH+](C)C)CCN(CCO)CC1 ZINC001151392338 831069206 /nfs/dbraw/zinc/06/92/06/831069206.db2.gz HIBCEPGPVGAYCZ-UHFFFAOYSA-N 1 3 331.457 -0.456 20 0 EBADHO CN(C)Cc1cccc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001152246284 831144706 /nfs/dbraw/zinc/14/47/06/831144706.db2.gz WKDURZLOOXQHLE-AWEZNQCLSA-N 1 3 332.404 -0.127 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001152427352 831162183 /nfs/dbraw/zinc/16/21/83/831162183.db2.gz WREXLMJJCZAAAD-ZDUSSCGKSA-N 1 3 334.486 -0.686 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001152432508 831162796 /nfs/dbraw/zinc/16/27/96/831162796.db2.gz IXEBJIQKRWHVPF-AWEZNQCLSA-N 1 3 331.457 -0.411 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152470730 831165567 /nfs/dbraw/zinc/16/55/67/831165567.db2.gz GCWHZBZCISXWHF-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001152459062 831165866 /nfs/dbraw/zinc/16/58/66/831165866.db2.gz XWWMSPODBZMZEP-OAHLLOKOSA-N 1 3 328.457 -0.281 20 0 EBADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473989 831166274 /nfs/dbraw/zinc/16/62/74/831166274.db2.gz YARFFTUGCAKRJL-VXGBXAGGSA-N 1 3 327.429 -0.604 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153300254 831220355 /nfs/dbraw/zinc/22/03/55/831220355.db2.gz HMFWUVPNNCIFOU-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153300253 831220626 /nfs/dbraw/zinc/22/06/26/831220626.db2.gz HMFWUVPNNCIFOU-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CCOC(=O)c1c(CN)ncn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001155083490 831384049 /nfs/dbraw/zinc/38/40/49/831384049.db2.gz BXVXPJBYKABVIW-UHFFFAOYSA-N 1 3 331.380 -0.293 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001155789251 831428891 /nfs/dbraw/zinc/42/88/91/831428891.db2.gz CNKDDBHHCUGQTP-OAHLLOKOSA-N 1 3 333.436 -0.112 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155790644 831430298 /nfs/dbraw/zinc/43/02/98/831430298.db2.gz LAWZFVOVJZDCDM-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@H]3CCCN3C)C2=O)n1 ZINC001155813686 831431968 /nfs/dbraw/zinc/43/19/68/831431968.db2.gz TWDPBEBOJWLXMD-UONOGXRCSA-N 1 3 348.451 -0.285 20 0 EBADHO CO[C@H]1CCN[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386871 831564735 /nfs/dbraw/zinc/56/47/35/831564735.db2.gz RBLSPXQBEDXBJQ-SOUVJXGZSA-N 1 3 340.468 -0.010 20 0 EBADHO N[C@H](C(=O)N1CCn2nc(C(F)(F)F)nc2C1)C1CC[NH2+]CC1 ZINC001157521992 831576296 /nfs/dbraw/zinc/57/62/96/831576296.db2.gz NLKJEDZPUBLYDN-JTQLQIEISA-N 1 3 332.330 -0.034 20 0 EBADHO [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001157740979 831589718 /nfs/dbraw/zinc/58/97/18/831589718.db2.gz RLBPZRYHMVWSNP-YPMHNXCESA-N 1 3 333.429 -0.557 20 0 EBADHO CS(=O)(=O)c1nc2c(c(N3CC[C@](F)(CN)C3)n1)CC[NH2+]CC2 ZINC001157809737 831593799 /nfs/dbraw/zinc/59/37/99/831593799.db2.gz SKPBZCLFHCYYBN-AWEZNQCLSA-N 1 3 343.428 -0.555 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877742 831601992 /nfs/dbraw/zinc/60/19/92/831601992.db2.gz PTUNYVVZECCHLC-JTQLQIEISA-N 1 3 344.872 -0.202 20 0 EBADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091379 831626058 /nfs/dbraw/zinc/62/60/58/831626058.db2.gz BXVDMMAOMGCMTF-MAUKXSAKSA-N 1 3 346.431 -0.389 20 0 EBADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118758 831630141 /nfs/dbraw/zinc/63/01/41/831630141.db2.gz DFGYYWHBRFZLBF-BVGQSLNGSA-N 1 3 348.447 -0.917 20 0 EBADHO O=C(c1cncc2c1CCNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121180 831630872 /nfs/dbraw/zinc/63/08/72/831630872.db2.gz XCSJUNBVVHIYHT-SFHVURJKSA-N 1 3 341.415 -0.721 20 0 EBADHO NC1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)Cc2ccccc2C1 ZINC001158121359 831631224 /nfs/dbraw/zinc/63/12/24/831631224.db2.gz RVPFTDGCLXFVNJ-SFHVURJKSA-N 1 3 340.427 -0.579 20 0 EBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)COCC(=O)N2 ZINC001158325491 831646134 /nfs/dbraw/zinc/64/61/34/831646134.db2.gz BTNCCGJGUNRSKY-ZDUSSCGKSA-N 1 3 336.436 -0.632 20 0 EBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)COCC(=O)N2 ZINC001158325491 831646137 /nfs/dbraw/zinc/64/61/37/831646137.db2.gz BTNCCGJGUNRSKY-ZDUSSCGKSA-N 1 3 336.436 -0.632 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001158486583 831658255 /nfs/dbraw/zinc/65/82/55/831658255.db2.gz OSEANZBLEQLZPE-CABCVRRESA-N 1 3 349.435 -0.056 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001158486583 831658260 /nfs/dbraw/zinc/65/82/60/831658260.db2.gz OSEANZBLEQLZPE-CABCVRRESA-N 1 3 349.435 -0.056 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533026 831662935 /nfs/dbraw/zinc/66/29/35/831662935.db2.gz GWBFFDBWNQYWJU-VWPFQQQWSA-N 1 3 338.452 -0.545 20 0 EBADHO [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@H]2CF)CC1 ZINC001158567702 831666957 /nfs/dbraw/zinc/66/69/57/831666957.db2.gz KHVRJZNUVVXQRV-GRYCIOLGSA-N 1 3 345.440 -0.702 20 0 EBADHO COC[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])Cc2cn(C)nc21 ZINC001159019419 831704052 /nfs/dbraw/zinc/70/40/52/831704052.db2.gz PRIFGRTWTLNQAV-RYUDHWBXSA-N 1 3 327.454 -0.489 20 0 EBADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001159135737 831711608 /nfs/dbraw/zinc/71/16/08/831711608.db2.gz YGWYQBCLEDEFJJ-XCMOZONUSA-N 1 3 341.481 -0.501 20 0 EBADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001159236951 831726382 /nfs/dbraw/zinc/72/63/82/831726382.db2.gz WADSEKRGOSQVFC-SOUVJXGZSA-N 1 3 348.451 -0.308 20 0 EBADHO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]32)nn1 ZINC001159297256 831736438 /nfs/dbraw/zinc/73/64/38/831736438.db2.gz INYTUHHRJHODAB-MCIONIFRSA-N 1 3 334.424 -0.733 20 0 EBADHO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664140 831769898 /nfs/dbraw/zinc/76/98/98/831769898.db2.gz CMVUQVGKAMOOLI-NXOAAHMSSA-N 1 3 346.431 -0.536 20 0 EBADHO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664142 831770073 /nfs/dbraw/zinc/77/00/73/831770073.db2.gz CMVUQVGKAMOOLI-VQHPVUNQSA-N 1 3 346.431 -0.536 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CCC1 ZINC001159854875 831789301 /nfs/dbraw/zinc/78/93/01/831789301.db2.gz VJBGTWVEAAKXMS-UHFFFAOYSA-N 1 3 326.441 -0.575 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001159914208 831796961 /nfs/dbraw/zinc/79/69/61/831796961.db2.gz BLXHSEOYNNOQTG-AWEZNQCLSA-N 1 3 339.440 -0.589 20 0 EBADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)CC[S@](C)=O ZINC001159929348 831798437 /nfs/dbraw/zinc/79/84/37/831798437.db2.gz CUCUPDJNEWCTGN-DKIAMSCKSA-N 1 3 330.498 -0.681 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932430 831799066 /nfs/dbraw/zinc/79/90/66/831799066.db2.gz QXQSEZQBTRBHMC-LSDHHAIUSA-N 1 3 331.457 -0.554 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001159933050 831799114 /nfs/dbraw/zinc/79/91/14/831799114.db2.gz YNSIXNOGOBCSAQ-XJKSGUPXSA-N 1 3 340.468 -0.425 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129309 831817564 /nfs/dbraw/zinc/81/75/64/831817564.db2.gz UWGIROONAYGAEJ-ZDUSSCGKSA-N 1 3 342.403 -0.387 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404248 831845046 /nfs/dbraw/zinc/84/50/46/831845046.db2.gz LQQMHCWCNICTGD-IGQOVBAYSA-N 1 3 329.466 -0.342 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160483159 831855217 /nfs/dbraw/zinc/85/52/17/831855217.db2.gz PHLDHYSURFUUDO-HNNXBMFYSA-N 1 3 337.493 -0.213 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(C)C[C@H]2CCC[NH2+]C2)COC1(C)C ZINC001160698549 831878975 /nfs/dbraw/zinc/87/89/75/831878975.db2.gz LZVWOQXRIHTWLG-AVGNSLFASA-N 1 3 326.441 -0.245 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CNC[C@H](F)C3)C[C@H]1C2 ZINC001160791875 831887569 /nfs/dbraw/zinc/88/75/69/831887569.db2.gz GSGRDKVDHILIHM-UFZBQXAWSA-N 1 3 339.411 -0.209 20 0 EBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001160901260 831904893 /nfs/dbraw/zinc/90/48/93/831904893.db2.gz BNVAUBBNNYCVAD-BDJLRTHQSA-N 1 3 333.392 -0.789 20 0 EBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001161158505 831933607 /nfs/dbraw/zinc/93/36/07/831933607.db2.gz WBCAYYZTYHPMPO-STQMWFEESA-N 1 3 344.456 -0.395 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCN1 ZINC001161444342 831957898 /nfs/dbraw/zinc/95/78/98/831957898.db2.gz GIYOYQGWVJDCMT-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1CCC(O)CC1)CC2 ZINC001161481953 831964393 /nfs/dbraw/zinc/96/43/93/831964393.db2.gz UPXGAVNBKDYVCR-BLLIMNRGSA-N 1 3 339.436 -0.382 20 0 EBADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001161573268 831973850 /nfs/dbraw/zinc/97/38/50/831973850.db2.gz BNXKKMLJIONEGT-LBPRGKRZSA-N 1 3 338.433 -0.228 20 0 EBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872318 832068377 /nfs/dbraw/zinc/06/83/77/832068377.db2.gz NWLYPFOKXDONLA-XOYHFGRZSA-N 1 3 333.436 -0.121 20 0 EBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872318 832068381 /nfs/dbraw/zinc/06/83/81/832068381.db2.gz NWLYPFOKXDONLA-XOYHFGRZSA-N 1 3 333.436 -0.121 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]1(C)CO ZINC001350199482 832130195 /nfs/dbraw/zinc/13/01/95/832130195.db2.gz FPVPDTUALXGDNL-RHSMWYFYSA-N 1 3 342.484 -0.585 20 0 EBADHO CN(C(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001350657120 832182555 /nfs/dbraw/zinc/18/25/55/832182555.db2.gz BFHHSDXJCVPNQB-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166009878 832245935 /nfs/dbraw/zinc/24/59/35/832245935.db2.gz ARLYTVSHPCFWNV-VXGBXAGGSA-N 1 3 329.445 -0.487 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708616 832282694 /nfs/dbraw/zinc/28/26/94/832282694.db2.gz UUTWQCJZHMWSNU-STQMWFEESA-N 1 3 334.424 -0.291 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708616 832282699 /nfs/dbraw/zinc/28/26/99/832282699.db2.gz UUTWQCJZHMWSNU-STQMWFEESA-N 1 3 334.424 -0.291 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(=O)NC(N)=O ZINC001166750278 832286371 /nfs/dbraw/zinc/28/63/71/832286371.db2.gz BKTLXTRIVFRPKF-NSHDSACASA-N 1 3 329.445 -0.356 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001166744346 832286395 /nfs/dbraw/zinc/28/63/95/832286395.db2.gz RUMUYMAZJKUVEB-LLVKDONJSA-N 1 3 327.429 -0.602 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166759516 832287234 /nfs/dbraw/zinc/28/72/34/832287234.db2.gz VQVQRWAXCDCAFW-UHFFFAOYSA-N 1 3 342.484 -0.033 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858327 832294461 /nfs/dbraw/zinc/29/44/61/832294461.db2.gz PQYJYKUHUGLBOC-LBPRGKRZSA-N 1 3 329.445 -0.342 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001168754806 832434049 /nfs/dbraw/zinc/43/40/49/832434049.db2.gz CBTBCPIAXFBCTC-CABCVRRESA-N 1 3 333.473 -0.164 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001168755708 832434200 /nfs/dbraw/zinc/43/42/00/832434200.db2.gz QKDJWACOXHVDSG-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001168754809 832434598 /nfs/dbraw/zinc/43/45/98/832434598.db2.gz CBTBCPIAXFBCTC-HUUCEWRRSA-N 1 3 333.473 -0.164 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001168755764 832434772 /nfs/dbraw/zinc/43/47/72/832434772.db2.gz RSTIRQSHHKDATC-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001171762364 832574911 /nfs/dbraw/zinc/57/49/11/832574911.db2.gz AYVSMOZLELCDOE-LSDHHAIUSA-N 1 3 333.473 -0.164 20 0 EBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174681888 832593818 /nfs/dbraw/zinc/59/38/18/832593818.db2.gz CDCMPTLVSCWOPQ-GXTWGEPZSA-N 1 3 342.440 -0.231 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980652 832723725 /nfs/dbraw/zinc/72/37/25/832723725.db2.gz NPPNCDLBSRYMGV-GFCCVEGCSA-N 1 3 329.445 -0.343 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001176986282 832725856 /nfs/dbraw/zinc/72/58/56/832725856.db2.gz JNVYNFUUDXEBMO-HOTGVXAUSA-N 1 3 345.484 -0.021 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001176986323 832726101 /nfs/dbraw/zinc/72/61/01/832726101.db2.gz KVATTWZDYGKEIM-UHFFFAOYSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001176986542 832726249 /nfs/dbraw/zinc/72/62/49/832726249.db2.gz QPHVGXPVNQCIRO-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001176992785 832728480 /nfs/dbraw/zinc/72/84/80/832728480.db2.gz ZYUALKDEBPWLTF-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178716251 832903831 /nfs/dbraw/zinc/90/38/31/832903831.db2.gz NCQSDZJFKRBSSA-QEJZJMRPSA-N 1 3 343.493 -0.048 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC[C@H]2CCOC2)CCN1C(=O)CC[NH+](C)C ZINC001179486033 832982695 /nfs/dbraw/zinc/98/26/95/832982695.db2.gz FKCKANNYUBUURW-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115529 833902592 /nfs/dbraw/zinc/90/25/92/833902592.db2.gz KWKZVHZDGQRZIF-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817878 833970242 /nfs/dbraw/zinc/97/02/42/833970242.db2.gz KTELPRBKBWMUGC-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187817878 833970249 /nfs/dbraw/zinc/97/02/49/833970249.db2.gz KTELPRBKBWMUGC-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145718 834012790 /nfs/dbraw/zinc/01/27/90/834012790.db2.gz KVSQYIBOWOPELH-CQSZACIVSA-N 1 3 328.457 -0.330 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001188978948 834113381 /nfs/dbraw/zinc/11/33/81/834113381.db2.gz HMEVZYDPWJRFAP-BFHYXJOUSA-N 1 3 336.436 -0.334 20 0 EBADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054303 834118277 /nfs/dbraw/zinc/11/82/77/834118277.db2.gz CFNNQUZTPJKHLF-JKSUJKDBSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389753 834150482 /nfs/dbraw/zinc/15/04/82/834150482.db2.gz LDTRFHLYHXTVIO-HZPDHXFCSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(=O)NCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389753 834150485 /nfs/dbraw/zinc/15/04/85/834150485.db2.gz LDTRFHLYHXTVIO-HZPDHXFCSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCOCCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221526 834246941 /nfs/dbraw/zinc/24/69/41/834246941.db2.gz DDIKZINZVVTVCU-JKSUJKDBSA-N 1 3 325.453 -0.130 20 0 EBADHO CN(C)S(=O)(=O)CCCN(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169598 834619868 /nfs/dbraw/zinc/61/98/68/834619868.db2.gz AZJIWOPYBMYRFV-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COCCOC)C1 ZINC001193642396 834921600 /nfs/dbraw/zinc/92/16/00/834921600.db2.gz NHTSEVLZPLOFGG-HZPDHXFCSA-N 1 3 345.484 -0.115 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COCCOC)C1 ZINC001193642396 834921604 /nfs/dbraw/zinc/92/16/04/834921604.db2.gz NHTSEVLZPLOFGG-HZPDHXFCSA-N 1 3 345.484 -0.115 20 0 EBADHO C[N@H+](C[C@@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194027047 835002341 /nfs/dbraw/zinc/00/23/41/835002341.db2.gz OVQCNYNDJVTENO-JKSUJKDBSA-N 1 3 335.452 -0.128 20 0 EBADHO C[N@@H+](C[C@@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194027047 835002353 /nfs/dbraw/zinc/00/23/53/835002353.db2.gz OVQCNYNDJVTENO-JKSUJKDBSA-N 1 3 335.452 -0.128 20 0 EBADHO CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038322 835004294 /nfs/dbraw/zinc/00/42/94/835004294.db2.gz JSEGNVKEAMUSTR-MRXNPFEDSA-N 1 3 340.468 -0.232 20 0 EBADHO CC(=O)NCCOCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038322 835004302 /nfs/dbraw/zinc/00/43/02/835004302.db2.gz JSEGNVKEAMUSTR-MRXNPFEDSA-N 1 3 340.468 -0.232 20 0 EBADHO COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040792 835005762 /nfs/dbraw/zinc/00/57/62/835005762.db2.gz SJPNBLVDVUUJRC-HZPDHXFCSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040792 835005771 /nfs/dbraw/zinc/00/57/71/835005771.db2.gz SJPNBLVDVUUJRC-HZPDHXFCSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251622 835380503 /nfs/dbraw/zinc/38/05/03/835380503.db2.gz MTIXEZHZBHXOEK-BZUAXINKSA-N 1 3 343.468 -0.315 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529514 835980979 /nfs/dbraw/zinc/98/09/79/835980979.db2.gz WGCLBJXKNNUICD-HUUCEWRRSA-N 1 3 338.452 -0.719 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200628033 835997320 /nfs/dbraw/zinc/99/73/20/835997320.db2.gz QUNVNEAABXSONV-KBPBESRZSA-N 1 3 346.447 -0.381 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200635888 835999995 /nfs/dbraw/zinc/99/99/95/835999995.db2.gz XGMRENQLMATDMI-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200635888 836000001 /nfs/dbraw/zinc/00/00/01/836000001.db2.gz XGMRENQLMATDMI-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCOCCO)CC1 ZINC001200657775 836009584 /nfs/dbraw/zinc/00/95/84/836009584.db2.gz BCKZQBNMLFTATL-JKSUJKDBSA-N 1 3 341.452 -0.561 20 0 EBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687897 836014353 /nfs/dbraw/zinc/01/43/53/836014353.db2.gz HUAWFYPCQITQOQ-QWHCGFSZSA-N 1 3 326.441 -0.448 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001200796518 836038177 /nfs/dbraw/zinc/03/81/77/836038177.db2.gz ZJYMIYIQJIKKAU-LSDHHAIUSA-N 1 3 338.456 -0.175 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260261 836118986 /nfs/dbraw/zinc/11/89/86/836118986.db2.gz HZDXSUMDVJJDTK-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC1CC1 ZINC001201317139 836127993 /nfs/dbraw/zinc/12/79/93/836127993.db2.gz FYWKXKYYADNXIH-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001201345211 836132008 /nfs/dbraw/zinc/13/20/08/836132008.db2.gz ZRZFFRUPWJWAIX-HZPDHXFCSA-N 1 3 345.484 -0.211 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201679341 836175528 /nfs/dbraw/zinc/17/55/28/836175528.db2.gz WHJHENNEQORYCM-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201679329 836176339 /nfs/dbraw/zinc/17/63/39/836176339.db2.gz WBPMHULKRPQMTQ-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CC[C@H](NC[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1)C(N)=O ZINC001201809220 836196143 /nfs/dbraw/zinc/19/61/43/836196143.db2.gz LAKGUHNQAQPOCC-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[C@H](NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1)C(N)=O ZINC001201809220 836196149 /nfs/dbraw/zinc/19/61/49/836196149.db2.gz LAKGUHNQAQPOCC-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001202165465 836266566 /nfs/dbraw/zinc/26/65/66/836266566.db2.gz QVDHIYABCVPEJR-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001203460195 836433436 /nfs/dbraw/zinc/43/34/36/836433436.db2.gz NTSNPLULZVKFLA-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714252 836466559 /nfs/dbraw/zinc/46/65/59/836466559.db2.gz JVDZDNLKKSWTTC-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203932618 836488761 /nfs/dbraw/zinc/48/87/61/836488761.db2.gz LNLYQQRPSXKNBN-GFCCVEGCSA-N 1 3 341.456 -0.249 20 0 EBADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001205518560 836575387 /nfs/dbraw/zinc/57/53/87/836575387.db2.gz CKFNLVAUKOASQS-DGCLKSJQSA-N 1 3 341.456 -0.262 20 0 EBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979226 836740370 /nfs/dbraw/zinc/74/03/70/836740370.db2.gz LPYKMDLGQIQYBD-VNQPRFMTSA-N 1 3 325.453 -0.226 20 0 EBADHO O=C(N[C@@H]1CN(CC2CC[NH2+]CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001207435043 836798322 /nfs/dbraw/zinc/79/83/22/836798322.db2.gz DYBYYFZZWBGEOZ-FVQBIDKESA-N 1 3 331.420 -0.095 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001208334106 836999357 /nfs/dbraw/zinc/99/93/57/836999357.db2.gz FOTYODMUGMJUOR-WCQYABFASA-N 1 3 325.413 -0.898 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208374005 837013679 /nfs/dbraw/zinc/01/36/79/837013679.db2.gz UGMDZUIFCBQNDV-OCCSQVGLSA-N 1 3 341.456 -0.391 20 0 EBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494266 837064873 /nfs/dbraw/zinc/06/48/73/837064873.db2.gz NEWCMIGUIIKAFM-UKRRQHHQSA-N 1 3 328.457 -0.473 20 0 EBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208638593 837095059 /nfs/dbraw/zinc/09/50/59/837095059.db2.gz JCXOIIFAEFURRG-YXXKGXSTSA-N 1 3 336.436 -0.824 20 0 EBADHO COCC[N@@H+]1CCO[C@@H]2CN(CCN3CCOCC3)CC[C@@H]2C1 ZINC001209290127 837152770 /nfs/dbraw/zinc/15/27/70/837152770.db2.gz MTUQCYLXWDZWLA-IAGOWNOFSA-N 1 3 327.469 -0.012 20 0 EBADHO COCC[N@H+]1CCO[C@@H]2CN(CCN3CCOCC3)CC[C@@H]2C1 ZINC001209290127 837152774 /nfs/dbraw/zinc/15/27/74/837152774.db2.gz MTUQCYLXWDZWLA-IAGOWNOFSA-N 1 3 327.469 -0.012 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304594 837154439 /nfs/dbraw/zinc/15/44/39/837154439.db2.gz SUSAFQHQLUVKAB-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445685 837168152 /nfs/dbraw/zinc/16/81/52/837168152.db2.gz ODZMSVPVIAFNTG-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836825 837206725 /nfs/dbraw/zinc/20/67/25/837206725.db2.gz NTGPCQVHFUECMK-UKRRQHHQSA-N 1 3 340.424 -0.443 20 0 EBADHO CS(=O)(=O)CCN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673897 837316347 /nfs/dbraw/zinc/31/63/47/837316347.db2.gz JGDXKDPGCCHOQO-CYBMUJFWSA-N 1 3 329.466 -0.293 20 0 EBADHO C[C@H](N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685316 837320679 /nfs/dbraw/zinc/32/06/79/837320679.db2.gz SPYNHWANFZVWKO-RYUDHWBXSA-N 1 3 337.424 -0.754 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001210782284 837328989 /nfs/dbraw/zinc/32/89/89/837328989.db2.gz JWDXUPRNQHJXQK-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001210782284 837329000 /nfs/dbraw/zinc/32/90/00/837329000.db2.gz JWDXUPRNQHJXQK-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210812034 837332901 /nfs/dbraw/zinc/33/29/01/837332901.db2.gz SZYPXOVEMGQYIT-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210810828 837334525 /nfs/dbraw/zinc/33/45/25/837334525.db2.gz DVYVYWJKMRXUEP-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CO[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730790 837853646 /nfs/dbraw/zinc/85/36/46/837853646.db2.gz XWMPPKXFHYPGLQ-RBSFLKMASA-N 1 3 331.457 -0.459 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320734729 838826346 /nfs/dbraw/zinc/82/63/46/838826346.db2.gz MKQZYUANKSWSDK-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320734729 838826355 /nfs/dbraw/zinc/82/63/55/838826355.db2.gz MKQZYUANKSWSDK-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CS(=O)(=O)NCCNC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321065935 838896263 /nfs/dbraw/zinc/89/62/63/838896263.db2.gz WZIKIAFRXRUHAF-HSWBROFVSA-N 1 3 344.481 -0.861 20 0 EBADHO CN(CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCCN1C)S(C)(=O)=O ZINC001321121118 838912272 /nfs/dbraw/zinc/91/22/72/838912272.db2.gz QNANRHAEQDDPIX-GXMNPTEKSA-N 1 3 346.497 -0.376 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001325096416 839777387 /nfs/dbraw/zinc/77/73/87/839777387.db2.gz IACJKYMIJLBLFT-DOTOQJQBSA-N 1 3 343.468 -0.579 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001325096416 839777393 /nfs/dbraw/zinc/77/73/93/839777393.db2.gz IACJKYMIJLBLFT-DOTOQJQBSA-N 1 3 343.468 -0.579 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)C1O ZINC001327291057 840352651 /nfs/dbraw/zinc/35/26/51/840352651.db2.gz QEEDMALMVZFKPL-ZIAGYGMSSA-N 1 3 342.484 -0.587 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001327956842 840557128 /nfs/dbraw/zinc/55/71/28/840557128.db2.gz GTPNKUQMTZOCGW-UONOGXRCSA-N 1 3 348.513 -0.298 20 0 EBADHO CC(C)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCN(C)CC1 ZINC001327976874 840562495 /nfs/dbraw/zinc/56/24/95/840562495.db2.gz AZWIICIPYGXRPN-ROUUACIJSA-N 1 3 341.544 -0.544 20 0 EBADHO Cn1nccc1CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001328197719 840617658 /nfs/dbraw/zinc/61/76/58/840617658.db2.gz ZYGKAUYICRLYCZ-UHFFFAOYSA-N 1 3 346.435 -0.129 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC001329504956 840942864 /nfs/dbraw/zinc/94/28/64/840942864.db2.gz RAXXSKXJAUMZFO-CQSZACIVSA-N 1 3 337.468 -0.955 20 0 EBADHO C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001330834413 841279674 /nfs/dbraw/zinc/27/96/74/841279674.db2.gz CEKFCQBEVBCYCV-NWDGAFQWSA-N 1 3 341.456 -0.071 20 0 EBADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001331512304 841419195 /nfs/dbraw/zinc/41/91/95/841419195.db2.gz BXAXJAYRLROQSJ-XQLPTFJDSA-N 1 3 342.484 -0.134 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331616908 841441220 /nfs/dbraw/zinc/44/12/20/841441220.db2.gz DYSRTYABLRQPNN-LSDHHAIUSA-N 1 3 339.484 -0.484 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001331642432 841448018 /nfs/dbraw/zinc/44/80/18/841448018.db2.gz BDMKJKBQILKHLU-LBPRGKRZSA-N 1 3 327.429 -0.685 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332608950 841687897 /nfs/dbraw/zinc/68/78/97/841687897.db2.gz ZIKFBTUTHGXEFZ-LSDHHAIUSA-N 1 3 338.456 -0.439 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001333121261 841799909 /nfs/dbraw/zinc/79/99/09/841799909.db2.gz RURFYUIOPRLJMX-HSBZDZAISA-N 1 3 346.497 -0.544 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1SCCS1 ZINC001333383104 841863307 /nfs/dbraw/zinc/86/33/07/841863307.db2.gz XYKCUTWIJOVAAB-UHFFFAOYSA-N 1 3 348.538 -0.140 20 0 EBADHO CCOCC[C@H](O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333528972 841900580 /nfs/dbraw/zinc/90/05/80/841900580.db2.gz KCVSJSZUFRZROL-XHSDSOJGSA-N 1 3 340.468 -0.006 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001335623972 842319202 /nfs/dbraw/zinc/31/92/02/842319202.db2.gz ZOUVNBMWUVYURS-OAHLLOKOSA-N 1 3 340.516 -0.265 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001335777610 842353377 /nfs/dbraw/zinc/35/33/77/842353377.db2.gz GWESXQFCTNQKCB-JOCQHMNTSA-N 1 3 340.468 -0.155 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340955772 843046912 /nfs/dbraw/zinc/04/69/12/843046912.db2.gz DDZMVYDPBBEFSX-CABCVRRESA-N 1 3 340.468 -0.247 20 0 EBADHO CCN(CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001341516733 843095266 /nfs/dbraw/zinc/09/52/66/843095266.db2.gz TZGXHABSRRUCQV-HZSPNIEDSA-N 1 3 331.482 -0.143 20 0 EBADHO C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001342765310 843179435 /nfs/dbraw/zinc/17/94/35/843179435.db2.gz DCRMWHMZOCXKRU-KGLIPLIRSA-N 1 3 328.457 -0.521 20 0 EBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001344775890 843334530 /nfs/dbraw/zinc/33/45/30/843334530.db2.gz ZSWYMCUSCSQTSP-KKUMJFAQSA-N 1 3 338.452 -0.624 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001496207773 1125890209 /nfs/dbraw/zinc/89/02/09/1125890209.db2.gz RGYBWEPGDXBISC-RYUDHWBXSA-N 1 3 327.429 -0.685 20 0 EBADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCN1CCNC1=O ZINC001493332656 1125895528 /nfs/dbraw/zinc/89/55/28/1125895528.db2.gz SVMXAZROADWFIA-AWEZNQCLSA-N 1 3 325.457 -0.209 20 0 EBADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCN1CCNC1=O ZINC001493332656 1125895530 /nfs/dbraw/zinc/89/55/30/1125895530.db2.gz SVMXAZROADWFIA-AWEZNQCLSA-N 1 3 325.457 -0.209 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118782 1125925762 /nfs/dbraw/zinc/92/57/62/1125925762.db2.gz LTXVRHCABKYEFF-GJZGRUSLSA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118782 1125925764 /nfs/dbraw/zinc/92/57/64/1125925764.db2.gz LTXVRHCABKYEFF-GJZGRUSLSA-N 1 3 337.468 -0.209 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481266083 1125957639 /nfs/dbraw/zinc/95/76/39/1125957639.db2.gz ZBSNFRDTDYHDAC-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCC(=O)NC2=O)C1 ZINC001481269203 1125958674 /nfs/dbraw/zinc/95/86/74/1125958674.db2.gz CQBRHLIOWMRKRD-KBPBESRZSA-N 1 3 338.452 -0.038 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCC(=O)NC2=O)C1 ZINC001481269203 1125958675 /nfs/dbraw/zinc/95/86/75/1125958675.db2.gz CQBRHLIOWMRKRD-KBPBESRZSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317047 1126129498 /nfs/dbraw/zinc/12/94/98/1126129498.db2.gz NHKGCTNBPFJBCI-NEPJUHHUSA-N 1 3 341.456 -0.119 20 0 EBADHO CC(C)(C)NC(=O)CNC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001482800368 1126295071 /nfs/dbraw/zinc/29/50/71/1126295071.db2.gz VWXYUTVMAHAENH-CQSZACIVSA-N 1 3 342.484 -0.156 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)NC(N)=O ZINC001483014934 1126312769 /nfs/dbraw/zinc/31/27/69/1126312769.db2.gz CAFFAQXLSIOOIS-IJWDBEHRSA-N 1 3 339.440 -0.294 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)NC(N)=O ZINC001483014934 1126312770 /nfs/dbraw/zinc/31/27/70/1126312770.db2.gz CAFFAQXLSIOOIS-IJWDBEHRSA-N 1 3 339.440 -0.294 20 0 EBADHO CC(C)(C(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043981 1126318554 /nfs/dbraw/zinc/31/85/54/1126318554.db2.gz YSIZOKGTKUCUFS-ITDFMYJTSA-N 1 3 336.436 -0.072 20 0 EBADHO O=C(NC/C=C\CN[C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025407 1126314723 /nfs/dbraw/zinc/31/47/23/1126314723.db2.gz WMIUSXKVDWJQMB-BOPNBLERSA-N 1 3 348.447 -0.070 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001483244465 1126410067 /nfs/dbraw/zinc/41/00/67/1126410067.db2.gz YIMHDGXWOUMMHV-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483244465 1126410068 /nfs/dbraw/zinc/41/00/68/1126410068.db2.gz YIMHDGXWOUMMHV-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CNCC(=O)N1CCO[C@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001483260349 1126411276 /nfs/dbraw/zinc/41/12/76/1126411276.db2.gz BAWAWWXYLRYLTN-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001483932388 1126490378 /nfs/dbraw/zinc/49/03/78/1126490378.db2.gz FMZFLPSLCHEYDP-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001483932388 1126490380 /nfs/dbraw/zinc/49/03/80/1126490380.db2.gz FMZFLPSLCHEYDP-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CCn1cc(CCN2CC[C@@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001484252282 1126544856 /nfs/dbraw/zinc/54/48/56/1126544856.db2.gz UIPJZZBVEHBNQM-FUHWJXTLSA-N 1 3 349.479 -0.050 20 0 EBADHO CCn1cc(CCN2CC[C@@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001484252282 1126544858 /nfs/dbraw/zinc/54/48/58/1126544858.db2.gz UIPJZZBVEHBNQM-FUHWJXTLSA-N 1 3 349.479 -0.050 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1)N(C)C ZINC001484413077 1126571057 /nfs/dbraw/zinc/57/10/57/1126571057.db2.gz XGDJAYNBMXZMHQ-OWCLPIDISA-N 1 3 327.469 -0.028 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1)N(C)C ZINC001484413077 1126571058 /nfs/dbraw/zinc/57/10/58/1126571058.db2.gz XGDJAYNBMXZMHQ-OWCLPIDISA-N 1 3 327.469 -0.028 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001484691030 1126619571 /nfs/dbraw/zinc/61/95/71/1126619571.db2.gz UFYMWBUWBXUJHS-AWEZNQCLSA-N 1 3 335.408 -0.608 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686656 1126621834 /nfs/dbraw/zinc/62/18/34/1126621834.db2.gz AFDHVLUGTAYSEO-OCCSQVGLSA-N 1 3 326.441 -0.578 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001484699361 1126622552 /nfs/dbraw/zinc/62/25/52/1126622552.db2.gz OQNHSGKBJNCWFK-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648471 1126776922 /nfs/dbraw/zinc/77/69/22/1126776922.db2.gz AJDVNBBEIGRRPS-LSDHHAIUSA-N 1 3 338.456 -0.176 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCCS(C)(=O)=O)C1 ZINC001485645379 1126789008 /nfs/dbraw/zinc/78/90/08/1126789008.db2.gz FISJPTOFQPXGRS-KBPBESRZSA-N 1 3 349.497 -0.422 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCCS(C)(=O)=O)C1 ZINC001485645379 1126789011 /nfs/dbraw/zinc/78/90/11/1126789011.db2.gz FISJPTOFQPXGRS-KBPBESRZSA-N 1 3 349.497 -0.422 20 0 EBADHO C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001486091197 1127030434 /nfs/dbraw/zinc/03/04/34/1127030434.db2.gz GLXARXSACIOULG-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@H](NCCNS(C)(=O)=O)C(C)(C)C1 ZINC001486241641 1127065339 /nfs/dbraw/zinc/06/53/39/1127065339.db2.gz XXRWNNBDLZZHTC-LBPRGKRZSA-N 1 3 334.486 -0.686 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)C(C)(C)C1 ZINC001486241639 1127065761 /nfs/dbraw/zinc/06/57/61/1127065761.db2.gz XXRWNNBDLZZHTC-GFCCVEGCSA-N 1 3 334.486 -0.686 20 0 EBADHO CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302879 1127107262 /nfs/dbraw/zinc/10/72/62/1127107262.db2.gz HDXPAMGCDPFLCJ-CABCVRRESA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486317858 1127120059 /nfs/dbraw/zinc/12/00/59/1127120059.db2.gz RIIUSPFNLDBXKZ-DZGCQCFKSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486317858 1127120061 /nfs/dbraw/zinc/12/00/61/1127120061.db2.gz RIIUSPFNLDBXKZ-DZGCQCFKSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@H](NCC(N)=O)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127386 1127591787 /nfs/dbraw/zinc/59/17/87/1127591787.db2.gz COPLUEYQHTUSJE-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001410228576 1127649909 /nfs/dbraw/zinc/64/99/09/1127649909.db2.gz QMSGFRDWZBXFJJ-JHJVBQTASA-N 1 3 339.440 -0.732 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975158 1127957645 /nfs/dbraw/zinc/95/76/45/1127957645.db2.gz HHOGYOCQJBGCOJ-WDEREUQCSA-N 1 3 327.429 -0.652 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001411055215 1127990656 /nfs/dbraw/zinc/99/06/56/1127990656.db2.gz DKMJLYHUEMKRNO-ZIAGYGMSSA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001411055215 1127990661 /nfs/dbraw/zinc/99/06/61/1127990661.db2.gz DKMJLYHUEMKRNO-ZIAGYGMSSA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001488030043 1128571405 /nfs/dbraw/zinc/57/14/05/1128571405.db2.gz OPXCEUCJGFLWAU-CQSZACIVSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001488368336 1128705724 /nfs/dbraw/zinc/70/57/24/1128705724.db2.gz ALWPNRKSAVVHSG-KBPBESRZSA-N 1 3 328.457 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001488368336 1128705726 /nfs/dbraw/zinc/70/57/26/1128705726.db2.gz ALWPNRKSAVVHSG-KBPBESRZSA-N 1 3 328.457 -0.786 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001489544409 1128997841 /nfs/dbraw/zinc/99/78/41/1128997841.db2.gz XNPYQRJYMURWSC-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001489608793 1129013498 /nfs/dbraw/zinc/01/34/98/1129013498.db2.gz KENGJRUIDSTLFV-KGLIPLIRSA-N 1 3 337.424 -0.710 20 0 EBADHO C[C@H](NCC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490308684 1129163358 /nfs/dbraw/zinc/16/33/58/1129163358.db2.gz VWPAFJNQQQQQFQ-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001490998567 1130284103 /nfs/dbraw/zinc/28/41/03/1130284103.db2.gz FFNCSTYCKGJVDM-AWEZNQCLSA-N 1 3 326.441 -0.670 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001491076227 1130313308 /nfs/dbraw/zinc/31/33/08/1130313308.db2.gz XMPDUWPZGPBNRV-MJBXVCDLSA-N 1 3 332.408 -0.245 20 0 EBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491477916 1130462582 /nfs/dbraw/zinc/46/25/82/1130462582.db2.gz NNXCWYLBHGZEGB-ZDUSSCGKSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(=O)NC1CC1 ZINC001491563489 1130533652 /nfs/dbraw/zinc/53/36/52/1130533652.db2.gz GYALMWVXOQKWKN-NSHDSACASA-N 1 3 339.440 -0.589 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001413978231 1131187923 /nfs/dbraw/zinc/18/79/23/1131187923.db2.gz BAWAXWZKPHSCMI-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001413978231 1131187925 /nfs/dbraw/zinc/18/79/25/1131187925.db2.gz BAWAXWZKPHSCMI-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001365823301 1132819036 /nfs/dbraw/zinc/81/90/36/1132819036.db2.gz VPJMUSZZCDVDFX-SOUVJXGZSA-N 1 3 337.468 -0.162 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001365836882 1132826766 /nfs/dbraw/zinc/82/67/66/1132826766.db2.gz YREXBMQPWKOQHA-JOCQHMNTSA-N 1 3 331.482 0.000 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001366096209 1133001125 /nfs/dbraw/zinc/00/11/25/1133001125.db2.gz ARDYFWQGIUKJCB-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)N(C)C ZINC001366131821 1133020704 /nfs/dbraw/zinc/02/07/04/1133020704.db2.gz GSDOYMWACVKJFH-AJNGGQMLSA-N 1 3 340.468 -0.141 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366150686 1133027829 /nfs/dbraw/zinc/02/78/29/1133027829.db2.gz RFJOAEFFBXITLC-SDDRHHMPSA-N 1 3 339.440 -0.448 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001366276218 1133080608 /nfs/dbraw/zinc/08/06/08/1133080608.db2.gz KGMGPNGKPGHMFS-UONOGXRCSA-N 1 3 325.457 -0.021 20 0 EBADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001366481376 1133154989 /nfs/dbraw/zinc/15/49/89/1133154989.db2.gz AGUUNQFPNQAFKN-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367401878 1133579184 /nfs/dbraw/zinc/57/91/84/1133579184.db2.gz YVKNXYKSIYQXHX-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367401878 1133579186 /nfs/dbraw/zinc/57/91/86/1133579186.db2.gz YVKNXYKSIYQXHX-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367419306 1133585362 /nfs/dbraw/zinc/58/53/62/1133585362.db2.gz ZPHSDXDZNHICEC-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001367471896 1133596800 /nfs/dbraw/zinc/59/68/00/1133596800.db2.gz HRSNOQCVGQZLJL-ZDUSSCGKSA-N 1 3 341.456 -0.343 20 0 EBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001367603928 1133681666 /nfs/dbraw/zinc/68/16/66/1133681666.db2.gz VRVLVDVVFJDXID-AWEZNQCLSA-N 1 3 342.484 -0.206 20 0 EBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001367603928 1133681673 /nfs/dbraw/zinc/68/16/73/1133681673.db2.gz VRVLVDVVFJDXID-AWEZNQCLSA-N 1 3 342.484 -0.206 20 0 EBADHO CCN1CC[C@@H](NC[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609364 1133689575 /nfs/dbraw/zinc/68/95/75/1133689575.db2.gz QOOUVSJUWPEERO-UONOGXRCSA-N 1 3 338.452 -0.698 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613535 1133693441 /nfs/dbraw/zinc/69/34/41/1133693441.db2.gz CMVCJALXHIISDX-QWHCGFSZSA-N 1 3 328.457 -0.690 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001367676463 1133742077 /nfs/dbraw/zinc/74/20/77/1133742077.db2.gz QTCVIARBVOCUDQ-LLVKDONJSA-N 1 3 339.440 -0.447 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367677177 1133742367 /nfs/dbraw/zinc/74/23/67/1133742367.db2.gz SMWBRVAHFGWJDM-NEPJUHHUSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@H](CNCC(=O)NC1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367706478 1133753780 /nfs/dbraw/zinc/75/37/80/1133753780.db2.gz NDBAOTYYHIWSLQ-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](CNCC(=O)NC1CCOCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367706478 1133753786 /nfs/dbraw/zinc/75/37/86/1133753786.db2.gz NDBAOTYYHIWSLQ-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367708550 1133754882 /nfs/dbraw/zinc/75/48/82/1133754882.db2.gz XOVTWABYCCCPOC-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367708550 1133754887 /nfs/dbraw/zinc/75/48/87/1133754887.db2.gz XOVTWABYCCCPOC-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001367755957 1133773598 /nfs/dbraw/zinc/77/35/98/1133773598.db2.gz RUKZKLUQOIXLFQ-RWMBFGLXSA-N 1 3 343.472 -0.099 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001368105286 1133940125 /nfs/dbraw/zinc/94/01/25/1133940125.db2.gz UNQKVMUANBHZGE-STQMWFEESA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001368105286 1133940128 /nfs/dbraw/zinc/94/01/28/1133940128.db2.gz UNQKVMUANBHZGE-STQMWFEESA-N 1 3 339.440 -0.365 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163727 1133972776 /nfs/dbraw/zinc/97/27/76/1133972776.db2.gz AGEQVVOIKAREJL-ABAIWWIYSA-N 1 3 325.413 -0.896 20 0 EBADHO CCNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCOCC1 ZINC001368233820 1134002157 /nfs/dbraw/zinc/00/21/57/1134002157.db2.gz WOXKZEXQMCHJCP-UHFFFAOYSA-N 1 3 340.468 -0.138 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001368251499 1134030800 /nfs/dbraw/zinc/03/08/00/1134030800.db2.gz ZLJAWCYIAOHUCN-RHSMWYFYSA-N 1 3 338.452 -0.840 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001368251499 1134030807 /nfs/dbraw/zinc/03/08/07/1134030807.db2.gz ZLJAWCYIAOHUCN-RHSMWYFYSA-N 1 3 338.452 -0.840 20 0 EBADHO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368341680 1134155903 /nfs/dbraw/zinc/15/59/03/1134155903.db2.gz QYBIBARHKDDNIF-NWDGAFQWSA-N 1 3 339.440 -0.508 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368350396 1134159454 /nfs/dbraw/zinc/15/94/54/1134159454.db2.gz KQDXWLNLTAXSOT-NEPJUHHUSA-N 1 3 327.429 -0.794 20 0 EBADHO COC[C@@H](O)CN1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001368374425 1134179156 /nfs/dbraw/zinc/17/91/56/1134179156.db2.gz KGRHMRYHOWLHAM-RDJZCZTQSA-N 1 3 343.468 -0.721 20 0 EBADHO C[C@H]([NH2+]CCN(CCO)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001368397679 1134200582 /nfs/dbraw/zinc/20/05/82/1134200582.db2.gz NTWMLQFBJVDFKC-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001368403008 1134208467 /nfs/dbraw/zinc/20/84/67/1134208467.db2.gz BDVSJAQTXBNNSY-CQSZACIVSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001368501393 1134254652 /nfs/dbraw/zinc/25/46/52/1134254652.db2.gz BCFNAZZGECRPBV-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509625 1134261878 /nfs/dbraw/zinc/26/18/78/1134261878.db2.gz LLZHWZZKHDNEGB-GOEBONIOSA-N 1 3 342.484 -0.084 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001368520691 1134271848 /nfs/dbraw/zinc/27/18/48/1134271848.db2.gz CPPRNJCSYOKWLS-SDDRHHMPSA-N 1 3 327.429 -0.604 20 0 EBADHO CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001368605210 1134318268 /nfs/dbraw/zinc/31/82/68/1134318268.db2.gz YBXGFIHPPJTLHL-HNNXBMFYSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368649708 1134355015 /nfs/dbraw/zinc/35/50/15/1134355015.db2.gz GCQGSYYWORRPKU-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](OCC)C1 ZINC001368657185 1134359442 /nfs/dbraw/zinc/35/94/42/1134359442.db2.gz JOFDSZYTQXYBAM-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001368689334 1134388932 /nfs/dbraw/zinc/38/89/32/1134388932.db2.gz QWADEDMUVIWHIA-ZIAGYGMSSA-N 1 3 340.468 -0.322 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001368729127 1134409965 /nfs/dbraw/zinc/40/99/65/1134409965.db2.gz WEUFYXWADCJLQO-XQQFMLRXSA-N 1 3 343.472 -0.099 20 0 EBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368846092 1134463974 /nfs/dbraw/zinc/46/39/74/1134463974.db2.gz SBYWYRRATJAYHR-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001368848623 1134464242 /nfs/dbraw/zinc/46/42/42/1134464242.db2.gz MFAWDCUIVRJVNN-NEPJUHHUSA-N 1 3 339.440 -0.460 20 0 EBADHO C[C@H](NCC(=O)N1CCC1)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146827 1134591698 /nfs/dbraw/zinc/59/16/98/1134591698.db2.gz GXQHOOGHLIPFEC-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369251453 1134630025 /nfs/dbraw/zinc/63/00/25/1134630025.db2.gz QCJLBJSMAOWMLD-VXGBXAGGSA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001369280580 1134638860 /nfs/dbraw/zinc/63/88/60/1134638860.db2.gz FRPXEJRLYCYFFA-CYBMUJFWSA-N 1 3 349.497 -0.422 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369302636 1134646334 /nfs/dbraw/zinc/64/63/34/1134646334.db2.gz JGHZCYNOMOMQRM-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369302636 1134646336 /nfs/dbraw/zinc/64/63/36/1134646336.db2.gz JGHZCYNOMOMQRM-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO CN(CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)CC(C)(C)C ZINC001369476908 1134837636 /nfs/dbraw/zinc/83/76/36/1134837636.db2.gz TXDXJOYOSKCKON-ZIAGYGMSSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001370402101 1135336386 /nfs/dbraw/zinc/33/63/86/1135336386.db2.gz BRUAUECDMZCTGH-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001370549078 1135404512 /nfs/dbraw/zinc/40/45/12/1135404512.db2.gz SHUCWTWTICWKFI-AJNGGQMLSA-N 1 3 340.468 -0.453 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001370565754 1135411560 /nfs/dbraw/zinc/41/15/60/1135411560.db2.gz QXOOGFGFUCMSFJ-KKUMJFAQSA-N 1 3 340.468 -0.189 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370639072 1135442094 /nfs/dbraw/zinc/44/20/94/1135442094.db2.gz PQDNSNHYZAUOHB-SCRDCRAPSA-N 1 3 341.456 -0.345 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)N(C)C ZINC001370650802 1135453664 /nfs/dbraw/zinc/45/36/64/1135453664.db2.gz PWLWBLTWVOKWRY-BYNSBNAKSA-N 1 3 340.468 -0.284 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370725451 1135552533 /nfs/dbraw/zinc/55/25/33/1135552533.db2.gz OELANKSIBVVZRK-GJZGRUSLSA-N 1 3 342.484 -0.492 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813521 1135654370 /nfs/dbraw/zinc/65/43/70/1135654370.db2.gz XIJYLANUEJUIJF-HIFRSBDPSA-N 1 3 340.468 -0.737 20 0 EBADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001370907792 1135691876 /nfs/dbraw/zinc/69/18/76/1135691876.db2.gz IJGKVNLFNUTIET-GFCCVEGCSA-N 1 3 339.440 -0.364 20 0 EBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001371345044 1135893274 /nfs/dbraw/zinc/89/32/74/1135893274.db2.gz HMHRVKCSZMKKDK-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001371534502 1135958486 /nfs/dbraw/zinc/95/84/86/1135958486.db2.gz GAXYWVJFBYTORL-KFWWJZLASA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001371534502 1135958489 /nfs/dbraw/zinc/95/84/89/1135958489.db2.gz GAXYWVJFBYTORL-KFWWJZLASA-N 1 3 340.468 -0.644 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001371613888 1135984386 /nfs/dbraw/zinc/98/43/86/1135984386.db2.gz ICHNVEWXLMNFNF-JKSUJKDBSA-N 1 3 335.452 -0.222 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374383317 1136681128 /nfs/dbraw/zinc/68/11/28/1136681128.db2.gz JMUMPARYAFDRCN-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672169 1136791035 /nfs/dbraw/zinc/79/10/35/1136791035.db2.gz DWRNFPZAJCGUFB-JSGCOSHPSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672169 1136791037 /nfs/dbraw/zinc/79/10/37/1136791037.db2.gz DWRNFPZAJCGUFB-JSGCOSHPSA-N 1 3 326.441 -0.936 20 0 EBADHO NC(=O)c1cccc(CNC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001374674304 1136792661 /nfs/dbraw/zinc/79/26/61/1136792661.db2.gz XZZFESDACFMKTI-HNNXBMFYSA-N 1 3 346.431 -0.552 20 0 EBADHO CN(C)Cc1cccc(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)c1 ZINC001374686077 1136801771 /nfs/dbraw/zinc/80/17/71/1136801771.db2.gz RWAOZELIKFSWSV-MRXNPFEDSA-N 1 3 348.447 -0.339 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000665764238 545696647 /nfs/dbraw/zinc/69/66/47/545696647.db2.gz YWORGIPAZHKJEF-RRFJBIMHSA-N 1 3 330.473 -0.357 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000665764238 545696648 /nfs/dbraw/zinc/69/66/48/545696648.db2.gz YWORGIPAZHKJEF-RRFJBIMHSA-N 1 3 330.473 -0.357 20 0 EBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000643577010 375911485 /nfs/dbraw/zinc/91/14/85/375911485.db2.gz YNFXLROKIJMJRF-UONOGXRCSA-N 1 3 325.457 -0.923 20 0 EBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643570002 375908020 /nfs/dbraw/zinc/90/80/20/375908020.db2.gz YGRAMSVCLLCKFH-HNNXBMFYSA-N 1 3 331.420 -0.059 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C1 ZINC000643591010 375917610 /nfs/dbraw/zinc/91/76/10/375917610.db2.gz GSOGCGXHANIKJS-HUUCEWRRSA-N 1 3 337.468 -0.826 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCO1 ZINC000642768952 376088768 /nfs/dbraw/zinc/08/87/68/376088768.db2.gz UTKHUQMQSSVUBE-HUBLWGQQSA-N 1 3 344.481 -0.886 20 0 EBADHO C[C@@H](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCCCC1 ZINC000584043642 376061501 /nfs/dbraw/zinc/06/15/01/376061501.db2.gz ZQZKIFAFIUYFGU-GJZGRUSLSA-N 1 3 339.484 -0.532 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642785921 376144249 /nfs/dbraw/zinc/14/42/49/376144249.db2.gz QRYLAMDJXVTDRK-UBHSHLNASA-N 1 3 338.452 -0.184 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785921 376144255 /nfs/dbraw/zinc/14/42/55/376144255.db2.gz QRYLAMDJXVTDRK-UBHSHLNASA-N 1 3 338.452 -0.184 20 0 EBADHO O[C@@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722749 376212943 /nfs/dbraw/zinc/21/29/43/376212943.db2.gz ULEBFQHFVHHNKJ-DLBZAZTESA-N 1 3 331.420 -0.134 20 0 EBADHO O[C@@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722749 376212945 /nfs/dbraw/zinc/21/29/45/376212945.db2.gz ULEBFQHFVHHNKJ-DLBZAZTESA-N 1 3 331.420 -0.134 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565882983 376226317 /nfs/dbraw/zinc/22/63/17/376226317.db2.gz XSPGTGYXHRWWFO-LSDHHAIUSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565882983 376226322 /nfs/dbraw/zinc/22/63/22/376226322.db2.gz XSPGTGYXHRWWFO-LSDHHAIUSA-N 1 3 339.484 -0.676 20 0 EBADHO CO[C@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000558355856 376248390 /nfs/dbraw/zinc/24/83/90/376248390.db2.gz SWJDMKQKNZRIQP-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892963 376527966 /nfs/dbraw/zinc/52/79/66/376527966.db2.gz JRSYOKZCLDHNBA-HUUCEWRRSA-N 1 3 337.468 -0.907 20 0 EBADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000562820308 377001226 /nfs/dbraw/zinc/00/12/26/377001226.db2.gz FIHVSFGEGKZRNV-AWEZNQCLSA-N 1 3 348.451 -0.175 20 0 EBADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000635929357 377137886 /nfs/dbraw/zinc/13/78/86/377137886.db2.gz UASXOEFMELFPBT-JKSUJKDBSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000635929357 377137896 /nfs/dbraw/zinc/13/78/96/377137896.db2.gz UASXOEFMELFPBT-JKSUJKDBSA-N 1 3 343.468 -0.361 20 0 EBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000569891105 377181257 /nfs/dbraw/zinc/18/12/57/377181257.db2.gz PHOONYLBMFAVSG-HOTGVXAUSA-N 1 3 342.484 -0.836 20 0 EBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000569891105 377181263 /nfs/dbraw/zinc/18/12/63/377181263.db2.gz PHOONYLBMFAVSG-HOTGVXAUSA-N 1 3 342.484 -0.836 20 0 EBADHO CN(C)CC(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)CN(C)C ZINC000570537502 377254529 /nfs/dbraw/zinc/25/45/29/377254529.db2.gz IHIWMXWFJZFJDN-UHFFFAOYSA-N 1 3 341.500 -0.508 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000570827628 377290222 /nfs/dbraw/zinc/29/02/22/377290222.db2.gz TWHBJMLDEYUXKN-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@H](CN)C1 ZINC000570919188 377299798 /nfs/dbraw/zinc/29/97/98/377299798.db2.gz IBSONJAPVYZCDZ-PBHICJAKSA-N 1 3 337.468 -0.968 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@H](CN)C1 ZINC000570919188 377299804 /nfs/dbraw/zinc/29/98/04/377299804.db2.gz IBSONJAPVYZCDZ-PBHICJAKSA-N 1 3 337.468 -0.968 20 0 EBADHO C[NH2+]C[C@@](C)(O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000580205156 377396575 /nfs/dbraw/zinc/39/65/75/377396575.db2.gz TXWZAXNSXLDCAC-QGZVFWFLSA-N 1 3 326.485 -0.167 20 0 EBADHO C[NH+](C)CCN1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000636534018 377559807 /nfs/dbraw/zinc/55/98/07/377559807.db2.gz FRCSVZOKXXGMFI-HNNXBMFYSA-N 1 3 327.473 -0.622 20 0 EBADHO CCOC(=O)C[C@H](O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000599328608 378230421 /nfs/dbraw/zinc/23/04/21/378230421.db2.gz AXNJCGZJVMAFIB-AWEZNQCLSA-N 1 3 329.441 -0.310 20 0 EBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)CC1 ZINC000636791989 378397521 /nfs/dbraw/zinc/39/75/21/378397521.db2.gz NSPOZJAOHVASPV-GDBMZVCRSA-N 1 3 339.484 -0.479 20 0 EBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)CC1 ZINC000636791989 378397525 /nfs/dbraw/zinc/39/75/25/378397525.db2.gz NSPOZJAOHVASPV-GDBMZVCRSA-N 1 3 339.484 -0.479 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000337855540 378702533 /nfs/dbraw/zinc/70/25/33/378702533.db2.gz ZABKJKABXHSNGA-RDBSUJKOSA-N 1 3 326.441 -0.448 20 0 EBADHO CN1CCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000112924214 378896558 /nfs/dbraw/zinc/89/65/58/378896558.db2.gz QOWUUXVUKXCWMM-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000112924214 378896563 /nfs/dbraw/zinc/89/65/63/378896563.db2.gz QOWUUXVUKXCWMM-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](CN)C1 ZINC000563633648 379061593 /nfs/dbraw/zinc/06/15/93/379061593.db2.gz RRYONLVTGPNKMK-CYBMUJFWSA-N 1 3 339.484 -0.487 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629788337 379131425 /nfs/dbraw/zinc/13/14/25/379131425.db2.gz PGJFRJYVKROESO-WDEREUQCSA-N 1 3 338.374 -0.008 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000629792430 379138406 /nfs/dbraw/zinc/13/84/06/379138406.db2.gz NZHOODWAWFIJOR-CQSZACIVSA-N 1 3 326.441 -0.493 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000627296871 379143662 /nfs/dbraw/zinc/14/36/62/379143662.db2.gz VSSTZVALRJGMIJ-HZSPNIEDSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000571345366 379146938 /nfs/dbraw/zinc/14/69/38/379146938.db2.gz NBLLEHGWDBQAEE-AWEZNQCLSA-N 1 3 334.420 -0.279 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000340017408 379149584 /nfs/dbraw/zinc/14/95/84/379149584.db2.gz XMZYASUZWOXVAU-OLZOCXBDSA-N 1 3 337.472 -0.354 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000458443764 379223293 /nfs/dbraw/zinc/22/32/93/379223293.db2.gz UIGMMUXPGWPEDL-CABCVRRESA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000458443764 379223303 /nfs/dbraw/zinc/22/33/03/379223303.db2.gz UIGMMUXPGWPEDL-CABCVRRESA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312114 379304153 /nfs/dbraw/zinc/30/41/53/379304153.db2.gz PTCROBQSRXCZNG-KGLIPLIRSA-N 1 3 328.457 -0.295 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312057 379304582 /nfs/dbraw/zinc/30/45/82/379304582.db2.gz NWYQZMNDQXTGDL-ZIAGYGMSSA-N 1 3 340.468 -0.153 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313996 379311828 /nfs/dbraw/zinc/31/18/28/379311828.db2.gz RFRZYKKSGAHPJO-KCQAQPDRSA-N 1 3 337.468 -0.862 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[NH2+]1 ZINC000627334035 379350465 /nfs/dbraw/zinc/35/04/65/379350465.db2.gz DAEXHLUDPGYYBD-KGLIPLIRSA-N 1 3 339.484 -0.615 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)CN1CCN(C)CC1 ZINC000627398618 379583016 /nfs/dbraw/zinc/58/30/16/379583016.db2.gz QXKDDAGXJPKJGU-ILXRZTDVSA-N 1 3 339.484 -0.757 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000627425348 379592972 /nfs/dbraw/zinc/59/29/72/379592972.db2.gz MUZOUTSVNPYXEJ-KBPBESRZSA-N 1 3 338.452 -0.256 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627428630 379595777 /nfs/dbraw/zinc/59/57/77/379595777.db2.gz KSJCZEWPQVEGAA-AWEZNQCLSA-N 1 3 340.468 -0.153 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627428750 379596119 /nfs/dbraw/zinc/59/61/19/379596119.db2.gz NKIZUENGDQAVHK-AWEZNQCLSA-N 1 3 328.457 -0.295 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627364262 379565361 /nfs/dbraw/zinc/56/53/61/379565361.db2.gz KXZJLRUBDOXQOO-LSDHHAIUSA-N 1 3 339.484 -0.613 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000642084341 379566459 /nfs/dbraw/zinc/56/64/59/379566459.db2.gz CTYOEAKTNIHCEI-KGLIPLIRSA-N 1 3 340.468 -0.058 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000627385258 379576891 /nfs/dbraw/zinc/57/68/91/379576891.db2.gz DYCKBSQUWLRIPO-UHFFFAOYSA-N 1 3 326.441 -0.445 20 0 EBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488702 379637085 /nfs/dbraw/zinc/63/70/85/379637085.db2.gz GRBDHMGRHJNXQT-OKILXGFUSA-N 1 3 328.457 -0.153 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCOCC1 ZINC000627456017 379605852 /nfs/dbraw/zinc/60/58/52/379605852.db2.gz VPZMHGYVOBKYDC-AWEZNQCLSA-N 1 3 338.452 -0.303 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000627464167 379611954 /nfs/dbraw/zinc/61/19/54/379611954.db2.gz SPDJOUOKMFPDPL-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C[NH2+]1 ZINC000627476653 379625243 /nfs/dbraw/zinc/62/52/43/379625243.db2.gz IWOUSTJLSOBICZ-KGLIPLIRSA-N 1 3 331.420 -0.013 20 0 EBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNC[C@H]1c1ccncc1 ZINC000631943402 379787913 /nfs/dbraw/zinc/78/79/13/379787913.db2.gz VJEWMWUVAAYOBE-HNNXBMFYSA-N 1 3 339.465 -0.044 20 0 EBADHO CN(C)CCn1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000637820982 379868242 /nfs/dbraw/zinc/86/82/42/379868242.db2.gz KOTAKUXMYKPNTN-ZDUSSCGKSA-N 1 3 336.440 -0.628 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627211823 379839251 /nfs/dbraw/zinc/83/92/51/379839251.db2.gz HOLZHXAQJNZTNF-OAHLLOKOSA-N 1 3 327.473 -0.227 20 0 EBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000637799311 379843869 /nfs/dbraw/zinc/84/38/69/379843869.db2.gz XWAVUGOCBVUQTM-KRWDZBQOSA-N 1 3 333.480 -0.143 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627152857 379818201 /nfs/dbraw/zinc/81/82/01/379818201.db2.gz HMLGBXKPVDCCLS-HNNXBMFYSA-N 1 3 339.484 -0.084 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000633139011 379947681 /nfs/dbraw/zinc/94/76/81/379947681.db2.gz GBAKPQAWEPHYSZ-KFWWJZLASA-N 1 3 337.468 -0.827 20 0 EBADHO COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCCN1 ZINC000638089335 380114966 /nfs/dbraw/zinc/11/49/66/380114966.db2.gz NXUFYTKCVQNBOP-YOEHRIQHSA-N 1 3 340.468 -0.151 20 0 EBADHO COC[C@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCCN1 ZINC000638089335 380114977 /nfs/dbraw/zinc/11/49/77/380114977.db2.gz NXUFYTKCVQNBOP-YOEHRIQHSA-N 1 3 340.468 -0.151 20 0 EBADHO O=C(CN1CCC[NH2+]CC1)NCc1cn(CCN2CCCC2)nn1 ZINC000630618097 380120765 /nfs/dbraw/zinc/12/07/65/380120765.db2.gz MWQGNSKEXDSQIS-UHFFFAOYSA-N 1 3 335.456 -0.715 20 0 EBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000638096827 380128541 /nfs/dbraw/zinc/12/85/41/380128541.db2.gz NELQXVWCZBIBQT-VBQJREDUSA-N 1 3 340.468 -0.188 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638098969 380130105 /nfs/dbraw/zinc/13/01/05/380130105.db2.gz QVLFXSINPYUIMF-RHSMWYFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CCN(CCNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638135503 380194780 /nfs/dbraw/zinc/19/47/80/380194780.db2.gz CAVOWFWYOUSBOS-KRWDZBQOSA-N 1 3 333.480 -0.191 20 0 EBADHO CN1CCN(CCNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638135503 380194786 /nfs/dbraw/zinc/19/47/86/380194786.db2.gz CAVOWFWYOUSBOS-KRWDZBQOSA-N 1 3 333.480 -0.191 20 0 EBADHO CN1CCN(C)[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638138830 380202552 /nfs/dbraw/zinc/20/25/52/380202552.db2.gz HHLRNWKNAFHUKM-IRXDYDNUSA-N 1 3 333.480 -0.192 20 0 EBADHO CN1CCN(C)[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638138830 380202557 /nfs/dbraw/zinc/20/25/57/380202557.db2.gz HHLRNWKNAFHUKM-IRXDYDNUSA-N 1 3 333.480 -0.192 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000340213502 380262378 /nfs/dbraw/zinc/26/23/78/380262378.db2.gz GTURBQYNPVOKRU-CQSZACIVSA-N 1 3 328.457 -0.471 20 0 EBADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000551192473 380263655 /nfs/dbraw/zinc/26/36/55/380263655.db2.gz ZPHFSFSGZFQSKG-UHFFFAOYSA-N 1 3 335.452 -0.042 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000551170673 380264038 /nfs/dbraw/zinc/26/40/38/380264038.db2.gz VTYMVVSIEIBVGI-HNNXBMFYSA-N 1 3 341.500 -0.413 20 0 EBADHO C[C@@H](Cn1ccnc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551399996 380266054 /nfs/dbraw/zinc/26/60/54/380266054.db2.gz DQQQFQUJBPQJHP-AWEZNQCLSA-N 1 3 338.456 -0.660 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564430386 380372798 /nfs/dbraw/zinc/37/27/98/380372798.db2.gz COQYMAOJTCEMFZ-HZPDHXFCSA-N 1 3 339.484 -0.214 20 0 EBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000564827216 380380615 /nfs/dbraw/zinc/38/06/15/380380615.db2.gz GCYUDWLRYCELLX-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340482307 380512329 /nfs/dbraw/zinc/51/23/29/380512329.db2.gz FPPROKSYLVYYMF-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340482307 380512332 /nfs/dbraw/zinc/51/23/32/380512332.db2.gz FPPROKSYLVYYMF-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000567645102 380534128 /nfs/dbraw/zinc/53/41/28/380534128.db2.gz IZPYHWUEOBPTOB-CQSZACIVSA-N 1 3 327.473 -0.851 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109016 380573628 /nfs/dbraw/zinc/57/36/28/380573628.db2.gz WKJCODWJQGRFOU-RKVPGOIHSA-N 1 3 328.416 -0.312 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000569211776 380633699 /nfs/dbraw/zinc/63/36/99/380633699.db2.gz HOFXMDKMINVOMC-QGZVFWFLSA-N 1 3 339.484 -0.850 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000569240898 380635537 /nfs/dbraw/zinc/63/55/37/380635537.db2.gz XTYQPQLINBMLBB-GJZGRUSLSA-N 1 3 329.489 -0.199 20 0 EBADHO COC[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000573807111 380687175 /nfs/dbraw/zinc/68/71/75/380687175.db2.gz FQCQBXJSGPRYEG-AWEZNQCLSA-N 1 3 328.457 -0.567 20 0 EBADHO COC[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000573807111 380687182 /nfs/dbraw/zinc/68/71/82/380687182.db2.gz FQCQBXJSGPRYEG-AWEZNQCLSA-N 1 3 328.457 -0.567 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000574040549 380698141 /nfs/dbraw/zinc/69/81/41/380698141.db2.gz OBODDBYQUPVSBG-CHWSQXEVSA-N 1 3 327.473 -0.629 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000574617446 380717130 /nfs/dbraw/zinc/71/71/30/380717130.db2.gz IUIXOWZYFIAJLS-CYBMUJFWSA-N 1 3 330.498 -0.098 20 0 EBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000575195942 380734289 /nfs/dbraw/zinc/73/42/89/380734289.db2.gz AIZFTDCGONDNEC-ZNMIVQPWSA-N 1 3 338.452 -0.450 20 0 EBADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)C(C)C ZINC000576493498 380774429 /nfs/dbraw/zinc/77/44/29/380774429.db2.gz HAJSWXBISGOKBK-OAHLLOKOSA-N 1 3 341.500 -0.287 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577084739 380801967 /nfs/dbraw/zinc/80/19/67/380801967.db2.gz FZKKEETUDZHNRA-ZIAGYGMSSA-N 1 3 325.457 -0.922 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000577825152 380845607 /nfs/dbraw/zinc/84/56/07/380845607.db2.gz IZRXMJOZNLHXLR-CQSZACIVSA-N 1 3 342.484 -0.442 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)N1CCN(C)CC1 ZINC000180930207 380927152 /nfs/dbraw/zinc/92/71/52/380927152.db2.gz ZPJCMUOEXARXHQ-UHFFFAOYSA-N 1 3 325.501 -0.282 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)N1CCN(C)CC1 ZINC000180930207 380927162 /nfs/dbraw/zinc/92/71/62/380927162.db2.gz ZPJCMUOEXARXHQ-UHFFFAOYSA-N 1 3 325.501 -0.282 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)N1CCN(C)CC1 ZINC000180930207 380927172 /nfs/dbraw/zinc/92/71/72/380927172.db2.gz ZPJCMUOEXARXHQ-UHFFFAOYSA-N 1 3 325.501 -0.282 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000582606747 381053802 /nfs/dbraw/zinc/05/38/02/381053802.db2.gz UHMHHPHBTVVNQG-HZSPNIEDSA-N 1 3 327.473 -0.772 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCOCC1 ZINC000582680456 381057499 /nfs/dbraw/zinc/05/74/99/381057499.db2.gz RPECJBXPLCQANT-UHFFFAOYSA-N 1 3 328.457 -0.519 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1nc2ccccn2c1=O ZINC000617504301 381037558 /nfs/dbraw/zinc/03/75/58/381037558.db2.gz OVUBPBIHTJBUDT-AWEZNQCLSA-N 1 3 348.451 -0.116 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1nc2ccccn2c1=O ZINC000617504301 381037565 /nfs/dbraw/zinc/03/75/65/381037565.db2.gz OVUBPBIHTJBUDT-AWEZNQCLSA-N 1 3 348.451 -0.116 20 0 EBADHO C[C@@]12CN(CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000639944985 381154008 /nfs/dbraw/zinc/15/40/08/381154008.db2.gz HADMVJDCYJZLRY-ROUUACIJSA-N 1 3 348.447 -0.286 20 0 EBADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418391389 381123853 /nfs/dbraw/zinc/12/38/53/381123853.db2.gz VKKOLSOCEPVMOP-CVEARBPZSA-N 1 3 347.463 -0.063 20 0 EBADHO C[C@H](CO)N1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231576 381189058 /nfs/dbraw/zinc/18/90/58/381189058.db2.gz NSCZRYSZWBFZFL-HUUCEWRRSA-N 1 3 340.468 -0.688 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418404332 381203256 /nfs/dbraw/zinc/20/32/56/381203256.db2.gz QEFWSSZDKNAYNH-AWEZNQCLSA-N 1 3 325.457 -0.081 20 0 EBADHO CC(C)C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(=O)NCCN(C)C ZINC000418673390 381254426 /nfs/dbraw/zinc/25/44/26/381254426.db2.gz OSRKSCSLMYAOFF-RFQIPJPRSA-N 1 3 325.457 -0.404 20 0 EBADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000347440267 381221145 /nfs/dbraw/zinc/22/11/45/381221145.db2.gz ZFZXYAMSFHUEDI-CVEARBPZSA-N 1 3 342.484 -0.022 20 0 EBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2CNCCO2)([NH+](C)C)C1 ZINC000418925025 381341897 /nfs/dbraw/zinc/34/18/97/381341897.db2.gz PVYGSMQEIHIIBU-KEYYUXOJSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419020959 381355661 /nfs/dbraw/zinc/35/56/61/381355661.db2.gz GMZGOQQQYDTOMB-CYBMUJFWSA-N 1 3 328.457 -0.607 20 0 EBADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419028051 381357688 /nfs/dbraw/zinc/35/76/88/381357688.db2.gz PTILXXJGEKKOHI-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419028051 381357691 /nfs/dbraw/zinc/35/76/91/381357691.db2.gz PTILXXJGEKKOHI-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419084657 381364339 /nfs/dbraw/zinc/36/43/39/381364339.db2.gz YXWVCZITPVKMSD-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419084659 381364856 /nfs/dbraw/zinc/36/48/56/381364856.db2.gz YXWVCZITPVKMSD-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419125284 381384532 /nfs/dbraw/zinc/38/45/32/381384532.db2.gz SXHNRKGBFKZTSQ-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419123864 381384576 /nfs/dbraw/zinc/38/45/76/381384576.db2.gz QHUSRTUOSCBYRD-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(CC[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168984 381390949 /nfs/dbraw/zinc/39/09/49/381390949.db2.gz TWNDQKKYVQTNKP-INIZCTEOSA-N 1 3 348.447 -0.189 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419171273 381393691 /nfs/dbraw/zinc/39/36/91/381393691.db2.gz OSUKSJPKQAILEL-OAHLLOKOSA-N 1 3 339.484 -0.756 20 0 EBADHO [NH3+]CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172747 381393792 /nfs/dbraw/zinc/39/37/92/381393792.db2.gz ZXFFAGHCXYRXNU-HNNXBMFYSA-N 1 3 334.420 -0.531 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419144506 381395914 /nfs/dbraw/zinc/39/59/14/381395914.db2.gz FKLCKFGBUXAPJV-CABCVRRESA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419144508 381395989 /nfs/dbraw/zinc/39/59/89/381395989.db2.gz FKLCKFGBUXAPJV-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419223794 381401393 /nfs/dbraw/zinc/40/13/93/381401393.db2.gz DPSLWZYNQDRDLW-CQSZACIVSA-N 1 3 326.441 -0.853 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419413989 381431686 /nfs/dbraw/zinc/43/16/86/381431686.db2.gz DRNVPKUBQHECNX-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000419691215 381472289 /nfs/dbraw/zinc/47/22/89/381472289.db2.gz DVEIKHZLLHPENZ-GJZGRUSLSA-N 1 3 340.468 -0.058 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000419691215 381472295 /nfs/dbraw/zinc/47/22/95/381472295.db2.gz DVEIKHZLLHPENZ-GJZGRUSLSA-N 1 3 340.468 -0.058 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](CN)C1 ZINC000419691216 381473832 /nfs/dbraw/zinc/47/38/32/381473832.db2.gz DVEIKHZLLHPENZ-HUUCEWRRSA-N 1 3 340.468 -0.058 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H](CN)C1 ZINC000419691216 381473843 /nfs/dbraw/zinc/47/38/43/381473843.db2.gz DVEIKHZLLHPENZ-HUUCEWRRSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000419590182 381460165 /nfs/dbraw/zinc/46/01/65/381460165.db2.gz SZHWYAMFUHTTQM-XJKCOSOUSA-N 1 3 342.509 -0.017 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCSC1 ZINC000419593264 381461710 /nfs/dbraw/zinc/46/17/10/381461710.db2.gz XUBUJOAFIMAVNR-DOMZBBRYSA-N 1 3 328.482 -0.202 20 0 EBADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000419661723 381466737 /nfs/dbraw/zinc/46/67/37/381466737.db2.gz MYHQIYDPTRINFT-OAHLLOKOSA-N 1 3 348.447 -0.155 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419672102 381468757 /nfs/dbraw/zinc/46/87/57/381468757.db2.gz GFPOIYKWSVDUAT-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417885226 381491972 /nfs/dbraw/zinc/49/19/72/381491972.db2.gz YAOIXASPUVOWDK-UMVBOHGHSA-N 1 3 337.468 -0.034 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419782055 381494428 /nfs/dbraw/zinc/49/44/28/381494428.db2.gz STERVWBTAZPBJB-OLZOCXBDSA-N 1 3 326.441 -0.672 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419783969 381494492 /nfs/dbraw/zinc/49/44/92/381494492.db2.gz WCMIKOCWUQRGLU-UONOGXRCSA-N 1 3 340.468 -0.282 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000420415991 381584086 /nfs/dbraw/zinc/58/40/86/381584086.db2.gz BQPNRXPHKDTCIR-ITGUQSILSA-N 1 3 327.454 -0.442 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H](C)C1 ZINC000420179357 381562470 /nfs/dbraw/zinc/56/24/70/381562470.db2.gz BMLWOCVPSPAIJM-KFWWJZLASA-N 1 3 340.468 -0.282 20 0 EBADHO CSCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167412822 381624440 /nfs/dbraw/zinc/62/44/40/381624440.db2.gz BRPUZRAXARCUON-CYBMUJFWSA-N 1 3 328.482 -0.167 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000572228469 381651207 /nfs/dbraw/zinc/65/12/07/381651207.db2.gz XKIJWRHIVHUCEN-LSDHHAIUSA-N 1 3 341.500 -0.558 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCN1C ZINC000418013893 382066761 /nfs/dbraw/zinc/06/67/61/382066761.db2.gz ZZIUZDMHAFNAFF-MCIONIFRSA-N 1 3 325.457 -0.034 20 0 EBADHO CN(C)[C@H]1CCN(C(=O)COCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105600181 382095147 /nfs/dbraw/zinc/09/51/47/382095147.db2.gz MNGRPWCRSQSPQI-KBPBESRZSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cn1 ZINC000444269791 382145694 /nfs/dbraw/zinc/14/56/94/382145694.db2.gz NKBIDMFGZBNKPH-CZUORRHYSA-N 1 3 334.424 -0.501 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000669228330 545827406 /nfs/dbraw/zinc/82/74/06/545827406.db2.gz MJGNJLFRNWNYIF-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000343824177 156171186 /nfs/dbraw/zinc/17/11/86/156171186.db2.gz ARORLTSCNKRHAJ-CABCVRRESA-N 1 3 340.468 -0.105 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000343824177 156171190 /nfs/dbraw/zinc/17/11/90/156171190.db2.gz ARORLTSCNKRHAJ-CABCVRRESA-N 1 3 340.468 -0.105 20 0 EBADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)O1 ZINC000346229220 156392394 /nfs/dbraw/zinc/39/23/94/156392394.db2.gz RUIMGVCGOHATGB-LVEBTZEWSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)CN(C)C)O1 ZINC000346229220 156392396 /nfs/dbraw/zinc/39/23/96/156392396.db2.gz RUIMGVCGOHATGB-LVEBTZEWSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356654036 157083006 /nfs/dbraw/zinc/08/30/06/157083006.db2.gz VUJKWMJBAAIOGX-INIZCTEOSA-N 1 3 327.517 -0.036 20 0 EBADHO C[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356654036 157083013 /nfs/dbraw/zinc/08/30/13/157083013.db2.gz VUJKWMJBAAIOGX-INIZCTEOSA-N 1 3 327.517 -0.036 20 0 EBADHO C[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000356654036 157083019 /nfs/dbraw/zinc/08/30/19/157083019.db2.gz VUJKWMJBAAIOGX-INIZCTEOSA-N 1 3 327.517 -0.036 20 0 EBADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc21 ZINC000357901490 157185704 /nfs/dbraw/zinc/18/57/04/157185704.db2.gz DHRDBOFUBKRFLR-VXGBXAGGSA-N 1 3 334.376 -0.183 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000360270634 157370145 /nfs/dbraw/zinc/37/01/45/157370145.db2.gz FWUJJIBRRDHSTA-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000360570976 157385513 /nfs/dbraw/zinc/38/55/13/157385513.db2.gz BWHKZVOEUSRSMY-LSDHHAIUSA-N 1 3 325.457 -0.314 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662930886 419006442 /nfs/dbraw/zinc/00/64/42/419006442.db2.gz WZKCJXLBVOEFAI-ZDUSSCGKSA-N 1 3 328.457 -0.249 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000650918261 419088152 /nfs/dbraw/zinc/08/81/52/419088152.db2.gz ATXIFJMAMSEKHR-ZIAGYGMSSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000650918261 419088157 /nfs/dbraw/zinc/08/81/57/419088157.db2.gz ATXIFJMAMSEKHR-ZIAGYGMSSA-N 1 3 325.457 -0.116 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000647594776 419122387 /nfs/dbraw/zinc/12/23/87/419122387.db2.gz MNVNCCDPVDQNOO-GJZGRUSLSA-N 1 3 341.500 -0.238 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)n1 ZINC000178764181 419130726 /nfs/dbraw/zinc/13/07/26/419130726.db2.gz QOQHFPSUBTVJMI-UHFFFAOYSA-N 1 3 336.440 -0.015 20 0 EBADHO Cc1ocnc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000516674936 419171245 /nfs/dbraw/zinc/17/12/45/419171245.db2.gz WZPDPOLVBDPRHP-UHFFFAOYSA-N 1 3 325.413 -0.449 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN(CC)CC)C[C@H]1C[NH3+] ZINC000652667987 419247669 /nfs/dbraw/zinc/24/76/69/419247669.db2.gz JZCQEEFWMVGXNR-MGPQQGTHSA-N 1 3 328.457 -0.345 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1=O ZINC000644893975 419261173 /nfs/dbraw/zinc/26/11/73/419261173.db2.gz BIQLCKBWRRUXQG-GOEBONIOSA-N 1 3 342.484 -0.132 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cn1 ZINC000652623206 419241851 /nfs/dbraw/zinc/24/18/51/419241851.db2.gz CQDVOQKEYPAOEB-CYBMUJFWSA-N 1 3 336.440 -0.029 20 0 EBADHO O=C(NCCNc1cc[nH+]cc1)Nc1cnc(N2CCNCC2)nc1 ZINC000415955927 419421576 /nfs/dbraw/zinc/42/15/76/419421576.db2.gz QUUPWNQSTXQAFG-UHFFFAOYSA-N 1 3 342.407 -0.063 20 0 EBADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ncn1 ZINC000525882844 419466927 /nfs/dbraw/zinc/46/69/27/419466927.db2.gz ZQYLNTSBCMTPLP-UHFFFAOYSA-N 1 3 338.412 -0.625 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)C(=O)OC)CC2)CC1 ZINC000519422523 419528538 /nfs/dbraw/zinc/52/85/38/419528538.db2.gz XXJSPXXUOUSKFA-HNNXBMFYSA-N 1 3 341.452 -0.167 20 0 EBADHO CC(C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000358681794 419679523 /nfs/dbraw/zinc/67/95/23/419679523.db2.gz QBHXYYDXRDQUOX-NVXWUHKLSA-N 1 3 341.500 -0.376 20 0 EBADHO CC(C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000358681794 419679526 /nfs/dbraw/zinc/67/95/26/419679526.db2.gz QBHXYYDXRDQUOX-NVXWUHKLSA-N 1 3 341.500 -0.376 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659717436 419786301 /nfs/dbraw/zinc/78/63/01/419786301.db2.gz HVZIXRDUFOZQHG-KBPBESRZSA-N 1 3 326.441 -0.545 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCSC1 ZINC000659702620 419761974 /nfs/dbraw/zinc/76/19/74/419761974.db2.gz SZMBUUCHPKCKFX-WDIPEOLASA-N 1 3 326.466 -0.592 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000659703395 419763121 /nfs/dbraw/zinc/76/31/21/419763121.db2.gz AXNPHVHZHYUIGN-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878737 419814731 /nfs/dbraw/zinc/81/47/31/419814731.db2.gz YHXWTVMNAVNOKV-HUUCEWRRSA-N 1 3 339.484 -0.613 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000419912573 419818692 /nfs/dbraw/zinc/81/86/92/419818692.db2.gz WWRXJXXVEQQVLR-UHFFFAOYSA-N 1 3 349.435 -0.145 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420015169 419833139 /nfs/dbraw/zinc/83/31/39/419833139.db2.gz POZIZMJZCBGGCA-RDBSUJKOSA-N 1 3 340.468 -0.202 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420048998 419834077 /nfs/dbraw/zinc/83/40/77/419834077.db2.gz XXLKQDYTWWKVGG-CHWSQXEVSA-N 1 3 344.456 -0.748 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422090752 419866550 /nfs/dbraw/zinc/86/65/50/419866550.db2.gz JESVYKJHQPMSFA-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422090752 419866555 /nfs/dbraw/zinc/86/65/55/419866555.db2.gz JESVYKJHQPMSFA-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422090755 419866833 /nfs/dbraw/zinc/86/68/33/419866833.db2.gz JESVYKJHQPMSFA-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422090755 419866840 /nfs/dbraw/zinc/86/68/40/419866840.db2.gz JESVYKJHQPMSFA-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422977185 419914492 /nfs/dbraw/zinc/91/44/92/419914492.db2.gz WHLPXWJSFUEJIU-RWMBFGLXSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422977185 419914499 /nfs/dbraw/zinc/91/44/99/419914499.db2.gz WHLPXWJSFUEJIU-RWMBFGLXSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423209271 419922275 /nfs/dbraw/zinc/92/22/75/419922275.db2.gz IUUPWPVUZMXSQP-HUUCEWRRSA-N 1 3 339.484 -0.580 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423212463 419926473 /nfs/dbraw/zinc/92/64/73/419926473.db2.gz LYXPVTTXXBWKLE-HNNXBMFYSA-N 1 3 337.468 -0.953 20 0 EBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000423216941 419926948 /nfs/dbraw/zinc/92/69/48/419926948.db2.gz SRRWOVAQMKUMRY-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000515187296 419979075 /nfs/dbraw/zinc/97/90/75/419979075.db2.gz XDTNZOSWHNVUHH-UHFFFAOYSA-N 1 3 341.500 -0.556 20 0 EBADHO CCO[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000659318568 420529428 /nfs/dbraw/zinc/52/94/28/420529428.db2.gz HGHWMAOTXZDKNA-HNNXBMFYSA-N 1 3 342.484 -0.034 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CNCCC2(F)F)C1 ZINC000649313288 420798116 /nfs/dbraw/zinc/79/81/16/420798116.db2.gz YPVLJSVEAILJOE-NWDGAFQWSA-N 1 3 332.395 -0.065 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CNCCC2(F)F)C1 ZINC000649313288 420798118 /nfs/dbraw/zinc/79/81/18/420798118.db2.gz YPVLJSVEAILJOE-NWDGAFQWSA-N 1 3 332.395 -0.065 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649352781 420803788 /nfs/dbraw/zinc/80/37/88/420803788.db2.gz KFXKLFZPUHEEHI-HOCLYGCPSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649352781 420803792 /nfs/dbraw/zinc/80/37/92/420803792.db2.gz KFXKLFZPUHEEHI-HOCLYGCPSA-N 1 3 339.484 -0.676 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000658779921 420839366 /nfs/dbraw/zinc/83/93/66/420839366.db2.gz UEJSDXVENHXOTB-CYBMUJFWSA-N 1 3 336.440 -0.016 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656025307 420866204 /nfs/dbraw/zinc/86/62/04/420866204.db2.gz GQTWCVMXLJSUIE-SOUVJXGZSA-N 1 3 338.452 -0.386 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656025384 420869415 /nfs/dbraw/zinc/86/94/15/420869415.db2.gz JCFOTODKLMKCOT-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO CCCN1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612006 421006850 /nfs/dbraw/zinc/00/68/50/421006850.db2.gz VJIITCFYMIETOJ-UONOGXRCSA-N 1 3 325.457 -0.033 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659679695 421013588 /nfs/dbraw/zinc/01/35/88/421013588.db2.gz BUESHWFNTVYBHK-CQSZACIVSA-N 1 3 328.457 -0.297 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659677361 421013980 /nfs/dbraw/zinc/01/39/80/421013980.db2.gz OQXFZQURVMWGJZ-CBCUQQMYSA-N 1 3 338.452 -0.528 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CCSC1 ZINC000659702044 421017085 /nfs/dbraw/zinc/01/70/85/421017085.db2.gz MVNKGNCXPAQOMC-HNNXBMFYSA-N 1 3 328.482 -0.072 20 0 EBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659713013 421018212 /nfs/dbraw/zinc/01/82/12/421018212.db2.gz AAUZUNXDPVMEIU-CABCVRRESA-N 1 3 338.452 -0.386 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659709474 421018942 /nfs/dbraw/zinc/01/89/42/421018942.db2.gz JOUOQMKACYWKKC-AWEZNQCLSA-N 1 3 341.500 -0.428 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)CN1CCN(C)CC1 ZINC000659710783 421018982 /nfs/dbraw/zinc/01/89/82/421018982.db2.gz UUJSWUGNANNMJE-CQSZACIVSA-N 1 3 339.484 -0.626 20 0 EBADHO CCN1CCN(Cc2ccc(CNC(=O)C3(O)CNC3)cc2)CC1 ZINC000662758790 421099743 /nfs/dbraw/zinc/09/97/43/421099743.db2.gz TYSJSLZIMQAKMO-UHFFFAOYSA-N 1 3 332.448 -0.225 20 0 EBADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(O)CNC3)cc2)CC1 ZINC000662758790 421099745 /nfs/dbraw/zinc/09/97/45/421099745.db2.gz TYSJSLZIMQAKMO-UHFFFAOYSA-N 1 3 332.448 -0.225 20 0 EBADHO CN(CCOCC[N@H+](C)C[C@H]1COCCO1)C[C@H]1COCCO1 ZINC000661612899 421072719 /nfs/dbraw/zinc/07/27/19/421072719.db2.gz OWKZQBARFVQHTF-HOTGVXAUSA-N 1 3 332.441 -0.303 20 0 EBADHO CN(CCOCC[N@@H+](C)C[C@H]1COCCO1)C[C@H]1COCCO1 ZINC000661612899 421072724 /nfs/dbraw/zinc/07/27/24/421072724.db2.gz OWKZQBARFVQHTF-HOTGVXAUSA-N 1 3 332.441 -0.303 20 0 EBADHO COCCN(C)CCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663937563 421144445 /nfs/dbraw/zinc/14/44/45/421144445.db2.gz KGXJXWRMSYDKQE-HNNXBMFYSA-N 1 3 328.457 -0.195 20 0 EBADHO COCCN(C)CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663937563 421144449 /nfs/dbraw/zinc/14/44/49/421144449.db2.gz KGXJXWRMSYDKQE-HNNXBMFYSA-N 1 3 328.457 -0.195 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000664083179 421149004 /nfs/dbraw/zinc/14/90/04/421149004.db2.gz ONIUGNRHVUYKHU-JKSUJKDBSA-N 1 3 342.532 -0.197 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000355427926 421192787 /nfs/dbraw/zinc/19/27/87/421192787.db2.gz VAPQRDQWRJLYLK-CYBMUJFWSA-N 1 3 336.440 -0.160 20 0 EBADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000354559986 421219785 /nfs/dbraw/zinc/21/97/85/421219785.db2.gz DCXFWHZZVBJPHZ-ZDUSSCGKSA-N 1 3 338.456 0.228 20 0 EBADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000354559986 421219787 /nfs/dbraw/zinc/21/97/87/421219787.db2.gz DCXFWHZZVBJPHZ-ZDUSSCGKSA-N 1 3 338.456 0.228 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420013019 264913971 /nfs/dbraw/zinc/91/39/71/264913971.db2.gz BMLOWXMPECIBMW-KBPBESRZSA-N 1 3 328.457 -0.343 20 0 EBADHO CN(CC[NH3+])C(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000423563427 265012353 /nfs/dbraw/zinc/01/23/53/265012353.db2.gz HWJSYNHPBVQJDD-GOSISDBHSA-N 1 3 348.447 -0.501 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1=O ZINC000424230270 265051752 /nfs/dbraw/zinc/05/17/52/265051752.db2.gz ZSPXBBHRKIAVGX-VHDGCEQUSA-N 1 3 348.451 -0.917 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnn(C)n1 ZINC000427145085 265103328 /nfs/dbraw/zinc/10/33/28/265103328.db2.gz QRDWNBTVWMSCQA-ZDUSSCGKSA-N 1 3 338.460 -0.232 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnn(C)n1 ZINC000427145085 265103335 /nfs/dbraw/zinc/10/33/35/265103335.db2.gz QRDWNBTVWMSCQA-ZDUSSCGKSA-N 1 3 338.460 -0.232 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CSCCN2)C1 ZINC000434867562 265216738 /nfs/dbraw/zinc/21/67/38/265216738.db2.gz FNLVTNJKUCVWLN-STQMWFEESA-N 1 3 328.482 -0.215 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CSCCN2)C1 ZINC000434867562 265216741 /nfs/dbraw/zinc/21/67/41/265216741.db2.gz FNLVTNJKUCVWLN-STQMWFEESA-N 1 3 328.482 -0.215 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCC(=O)N1CCOCC1 ZINC000530880765 272901683 /nfs/dbraw/zinc/90/16/83/272901683.db2.gz GLGXICDNUCBHDW-UHFFFAOYSA-N 1 3 328.457 -0.423 20 0 EBADHO CN1CCC2(CCCN2C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000360270499 289166843 /nfs/dbraw/zinc/16/68/43/289166843.db2.gz FGTRGGAUIKELCF-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000332347035 289367727 /nfs/dbraw/zinc/36/77/27/289367727.db2.gz AFHJVVOYHCZZJF-CABCVRRESA-N 1 3 337.468 -0.955 20 0 EBADHO CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102811845 521813540 /nfs/dbraw/zinc/81/35/40/521813540.db2.gz WYXOMOKMPDQSTI-HNNXBMFYSA-N 1 3 336.436 -0.232 20 0 EBADHO CN(C)[C@H]1CCN(C(=O)COCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000105600179 522050933 /nfs/dbraw/zinc/05/09/33/522050933.db2.gz MNGRPWCRSQSPQI-OKILXGFUSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(C)[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105600179 522050936 /nfs/dbraw/zinc/05/09/36/522050936.db2.gz MNGRPWCRSQSPQI-OKILXGFUSA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668672404 545733375 /nfs/dbraw/zinc/73/33/75/545733375.db2.gz PHITVWIKOMRZCF-ZFWWWQNUSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670178331 545970136 /nfs/dbraw/zinc/97/01/36/545970136.db2.gz IXMXDYLELJIGIC-UHFFFAOYSA-N 1 3 349.501 -0.799 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672309165 546091342 /nfs/dbraw/zinc/09/13/42/546091342.db2.gz HQRAGHQATKNBSI-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000676095940 546195174 /nfs/dbraw/zinc/19/51/74/546195174.db2.gz XPWCPKSORFVPPB-ZDUSSCGKSA-N 1 3 336.440 -0.207 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099674 546196738 /nfs/dbraw/zinc/19/67/38/546196738.db2.gz LCXJNGJPFUULNO-DOMZBBRYSA-N 1 3 348.451 -0.018 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(C(C)(C)CO)CC2)CC1 ZINC000679315589 546269463 /nfs/dbraw/zinc/26/94/63/546269463.db2.gz DPIJPEAFRDDFOG-UHFFFAOYSA-N 1 3 326.485 -0.071 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000681167542 546300951 /nfs/dbraw/zinc/30/09/51/546300951.db2.gz GJQHAADKPRYVDZ-WNRNVDISSA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000681167542 546300953 /nfs/dbraw/zinc/30/09/53/546300953.db2.gz GJQHAADKPRYVDZ-WNRNVDISSA-N 1 3 336.432 -0.458 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)C1 ZINC000682613225 546337058 /nfs/dbraw/zinc/33/70/58/546337058.db2.gz GUSFCWKGUJLORE-MRXNPFEDSA-N 1 3 341.500 -0.014 20 0 EBADHO COCCOCC[N@H+](C)CCC(=O)N1CCN(C)CCN(C)CC1 ZINC000888979291 582559525 /nfs/dbraw/zinc/55/95/25/582559525.db2.gz NVPCSUKRSBIASY-UHFFFAOYSA-N 1 3 344.500 -0.323 20 0 EBADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN(C)CCN(C)CC1 ZINC000888979291 582559526 /nfs/dbraw/zinc/55/95/26/582559526.db2.gz NVPCSUKRSBIASY-UHFFFAOYSA-N 1 3 344.500 -0.323 20 0 EBADHO O[C@@H]1CCN(CCNc2nccc(NCC[N@@H+]3CC[C@@H](O)C3)n2)C1 ZINC000894782289 582634837 /nfs/dbraw/zinc/63/48/37/582634837.db2.gz UPNMLUAIAJAEDN-ZIAGYGMSSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@@H]1CCN(CCNc2nccc(NCC[N@H+]3CC[C@@H](O)C3)n2)C1 ZINC000894782289 582634838 /nfs/dbraw/zinc/63/48/38/582634838.db2.gz UPNMLUAIAJAEDN-ZIAGYGMSSA-N 1 3 336.440 -0.566 20 0 EBADHO O=C(CN1CCNCC1)NCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740093 582755285 /nfs/dbraw/zinc/75/52/85/582755285.db2.gz DHYAQXOFNRKRCN-CQSZACIVSA-N 1 3 335.456 -0.811 20 0 EBADHO CN1CCC[C@@](O)(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000900513434 582771026 /nfs/dbraw/zinc/77/10/26/582771026.db2.gz WQECGKCDDNTVDK-WMLDXEAASA-N 1 3 340.468 -0.463 20 0 EBADHO CN1CCC[C@@](O)(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000900513434 582771027 /nfs/dbraw/zinc/77/10/27/582771027.db2.gz WQECGKCDDNTVDK-WMLDXEAASA-N 1 3 340.468 -0.463 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)C2 ZINC000903490960 582809337 /nfs/dbraw/zinc/80/93/37/582809337.db2.gz OSYAEUSBYJALRO-MPZWGZMNSA-N 1 3 339.436 -0.166 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NC[C@@H]1CCCO1)C2 ZINC000903493158 582809713 /nfs/dbraw/zinc/80/97/13/582809713.db2.gz VTGGPDJFIRSTHL-RBUCKAEESA-N 1 3 339.436 -0.118 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903731447 582814694 /nfs/dbraw/zinc/81/46/94/582814694.db2.gz GLNWWLAJLCHSFC-UONOGXRCSA-N 1 3 340.468 -0.249 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903738039 582816428 /nfs/dbraw/zinc/81/64/28/582816428.db2.gz HPVYGTKRQVTUGO-ZIAGYGMSSA-N 1 3 328.457 -0.534 20 0 EBADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000746423866 583106852 /nfs/dbraw/zinc/10/68/52/583106852.db2.gz XRUCNHUFVXVLIM-ZDUSSCGKSA-N 1 3 336.440 -0.016 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@]3(CC[N@H+](C)C3)C1)C2=O ZINC000793764331 583570139 /nfs/dbraw/zinc/57/01/39/583570139.db2.gz GVADMBBDCJFFKP-INIZCTEOSA-N 1 3 335.452 -0.012 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@]3(CC[N@@H+](C)C3)C1)C2=O ZINC000793764331 583570140 /nfs/dbraw/zinc/57/01/40/583570140.db2.gz GVADMBBDCJFFKP-INIZCTEOSA-N 1 3 335.452 -0.012 20 0 EBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804056442 583639424 /nfs/dbraw/zinc/63/94/24/583639424.db2.gz KSVDGLHPAOTMEV-KFWWJZLASA-N 1 3 338.452 -0.482 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804057245 583640086 /nfs/dbraw/zinc/64/00/86/583640086.db2.gz OKLMLJDQISSELJ-RBSFLKMASA-N 1 3 340.468 -0.188 20 0 EBADHO CCc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C ZINC000817385884 583726700 /nfs/dbraw/zinc/72/67/00/583726700.db2.gz MERNHOUSOHXBLP-UHFFFAOYSA-N 1 3 338.456 -0.127 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000830079751 583963254 /nfs/dbraw/zinc/96/32/54/583963254.db2.gz QOIQPBUDQSFEPI-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000842015759 584056361 /nfs/dbraw/zinc/05/63/61/584056361.db2.gz MYLNWCVMVQXREU-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842163911 584058508 /nfs/dbraw/zinc/05/85/08/584058508.db2.gz ASVYMTSIBUYBFU-SOUVJXGZSA-N 1 3 340.468 -0.202 20 0 EBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842163909 584058521 /nfs/dbraw/zinc/05/85/21/584058521.db2.gz ASVYMTSIBUYBFU-RBSFLKMASA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@]1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC[NH2+]C1 ZINC000842163960 584058604 /nfs/dbraw/zinc/05/86/04/584058604.db2.gz CRXMIPTXOXYTBX-ZQIUZPCESA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842165546 584058994 /nfs/dbraw/zinc/05/89/94/584058994.db2.gz ZFTDBYWIKGKOCH-MCIONIFRSA-N 1 3 326.441 -0.545 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000843260833 584074521 /nfs/dbraw/zinc/07/45/21/584074521.db2.gz GRAJUMZMOCHUIU-GZBFAFLISA-N 1 3 340.468 -0.012 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844181062 584090038 /nfs/dbraw/zinc/09/00/38/584090038.db2.gz OETSRDFDSSXGQS-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000867419082 584125533 /nfs/dbraw/zinc/12/55/33/584125533.db2.gz AYFIDLNFMFKUAM-BLLLJJGKSA-N 1 3 344.456 -0.376 20 0 EBADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000867419082 584125534 /nfs/dbraw/zinc/12/55/34/584125534.db2.gz AYFIDLNFMFKUAM-BLLLJJGKSA-N 1 3 344.456 -0.376 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000851684927 584198363 /nfs/dbraw/zinc/19/83/63/584198363.db2.gz NDSLLFPWVMUQKX-MELADBBJSA-N 1 3 326.441 -0.545 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852865584 584217779 /nfs/dbraw/zinc/21/77/79/584217779.db2.gz IOMIJNSJERCNBH-GFCCVEGCSA-N 1 3 325.413 -0.897 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865314 584217837 /nfs/dbraw/zinc/21/78/37/584217837.db2.gz YWTKAWVPPFTRBR-YPMHNXCESA-N 1 3 325.413 -0.851 20 0 EBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874402 584218603 /nfs/dbraw/zinc/21/86/03/584218603.db2.gz OYFGNLMAIXNVFG-AGIUHOORSA-N 1 3 337.424 -0.803 20 0 EBADHO NC[C@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)=NO1 ZINC000852902376 584219706 /nfs/dbraw/zinc/21/97/06/584219706.db2.gz DRDBEWGQUIYLBV-HUUCEWRRSA-N 1 3 332.404 -0.027 20 0 EBADHO NC[C@H]1CC(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)=NO1 ZINC000852902376 584219707 /nfs/dbraw/zinc/21/97/07/584219707.db2.gz DRDBEWGQUIYLBV-HUUCEWRRSA-N 1 3 332.404 -0.027 20 0 EBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCCN2CCOCC2)CC1 ZINC000863549862 584372895 /nfs/dbraw/zinc/37/28/95/584372895.db2.gz SGZWDCOFKZDZMG-JKSUJKDBSA-N 1 3 338.452 -0.034 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868414646 584429036 /nfs/dbraw/zinc/42/90/36/584429036.db2.gz HSGGGOHKVQZITR-OAHLLOKOSA-N 1 3 339.484 -0.578 20 0 EBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004344 584451075 /nfs/dbraw/zinc/45/10/75/584451075.db2.gz KEAJMUFNDHMYAS-RQJABVFESA-N 1 3 338.408 -0.852 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752779 584521969 /nfs/dbraw/zinc/52/19/69/584521969.db2.gz YNBLSYNUPYJGEL-ZFWWWQNUSA-N 1 3 328.432 -0.053 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876760744 584522815 /nfs/dbraw/zinc/52/28/15/584522815.db2.gz WWUWOOXORACGNJ-AAEUAGOBSA-N 1 3 332.395 -0.115 20 0 EBADHO COCC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)CC1CCN(C)CC1 ZINC000877665284 584533802 /nfs/dbraw/zinc/53/38/02/584533802.db2.gz PBVIYAOQJNFHEJ-UHFFFAOYSA-N 1 3 338.452 -0.126 20 0 EBADHO COCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)CC1CCN(C)CC1 ZINC000877665284 584533804 /nfs/dbraw/zinc/53/38/04/584533804.db2.gz PBVIYAOQJNFHEJ-UHFFFAOYSA-N 1 3 338.452 -0.126 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883638717 584604088 /nfs/dbraw/zinc/60/40/88/584604088.db2.gz VCJUMTIWCGNHRN-UONOGXRCSA-N 1 3 331.420 -0.061 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000884507944 584625025 /nfs/dbraw/zinc/62/50/25/584625025.db2.gz QFTGOZULBKKSSW-OLZOCXBDSA-N 1 3 325.457 -0.923 20 0 EBADHO CCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000884508234 584625090 /nfs/dbraw/zinc/62/50/90/584625090.db2.gz YLGQBDQXPFLBKN-AWEZNQCLSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000884560037 584627262 /nfs/dbraw/zinc/62/72/62/584627262.db2.gz LRQYFOWKQCYCJA-QDEZUTFSSA-N 1 3 336.436 -0.966 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884597942 584629091 /nfs/dbraw/zinc/62/90/91/584629091.db2.gz PEKCJQNSSLFLNX-GASCZTMLSA-N 1 3 337.468 -0.907 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884637657 584630506 /nfs/dbraw/zinc/63/05/06/584630506.db2.gz WPBBMNKKRNYGBU-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884637529 584630561 /nfs/dbraw/zinc/63/05/61/584630561.db2.gz RLVSZGPDEJFBOU-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884637529 584630563 /nfs/dbraw/zinc/63/05/63/584630563.db2.gz RLVSZGPDEJFBOU-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884637658 584630578 /nfs/dbraw/zinc/63/05/78/584630578.db2.gz WPBBMNKKRNYGBU-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884669763 584632555 /nfs/dbraw/zinc/63/25/55/584632555.db2.gz GFNMAIXNSDWKQE-KFWWJZLASA-N 1 3 339.484 -0.676 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1c1ccncc1 ZINC000884678947 584633811 /nfs/dbraw/zinc/63/38/11/584633811.db2.gz PWDGOFOCXBIGDI-IUODEOHRSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690161 584634432 /nfs/dbraw/zinc/63/44/32/584634432.db2.gz OHVVKPACNKYLIW-ZDUSSCGKSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692613 584634824 /nfs/dbraw/zinc/63/48/24/584634824.db2.gz KRXQRMAMNIECOL-ZFWWWQNUSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692613 584634825 /nfs/dbraw/zinc/63/48/25/584634825.db2.gz KRXQRMAMNIECOL-ZFWWWQNUSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884707660 584635298 /nfs/dbraw/zinc/63/52/98/584635298.db2.gz UULBSVXGNDHFQY-SWLSCSKDSA-N 1 3 331.420 -0.028 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787696 584637760 /nfs/dbraw/zinc/63/77/60/584637760.db2.gz ZCHRYERPAACLLM-NWDGAFQWSA-N 1 3 332.395 -0.052 20 0 EBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291683 584647533 /nfs/dbraw/zinc/64/75/33/584647533.db2.gz NOYCUVCPLHCNPA-NEPJUHHUSA-N 1 3 332.395 -0.100 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1=O ZINC000425318371 650009893 /nfs/dbraw/zinc/00/98/93/650009893.db2.gz OMKWROBIMZDJQP-HNNXBMFYSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@](O)(CO)C1 ZINC000665763908 650033024 /nfs/dbraw/zinc/03/30/24/650033024.db2.gz OLWMZTDPHYVOAK-HOCLYGCPSA-N 1 3 330.473 -0.213 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@](O)(CO)C1 ZINC000665763908 650033025 /nfs/dbraw/zinc/03/30/25/650033025.db2.gz OLWMZTDPHYVOAK-HOCLYGCPSA-N 1 3 330.473 -0.213 20 0 EBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)[C@@H]2C1 ZINC000910906832 650139637 /nfs/dbraw/zinc/13/96/37/650139637.db2.gz RRFLYYAGEVMMHJ-BORJPKMPSA-N 1 3 334.464 -0.051 20 0 EBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)[C@@H]2C1 ZINC000910906832 650139648 /nfs/dbraw/zinc/13/96/48/650139648.db2.gz RRFLYYAGEVMMHJ-BORJPKMPSA-N 1 3 334.464 -0.051 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)C1CC1 ZINC000911053143 650148220 /nfs/dbraw/zinc/14/82/20/650148220.db2.gz METGPXDMHUYVMG-AWEZNQCLSA-N 1 3 338.452 -0.447 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911056687 650148580 /nfs/dbraw/zinc/14/85/80/650148580.db2.gz YRXUEQIHSHRTIZ-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCCC12CCOCC2 ZINC000911074116 650149364 /nfs/dbraw/zinc/14/93/64/650149364.db2.gz ZPAIOLBJJLGDGJ-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000911146921 650154189 /nfs/dbraw/zinc/15/41/89/650154189.db2.gz CXYYABJJUILUME-VMUDFCTBSA-N 1 3 336.436 -0.694 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148816 650154463 /nfs/dbraw/zinc/15/44/63/650154463.db2.gz RBOFPPBQQWTMCI-APIJFGDWSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911161161 650155499 /nfs/dbraw/zinc/15/54/99/650155499.db2.gz IFPYEEFIQMVNCR-AWEZNQCLSA-N 1 3 339.484 -0.626 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911176932 650157041 /nfs/dbraw/zinc/15/70/41/650157041.db2.gz QMVOKEYCCNFGKR-KGLIPLIRSA-N 1 3 328.457 -0.486 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201007 650158943 /nfs/dbraw/zinc/15/89/43/650158943.db2.gz VCERFFAEQZZFQV-ABAIWWIYSA-N 1 3 328.482 -0.346 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911269334 650164681 /nfs/dbraw/zinc/16/46/81/650164681.db2.gz JHKVYWTWIHXXBU-CABCVRRESA-N 1 3 339.484 -0.674 20 0 EBADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911333972 650171802 /nfs/dbraw/zinc/17/18/02/650171802.db2.gz WMMBBMUUGVQNGQ-OAHLLOKOSA-N 1 3 339.484 -0.756 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911338165 650172245 /nfs/dbraw/zinc/17/22/45/650172245.db2.gz ZDOBEWIXOGAFOO-CQSZACIVSA-N 1 3 325.457 -0.874 20 0 EBADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 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VACQPBAIVGZNGY-JARUQAPTSA-N 1 3 343.424 -0.734 20 0 EBADHO COC(=O)CCN1CC[C@H](N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923447685 650340995 /nfs/dbraw/zinc/34/09/95/650340995.db2.gz VZNWOCQOYFICIU-KGLIPLIRSA-N 1 3 339.436 -0.020 20 0 EBADHO C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923496436 650342036 /nfs/dbraw/zinc/34/20/36/650342036.db2.gz IILOSHZXMGMJLA-CHWSQXEVSA-N 1 3 334.486 -0.699 20 0 EBADHO CCN(CC)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923606457 650346723 /nfs/dbraw/zinc/34/67/23/650346723.db2.gz OLLVMFPYSFBZAA-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO O=S(=O)(NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CNC1 ZINC000923601836 650346790 /nfs/dbraw/zinc/34/67/90/650346790.db2.gz YCSOEYFOVZENQV-UHFFFAOYSA-N 1 3 339.465 -0.515 20 0 EBADHO CCN(CC)CC(=O)N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923606454 650346962 /nfs/dbraw/zinc/34/69/62/650346962.db2.gz OLLVMFPYSFBZAA-AWEZNQCLSA-N 1 3 346.497 -0.446 20 0 EBADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCNCCNCC1 ZINC000926347590 650387917 /nfs/dbraw/zinc/38/79/17/650387917.db2.gz GEISIQRMDFLWDY-UHFFFAOYSA-N 1 3 341.500 -0.412 20 0 EBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@@H]1C ZINC000926345031 650388112 /nfs/dbraw/zinc/38/81/12/650388112.db2.gz NAWDPRXXOVDJGY-GJZGRUSLSA-N 1 3 339.484 -0.661 20 0 EBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@@H]1C ZINC000926345031 650388114 /nfs/dbraw/zinc/38/81/14/650388114.db2.gz NAWDPRXXOVDJGY-GJZGRUSLSA-N 1 3 339.484 -0.661 20 0 EBADHO CN1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000930175158 651588301 /nfs/dbraw/zinc/58/83/01/651588301.db2.gz QZKPDNMMHMGKNL-HIFRSBDPSA-N 1 3 337.468 -0.909 20 0 EBADHO CN1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000930175158 651588305 /nfs/dbraw/zinc/58/83/05/651588305.db2.gz QZKPDNMMHMGKNL-HIFRSBDPSA-N 1 3 337.468 -0.909 20 0 EBADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000944241015 652724110 /nfs/dbraw/zinc/72/41/10/652724110.db2.gz WDOSRCSZRRVTEY-BPLDGKMQSA-N 1 3 349.435 -0.446 20 0 EBADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000944241015 652724114 /nfs/dbraw/zinc/72/41/14/652724114.db2.gz WDOSRCSZRRVTEY-BPLDGKMQSA-N 1 3 349.435 -0.446 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000946924897 653270548 /nfs/dbraw/zinc/27/05/48/653270548.db2.gz LEURXWMPGWOSSQ-CHWSQXEVSA-N 1 3 326.441 -0.842 20 0 EBADHO O=C(NC[C@H]1CN(CCn2cncn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214909 722328736 /nfs/dbraw/zinc/32/87/36/722328736.db2.gz OJMKLAMVNZHZIZ-LSDHHAIUSA-N 1 3 348.451 -0.685 20 0 EBADHO O=C(NC[C@@H]1CN(CCn2cccn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215258 722328872 /nfs/dbraw/zinc/32/88/72/722328872.db2.gz VHNUMKKMOCBAJH-CVEARBPZSA-N 1 3 347.463 -0.080 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001019000793 728770558 /nfs/dbraw/zinc/77/05/58/728770558.db2.gz QDTUXOPNORXQSZ-KBPBESRZSA-N 1 3 325.457 -0.212 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC1 ZINC000961663279 723054374 /nfs/dbraw/zinc/05/43/74/723054374.db2.gz MLWODKUOXPMFRI-QLPKVWCKSA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019088036 728793053 /nfs/dbraw/zinc/79/30/53/728793053.db2.gz KKYLHORLZNCQIF-STQMWFEESA-N 1 3 334.420 -0.390 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019169909 728815125 /nfs/dbraw/zinc/81/51/25/728815125.db2.gz QAMCQZIANAZZSD-KRIMKBQASA-N 1 3 346.435 -0.668 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000963382002 723414224 /nfs/dbraw/zinc/41/42/24/723414224.db2.gz FNJPENABKNMLRJ-MCIONIFRSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000963382002 723414227 /nfs/dbraw/zinc/41/42/27/723414227.db2.gz FNJPENABKNMLRJ-MCIONIFRSA-N 1 3 338.452 -0.890 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001019290267 728849356 /nfs/dbraw/zinc/84/93/56/728849356.db2.gz YKHGHYLZFKAVSH-XDQVBPFNSA-N 1 3 336.436 -0.288 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001019290267 728849358 /nfs/dbraw/zinc/84/93/58/728849358.db2.gz YKHGHYLZFKAVSH-XDQVBPFNSA-N 1 3 336.436 -0.288 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000964237755 723902444 /nfs/dbraw/zinc/90/24/44/723902444.db2.gz OVLCUXMEDSVRSX-HNNXBMFYSA-N 1 3 349.435 -0.362 20 0 EBADHO CC[C@H](N[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001019497225 728901347 /nfs/dbraw/zinc/90/13/47/728901347.db2.gz PIFMJSHJEOWRAR-KBPBESRZSA-N 1 3 336.440 -0.487 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001019574708 728925466 /nfs/dbraw/zinc/92/54/66/728925466.db2.gz PNDIQTWFLZWRRE-AWEZNQCLSA-N 1 3 338.452 -0.480 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000970102981 725251109 /nfs/dbraw/zinc/25/11/09/725251109.db2.gz JDGSNTZKUUKOLI-QWHCGFSZSA-N 1 3 340.449 -0.033 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC000970357468 725282709 /nfs/dbraw/zinc/28/27/09/725282709.db2.gz PNDIQTWFLZWRRE-CQSZACIVSA-N 1 3 338.452 -0.480 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000970717964 725320064 /nfs/dbraw/zinc/32/00/64/725320064.db2.gz PWAYSCGKRFTIEN-CQSZACIVSA-N 1 3 344.481 -0.692 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234636 725481647 /nfs/dbraw/zinc/48/16/47/725481647.db2.gz IIWKQZXJBQYLCT-HNNXBMFYSA-N 1 3 337.468 -0.114 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000972236394 725482132 /nfs/dbraw/zinc/48/21/32/725482132.db2.gz CJYPEXJXZVPDGT-UMVBOHGHSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000972236394 725482136 /nfs/dbraw/zinc/48/21/36/725482136.db2.gz CJYPEXJXZVPDGT-UMVBOHGHSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714463 725566411 /nfs/dbraw/zinc/56/64/11/725566411.db2.gz YKQQFPHUDJHXHA-HGGZBGRVSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714463 725566415 /nfs/dbraw/zinc/56/64/15/725566415.db2.gz YKQQFPHUDJHXHA-HGGZBGRVSA-N 1 3 348.447 -0.872 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896467 725670721 /nfs/dbraw/zinc/67/07/21/725670721.db2.gz WBDAAFLJIKKQRF-JKSUJKDBSA-N 1 3 334.464 -0.005 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000992061340 725712644 /nfs/dbraw/zinc/71/26/44/725712644.db2.gz YDJRXKPDYIXORW-HNNXBMFYSA-N 1 3 348.451 -0.521 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000976560398 726350725 /nfs/dbraw/zinc/35/07/25/726350725.db2.gz WCRSUQPNGUIDDT-FIDHJVLJSA-N 1 3 346.475 -0.005 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC000996681247 726422088 /nfs/dbraw/zinc/42/20/88/726422088.db2.gz YMLUTOKNRZBGGS-HIFRSBDPSA-N 1 3 336.436 -0.288 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000996963650 726433854 /nfs/dbraw/zinc/43/38/54/726433854.db2.gz GMYDTNJPOJAKSM-DZGCQCFKSA-N 1 3 338.452 -0.042 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997053218 726436055 /nfs/dbraw/zinc/43/60/55/726436055.db2.gz HSSHWHUGRXJGJK-VTPHYOBMSA-N 1 3 348.447 -0.729 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997053218 726436056 /nfs/dbraw/zinc/43/60/56/726436056.db2.gz HSSHWHUGRXJGJK-VTPHYOBMSA-N 1 3 348.447 -0.729 20 0 EBADHO O=C(CN1CCCC1)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000998269942 726482960 /nfs/dbraw/zinc/48/29/60/726482960.db2.gz RQKRTYQKUJJKHS-AWEZNQCLSA-N 1 3 336.436 -0.284 20 0 EBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998537026 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-0.056 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)C1 ZINC001002128478 726633570 /nfs/dbraw/zinc/63/35/70/726633570.db2.gz YFOVPUNUEOPWPM-OAHLLOKOSA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)C1 ZINC001002128478 726633571 /nfs/dbraw/zinc/63/35/71/726633571.db2.gz YFOVPUNUEOPWPM-OAHLLOKOSA-N 1 3 337.468 -0.209 20 0 EBADHO Cn1nccc1CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051905136 735456364 /nfs/dbraw/zinc/45/63/64/735456364.db2.gz ZDSGFFRPTTYFLR-HNNXBMFYSA-N 1 3 333.436 -0.167 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC001051904836 735456474 /nfs/dbraw/zinc/45/64/74/735456474.db2.gz VLTDKKBDDSNQPS-ZDUSSCGKSA-N 1 3 334.424 -0.474 20 0 EBADHO O=C(N[C@@H]1CC12CC[NH+](CCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001016740595 728499995 /nfs/dbraw/zinc/49/99/95/728499995.db2.gz KYLBDOVJLPETEM-QRHJNKNDSA-N 1 3 335.448 -0.187 20 0 EBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020591969 729206448 /nfs/dbraw/zinc/20/64/48/729206448.db2.gz XYGBTQOUXPUXBI-AVGNSLFASA-N 1 3 336.436 -0.240 20 0 EBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020591426 729206572 /nfs/dbraw/zinc/20/65/72/729206572.db2.gz NHZHMNCGTMWOEX-HDJSIYSDSA-N 1 3 337.468 -0.020 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812875 730094980 /nfs/dbraw/zinc/09/49/80/730094980.db2.gz VOHQYNYSCSMPRR-AALSBFMBSA-N 1 3 334.464 -0.101 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812875 730094981 /nfs/dbraw/zinc/09/49/81/730094981.db2.gz VOHQYNYSCSMPRR-AALSBFMBSA-N 1 3 334.464 -0.101 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040882 730117312 /nfs/dbraw/zinc/11/73/12/730117312.db2.gz SVLSFEADLBVPNX-WSGDXGOYSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040882 730117314 /nfs/dbraw/zinc/11/73/14/730117314.db2.gz SVLSFEADLBVPNX-WSGDXGOYSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043240 730117461 /nfs/dbraw/zinc/11/74/61/730117461.db2.gz FPJQYTLBRXKMKI-OCABDXPQSA-N 1 3 347.463 -0.368 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043240 730117463 /nfs/dbraw/zinc/11/74/63/730117463.db2.gz FPJQYTLBRXKMKI-OCABDXPQSA-N 1 3 347.463 -0.368 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026148542 730126139 /nfs/dbraw/zinc/12/61/39/730126139.db2.gz OPAHQEDUMKLHFY-NPCUJANDSA-N 1 3 349.479 -0.069 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001027217892 730199787 /nfs/dbraw/zinc/19/97/87/730199787.db2.gz RHAGZQDNKIEDFM-LSDHHAIUSA-N 1 3 343.493 -0.045 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351619 731707305 /nfs/dbraw/zinc/70/73/05/731707305.db2.gz KWHWAQDPCAGYOR-DYVFJYSZSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351619 731707308 /nfs/dbraw/zinc/70/73/08/731707308.db2.gz KWHWAQDPCAGYOR-DYVFJYSZSA-N 1 3 349.435 -0.626 20 0 EBADHO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001040358262 731711626 /nfs/dbraw/zinc/71/16/26/731711626.db2.gz DYHWFKJVNCHNFN-BBRMVZONSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040449981 731738493 /nfs/dbraw/zinc/73/84/93/731738493.db2.gz NKFPJNOTQCBBJV-PBHICJAKSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040449981 731738498 /nfs/dbraw/zinc/73/84/98/731738498.db2.gz NKFPJNOTQCBBJV-PBHICJAKSA-N 1 3 340.468 -0.641 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040453935 731740972 /nfs/dbraw/zinc/74/09/72/731740972.db2.gz OCLFKLUUWAJPHV-CXAGYDPISA-N 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CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061594974 738634582 /nfs/dbraw/zinc/63/45/82/738634582.db2.gz ALKCKABVDNEGGV-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061594974 738634583 /nfs/dbraw/zinc/63/45/83/738634583.db2.gz ALKCKABVDNEGGV-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001043119345 732769095 /nfs/dbraw/zinc/76/90/95/732769095.db2.gz ZCIGIMUHUDOLML-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001043119345 732769099 /nfs/dbraw/zinc/76/90/99/732769099.db2.gz ZCIGIMUHUDOLML-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001043119343 732769470 /nfs/dbraw/zinc/76/94/70/732769470.db2.gz ZCIGIMUHUDOLML-CYBMUJFWSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001043119343 732769471 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810933507 /nfs/dbraw/zinc/93/35/07/810933507.db2.gz RFUVDQKBZFIJIT-UONOGXRCSA-N 1 3 333.388 -0.166 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001220064225 810967285 /nfs/dbraw/zinc/96/72/85/810967285.db2.gz WKJSUODUGUGFCB-AGIUHOORSA-N 1 3 341.456 -0.926 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001220064225 810967291 /nfs/dbraw/zinc/96/72/91/810967291.db2.gz WKJSUODUGUGFCB-AGIUHOORSA-N 1 3 341.456 -0.926 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC1(C[NH3+])COC1 ZINC001220157088 811003479 /nfs/dbraw/zinc/00/34/79/811003479.db2.gz WNAQGAQMYCIFGY-SRVKXCTJSA-N 1 3 346.497 -0.558 20 0 EBADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220163965 811004933 /nfs/dbraw/zinc/00/49/33/811004933.db2.gz XFTYHDQAZRXXMB-NFAWXSAZSA-N 1 3 341.477 -0.198 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1COC2(CNC2)CN1 ZINC001220429045 811104222 /nfs/dbraw/zinc/10/42/22/811104222.db2.gz KDROOBNZIDHTOS-TWMKSMIVSA-N 1 3 342.443 -0.437 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1COC2(CNC2)CN1 ZINC001220429045 811104226 /nfs/dbraw/zinc/10/42/26/811104226.db2.gz KDROOBNZIDHTOS-TWMKSMIVSA-N 1 3 342.443 -0.437 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CNCc3ccnn3C2)CC[NH2+]C1 ZINC001220521226 811137710 /nfs/dbraw/zinc/13/77/10/811137710.db2.gz AOQSHFWPGYTQGE-LLVKDONJSA-N 1 3 333.392 -0.471 20 0 EBADHO CCOC1CC(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001220768412 811235023 /nfs/dbraw/zinc/23/50/23/811235023.db2.gz KLMSMBJVPMMMBZ-FJBKBRRZSA-N 1 3 343.468 -0.459 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@H]2[NH2+]CCc3cc(OC)ccc32)CNC1 ZINC001220851239 811266627 /nfs/dbraw/zinc/26/66/27/811266627.db2.gz NIDDIZRKXPYDFI-AWEZNQCLSA-N 1 3 333.388 -0.097 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@H]2NCCc3cc(OC)ccc32)C[NH2+]C1 ZINC001220851239 811266633 /nfs/dbraw/zinc/26/66/33/811266633.db2.gz NIDDIZRKXPYDFI-AWEZNQCLSA-N 1 3 333.388 -0.097 20 0 EBADHO O=C(CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC001220898441 811287233 /nfs/dbraw/zinc/28/72/33/811287233.db2.gz JYGVFBMXOHBKRK-HUUCEWRRSA-N 1 3 338.452 -0.698 20 0 EBADHO N[C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936342 811301819 /nfs/dbraw/zinc/30/18/19/811301819.db2.gz FHFCESFTOZZARZ-KBPBESRZSA-N 1 3 327.425 -0.258 20 0 EBADHO N[C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936344 811301841 /nfs/dbraw/zinc/30/18/41/811301841.db2.gz FHFCESFTOZZARZ-KGLIPLIRSA-N 1 3 327.425 -0.258 20 0 EBADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221340059 811444785 /nfs/dbraw/zinc/44/47/85/811444785.db2.gz SPJUOJRTBIFGOU-CKEIUWERSA-N 1 3 332.404 -0.519 20 0 EBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)CC2)NC1 ZINC001221391335 811448892 /nfs/dbraw/zinc/44/88/92/811448892.db2.gz LNTTZVWVCTWFJH-OAHLLOKOSA-N 1 3 331.420 -0.967 20 0 EBADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1cn3c(n1)CNCC3)C2 ZINC001235339846 812482747 /nfs/dbraw/zinc/48/27/47/812482747.db2.gz VXKLOPWFIKPZGT-PXMRGAAZSA-N 1 3 345.447 -0.183 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC(N4CC[NH2+]CC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236129187 812515491 /nfs/dbraw/zinc/51/54/91/812515491.db2.gz PNUKYIVUWWLNPW-FZKCQIBNSA-N 1 3 341.452 -0.407 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@H](N4CC([NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236074503 812516194 /nfs/dbraw/zinc/51/61/94/812516194.db2.gz ZBUWHGWCFLSGGO-RMEBNNNOSA-N 1 3 327.425 -0.669 20 0 EBADHO Cc1ncc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)n1C ZINC001238243371 812525072 /nfs/dbraw/zinc/52/50/72/812525072.db2.gz UIMNSSRDKWMUJW-LBPRGKRZSA-N 1 3 327.454 -0.119 20 0 EBADHO Cc1ncc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)n1C ZINC001238243371 812525075 /nfs/dbraw/zinc/52/50/75/812525075.db2.gz UIMNSSRDKWMUJW-LBPRGKRZSA-N 1 3 327.454 -0.119 20 0 EBADHO CCOC(=O)C1([N-]S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238886761 812534934 /nfs/dbraw/zinc/53/49/34/812534934.db2.gz HECSRJJGEYSZDH-UHFFFAOYSA-N 1 3 333.454 -0.409 20 0 EBADHO COC(=O)[C@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246027675 812559613 /nfs/dbraw/zinc/55/96/13/812559613.db2.gz YFNAUAZEYYZZOX-RRFJBIMHSA-N 1 3 343.374 -0.358 20 0 EBADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C[C@H]1C(=O)OC ZINC001246420223 812573168 /nfs/dbraw/zinc/57/31/68/812573168.db2.gz YEVKWXIGGPXLLU-LOWDOPEQSA-N 1 3 343.424 -0.310 20 0 EBADHO O=C(c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2)N1CC=CC1 ZINC001246704434 812582045 /nfs/dbraw/zinc/58/20/45/812582045.db2.gz GLNZNSATSYAGIN-ZDUSSCGKSA-N 1 3 342.447 -0.193 20 0 EBADHO C(c1noc2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCOCC1 ZINC001246712842 812583669 /nfs/dbraw/zinc/58/36/69/812583669.db2.gz DGROKDGNSVLNJL-AWEZNQCLSA-N 1 3 347.463 -0.041 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)O3 ZINC001247013862 812595712 /nfs/dbraw/zinc/59/57/12/812595712.db2.gz ZTVIOQVMNFLMAT-JEWKUQAESA-N 1 3 327.450 -0.481 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC[C@]12CC[NH2+]C2)O3 ZINC001247012953 812596123 /nfs/dbraw/zinc/59/61/23/812596123.db2.gz VJJFWGFQONCRJJ-QMIVOQANSA-N 1 3 327.450 -0.337 20 0 EBADHO [NH3+]CCN1CCN(Cc2nc(-c3ccc4c(n3)CCNC4)no2)CC1 ZINC001248204496 812604391 /nfs/dbraw/zinc/60/43/91/812604391.db2.gz GZBJBPIMJLIZLN-UHFFFAOYSA-N 1 3 343.435 -0.146 20 0 EBADHO CN1CCN(C2CC[NH+](C3CCN(C[C@H](O)CO)CC3)CC2)CC1 ZINC001252063314 812646055 /nfs/dbraw/zinc/64/60/55/812646055.db2.gz VSQHZMBNZDSUEP-SFHVURJKSA-N 1 3 340.512 -0.484 20 0 EBADHO C[N@H+](CCO)CCCNC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253168689 812674603 /nfs/dbraw/zinc/67/46/03/812674603.db2.gz CFMXZLWCQHGCOY-MRXNPFEDSA-N 1 3 326.437 -0.135 20 0 EBADHO C[N@@H+](CCO)CCCNC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253168689 812674607 /nfs/dbraw/zinc/67/46/07/812674607.db2.gz CFMXZLWCQHGCOY-MRXNPFEDSA-N 1 3 326.437 -0.135 20 0 EBADHO C[N@H+](CCO)CCCNC[C@H](O)COc1ccc(CCO)cc1 ZINC001253168685 812674777 /nfs/dbraw/zinc/67/47/77/812674777.db2.gz CFMXZLWCQHGCOY-INIZCTEOSA-N 1 3 326.437 -0.135 20 0 EBADHO C[N@@H+](CCO)CCCNC[C@H](O)COc1ccc(CCO)cc1 ZINC001253168685 812674782 /nfs/dbraw/zinc/67/47/82/812674782.db2.gz CFMXZLWCQHGCOY-INIZCTEOSA-N 1 3 326.437 -0.135 20 0 EBADHO CC(C)CN1CCC([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC001258012488 812776993 /nfs/dbraw/zinc/77/69/93/812776993.db2.gz XLMOPLGMJORZME-BYHHXJKWSA-N 1 3 346.468 -0.460 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081505314 813092805 /nfs/dbraw/zinc/09/28/05/813092805.db2.gz DOIJZEYECWUQKC-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081505254 813092962 /nfs/dbraw/zinc/09/29/62/813092962.db2.gz CZQZGFIESXBFBY-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001081634316 813334869 /nfs/dbraw/zinc/33/48/69/813334869.db2.gz GAWFSCLQELLFEU-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001081634316 813334874 /nfs/dbraw/zinc/33/48/74/813334874.db2.gz GAWFSCLQELLFEU-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC001265590685 813345520 /nfs/dbraw/zinc/34/55/20/813345520.db2.gz FONLXOWIFBCPGK-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265947552 813423586 /nfs/dbraw/zinc/42/35/86/813423586.db2.gz PFHMFRPRLWCHGJ-ZDUSSCGKSA-N 1 3 339.440 -0.541 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700763 813438549 /nfs/dbraw/zinc/43/85/49/813438549.db2.gz LAYKAGUSJSKNPA-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081736653 813494601 /nfs/dbraw/zinc/49/46/01/813494601.db2.gz YQUCNMFPJOIGDQ-KGLIPLIRSA-N 1 3 328.457 -0.786 20 0 EBADHO CN(CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001081736013 813494633 /nfs/dbraw/zinc/49/46/33/813494633.db2.gz SAUPNUXZWJXEEI-HIFRSBDPSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411619 813561220 /nfs/dbraw/zinc/56/12/20/813561220.db2.gz APYJCRBBFWWSIT-QWHCGFSZSA-N 1 3 336.436 -0.240 20 0 EBADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)CCN1C(=O)CCC1=O ZINC001266413467 813562111 /nfs/dbraw/zinc/56/21/11/813562111.db2.gz OEDGXQOYKIBMLP-UHFFFAOYSA-N 1 3 338.452 -0.085 20 0 EBADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001266724177 813651670 /nfs/dbraw/zinc/65/16/70/813651670.db2.gz HCDNVBRYSHJSCE-ZDUSSCGKSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001266738328 813655852 /nfs/dbraw/zinc/65/58/52/813655852.db2.gz GOGKREGRNWSZKT-UHFFFAOYSA-N 1 3 346.497 -0.540 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001266756865 813663918 /nfs/dbraw/zinc/66/39/18/813663918.db2.gz DDJICSZYSCZKKQ-ZIAGYGMSSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001266756865 813663921 /nfs/dbraw/zinc/66/39/21/813663921.db2.gz DDJICSZYSCZKKQ-ZIAGYGMSSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001266814914 813676834 /nfs/dbraw/zinc/67/68/34/813676834.db2.gz ADZFFNBAYHLMSN-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001266814914 813676838 /nfs/dbraw/zinc/67/68/38/813676838.db2.gz ADZFFNBAYHLMSN-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001266877345 813689443 /nfs/dbraw/zinc/68/94/43/813689443.db2.gz DCCDSEXOUDVKQU-KGLIPLIRSA-N 1 3 348.513 -0.154 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001267001831 813728163 /nfs/dbraw/zinc/72/81/63/813728163.db2.gz BJYDQVHTEXMZOZ-UONOGXRCSA-N 1 3 328.457 -0.737 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474305 813910881 /nfs/dbraw/zinc/91/08/81/813910881.db2.gz PEUZYBNORPGERZ-ZFWWWQNUSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606997 814315805 /nfs/dbraw/zinc/31/58/05/814315805.db2.gz RUKWWHCSZOKZLG-GXMNPTEKSA-N 1 3 340.468 -0.164 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614248 814319206 /nfs/dbraw/zinc/31/92/06/814319206.db2.gz UWAOABXGEQTQLD-RRNNCXACSA-N 1 3 325.413 -0.826 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001268614248 814319216 /nfs/dbraw/zinc/31/92/16/814319216.db2.gz UWAOABXGEQTQLD-RRNNCXACSA-N 1 3 325.413 -0.826 20 0 EBADHO C[C@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268731805 814367050 /nfs/dbraw/zinc/36/70/50/814367050.db2.gz QHZDCVDFGUWHSG-JHJVBQTASA-N 1 3 339.440 -0.685 20 0 EBADHO C[C@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268731805 814367057 /nfs/dbraw/zinc/36/70/57/814367057.db2.gz QHZDCVDFGUWHSG-JHJVBQTASA-N 1 3 339.440 -0.685 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)CC[NH+]1CCCC1)C2 ZINC001269518025 814716791 /nfs/dbraw/zinc/71/67/91/814716791.db2.gz NVTYBKZKICNGAK-UHFFFAOYSA-N 1 3 338.452 -0.526 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001270847439 815913304 /nfs/dbraw/zinc/91/33/04/815913304.db2.gz NBDKAJFEONZYSF-OAHLLOKOSA-N 1 3 348.513 -0.296 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001270921018 815932098 /nfs/dbraw/zinc/93/20/98/815932098.db2.gz DHFZHOIWIFQQSP-OLZOCXBDSA-N 1 3 334.486 -0.544 20 0 EBADHO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)CN1CCCC1 ZINC001271206914 816034492 /nfs/dbraw/zinc/03/44/92/816034492.db2.gz KWVKZFYWVONCSX-GFCCVEGCSA-N 1 3 325.413 -0.930 20 0 EBADHO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)CN1CCCC1 ZINC001271206834 816035053 /nfs/dbraw/zinc/03/50/53/816035053.db2.gz INZCGFYGZPQSJG-CYBMUJFWSA-N 1 3 334.486 -0.590 20 0 EBADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150926 816249836 /nfs/dbraw/zinc/24/98/36/816249836.db2.gz GZANVVRYXUFKOP-QETRGOJESA-N 1 3 336.436 -0.792 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001272168201 816336077 /nfs/dbraw/zinc/33/60/77/816336077.db2.gz HMFJQGPYFBYTPW-TZMCWYRMSA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCC(=O)NC2CC2)CC[N@H+]1C ZINC001272168201 816336082 /nfs/dbraw/zinc/33/60/82/816336082.db2.gz HMFJQGPYFBYTPW-TZMCWYRMSA-N 1 3 326.441 -0.984 20 0 EBADHO C[NH+](C)CCN1C[C@@]2(CCN(CCN3CCOCC3)C2)OCC1=O ZINC001272662009 816501943 /nfs/dbraw/zinc/50/19/43/816501943.db2.gz UMORICFZFPTQPD-KRWDZBQOSA-N 1 3 340.468 -0.817 20 0 EBADHO COC(=O)CCN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273966279 816825244 /nfs/dbraw/zinc/82/52/44/816825244.db2.gz RMVBLIFCTNWLGL-MRXNPFEDSA-N 1 3 327.425 -0.338 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518961 816989792 /nfs/dbraw/zinc/98/97/92/816989792.db2.gz MEISWDGGPWQBTN-FWWRYZNZSA-N 1 3 327.429 -0.710 20 0 EBADHO CNC(=O)CNCC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001274573242 817018528 /nfs/dbraw/zinc/01/85/28/817018528.db2.gz SHTWLDAMOFYJQT-UHFFFAOYSA-N 1 3 328.457 -0.593 20 0 EBADHO O=C(C1=CNN2C=CNC=C12)N1C[C@H]2C[C@@H](C1)N2CC1CC[NH2+]CC1 ZINC001276709538 817458031 /nfs/dbraw/zinc/45/80/31/817458031.db2.gz MINBSQVBZZRFDC-GASCZTMLSA-N 1 3 342.447 -0.109 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537369 817519199 /nfs/dbraw/zinc/51/91/99/817519199.db2.gz KBOKHLYAXXXNOP-DLBZAZTESA-N 1 3 349.479 -0.144 20 0 EBADHO CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cncn4C)CC3)[C@H]2C1 ZINC001277769399 817634112 /nfs/dbraw/zinc/63/41/12/817634112.db2.gz BCIOGSCXMJOQSS-GJZGRUSLSA-N 1 3 346.479 -0.002 20 0 EBADHO CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cncn4C)CC3)[C@H]2C1 ZINC001277769399 817634117 /nfs/dbraw/zinc/63/41/17/817634117.db2.gz BCIOGSCXMJOQSS-GJZGRUSLSA-N 1 3 346.479 -0.002 20 0 EBADHO C[NH+]1CCC(CN2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001277796877 817636307 /nfs/dbraw/zinc/63/63/07/817636307.db2.gz LOXWYQQKJXLGKE-LSDHHAIUSA-N 1 3 336.436 -0.223 20 0 EBADHO C[NH+](C)CCCCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001278684994 817794542 /nfs/dbraw/zinc/79/45/42/817794542.db2.gz PPNJAEKJKYWGDP-LBPRGKRZSA-N 1 3 341.456 -0.260 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001279736763 817978956 /nfs/dbraw/zinc/97/89/56/817978956.db2.gz FQOZLEPXXMTPRE-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001279736763 817978961 /nfs/dbraw/zinc/97/89/61/817978961.db2.gz FQOZLEPXXMTPRE-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO CC(C)NC(=O)CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001279809930 817989110 /nfs/dbraw/zinc/98/91/10/817989110.db2.gz MHNVDJIGCZHIOT-GJZGRUSLSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)NC(=O)CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001279809930 817989114 /nfs/dbraw/zinc/98/91/14/817989114.db2.gz MHNVDJIGCZHIOT-GJZGRUSLSA-N 1 3 342.484 -0.348 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNCC(=O)N2CCCC2)C1 ZINC001279886743 818001520 /nfs/dbraw/zinc/00/15/20/818001520.db2.gz UNXRNAJNQGLDND-OAHLLOKOSA-N 1 3 340.468 -0.639 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNCC(=O)N2CCCC2)C1 ZINC001279886743 818001528 /nfs/dbraw/zinc/00/15/28/818001528.db2.gz UNXRNAJNQGLDND-OAHLLOKOSA-N 1 3 340.468 -0.639 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001283150664 818678039 /nfs/dbraw/zinc/67/80/39/818678039.db2.gz NPCSGFFUVPEMSE-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001283617653 818882530 /nfs/dbraw/zinc/88/25/30/818882530.db2.gz JXBCAAMKXATLPU-OCCSQVGLSA-N 1 3 341.456 -0.439 20 0 EBADHO CC(=O)NCCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001284750937 819347369 /nfs/dbraw/zinc/34/73/69/819347369.db2.gz NEUPFXSMJSYCQB-GPANFISMSA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001100076851 820172916 /nfs/dbraw/zinc/17/29/16/820172916.db2.gz SOPRWCSYBBXHAF-HZPDHXFCSA-N 1 3 343.468 -0.315 20 0 EBADHO CN(CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001100411496 820408308 /nfs/dbraw/zinc/40/83/08/820408308.db2.gz BYVJISFDFAOTFG-UHFFFAOYSA-N 1 3 346.497 -0.496 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1 ZINC001100770990 820547558 /nfs/dbraw/zinc/54/75/58/820547558.db2.gz SZYXMTFYNFZYRN-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100904672 820595934 /nfs/dbraw/zinc/59/59/34/820595934.db2.gz ANESQICCMPVFAE-UHFFFAOYSA-N 1 3 334.486 -0.638 20 0 EBADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H](C)C(=O)NC(N)=O ZINC001316897946 821909536 /nfs/dbraw/zinc/90/95/36/821909536.db2.gz ANNWSOWNAVSLBL-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H](C)C(=O)NC(N)=O ZINC001316897946 821909545 /nfs/dbraw/zinc/90/95/45/821909545.db2.gz ANNWSOWNAVSLBL-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CN(CC(=O)NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016290 821974727 /nfs/dbraw/zinc/97/47/27/821974727.db2.gz LIZZSRPXWIXMSM-KGLIPLIRSA-N 1 3 336.436 -0.240 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001317186011 822030908 /nfs/dbraw/zinc/03/09/08/822030908.db2.gz ZCFMWSWOFMTCLE-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)S(C)(=O)=O ZINC001317313645 822079805 /nfs/dbraw/zinc/07/98/05/822079805.db2.gz RNVLMZGDKPVQHR-KGLIPLIRSA-N 1 3 346.497 -0.590 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC001317532591 822147486 /nfs/dbraw/zinc/14/74/86/822147486.db2.gz MAIZWUVVCGPGPG-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC001317532591 822147490 /nfs/dbraw/zinc/14/74/90/822147490.db2.gz MAIZWUVVCGPGPG-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106245524 822236525 /nfs/dbraw/zinc/23/65/25/822236525.db2.gz CWRGZGGXBULRNS-VXGBXAGGSA-N 1 3 339.440 -0.650 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC ZINC001128527859 828470334 /nfs/dbraw/zinc/47/03/34/828470334.db2.gz DKTSWAYPBGBFCD-NEPJUHHUSA-N 1 3 347.435 -0.394 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)CN(CC)CC ZINC001128527862 828470362 /nfs/dbraw/zinc/47/03/62/828470362.db2.gz DKTSWAYPBGBFCD-VXGBXAGGSA-N 1 3 347.435 -0.394 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128545185 828473078 /nfs/dbraw/zinc/47/30/78/828473078.db2.gz VRJUVEVINDWJTB-GHMZBOCLSA-N 1 3 333.408 -0.784 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC ZINC001128774142 828524999 /nfs/dbraw/zinc/52/49/99/828524999.db2.gz MUUMMVUTDOPYII-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC ZINC001128774142 828525005 /nfs/dbraw/zinc/52/50/05/828525005.db2.gz MUUMMVUTDOPYII-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO O=C(C[NH+]1CCCC1)NCc1cn(C2CN(C[C@H]3CCOC3)C2)nn1 ZINC001107236482 823821879 /nfs/dbraw/zinc/82/18/79/823821879.db2.gz YBZAHFFMLRGYAR-CQSZACIVSA-N 1 3 348.451 -0.117 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC1 ZINC001129363584 828604629 /nfs/dbraw/zinc/60/46/29/828604629.db2.gz KACDEBFODYZCIJ-OAHLLOKOSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)N1CCC1 ZINC001129363584 828604632 /nfs/dbraw/zinc/60/46/32/828604632.db2.gz KACDEBFODYZCIJ-OAHLLOKOSA-N 1 3 338.452 -0.432 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CCC1 ZINC001129363895 828605840 /nfs/dbraw/zinc/60/58/40/828605840.db2.gz MBHLIVUNBUEMGR-CQSZACIVSA-N 1 3 343.468 -0.267 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364312 828606198 /nfs/dbraw/zinc/60/61/98/828606198.db2.gz RWAGRYSHKHQBDT-ZFWWWQNUSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364312 828606200 /nfs/dbraw/zinc/60/62/00/828606200.db2.gz RWAGRYSHKHQBDT-ZFWWWQNUSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421687 828615467 /nfs/dbraw/zinc/61/54/67/828615467.db2.gz BQSBYVAILMJSPN-CHWSQXEVSA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421687 828615471 /nfs/dbraw/zinc/61/54/71/828615471.db2.gz BQSBYVAILMJSPN-CHWSQXEVSA-N 1 3 341.456 -0.201 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435136 828618117 /nfs/dbraw/zinc/61/81/17/828618117.db2.gz BTVLOJUJVVWLLY-CYBMUJFWSA-N 1 3 327.429 -0.732 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442473 828620410 /nfs/dbraw/zinc/62/04/10/828620410.db2.gz AMSXRKQBTJWNKT-SWLSCSKDSA-N 1 3 326.441 -0.720 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129535358 828632019 /nfs/dbraw/zinc/63/20/19/828632019.db2.gz OGNWBDWICSHOOP-UKRRQHHQSA-N 1 3 340.468 -0.140 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129534872 828632194 /nfs/dbraw/zinc/63/21/94/828632194.db2.gz BHVGZGAQWNFOMC-CYBMUJFWSA-N 1 3 328.457 -0.282 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001129532312 828630794 /nfs/dbraw/zinc/63/07/94/828630794.db2.gz YMRHEUFDOYFMLL-AWEZNQCLSA-N 1 3 326.441 -0.840 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001129856570 828682059 /nfs/dbraw/zinc/68/20/59/828682059.db2.gz UMCMTDQDLWSQRX-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001129856570 828682061 /nfs/dbraw/zinc/68/20/61/828682061.db2.gz UMCMTDQDLWSQRX-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001129841942 828680458 /nfs/dbraw/zinc/68/04/58/828680458.db2.gz RERPXECAIQQZPU-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001129841942 828680465 /nfs/dbraw/zinc/68/04/65/828680465.db2.gz RERPXECAIQQZPU-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892195 828689391 /nfs/dbraw/zinc/68/93/91/828689391.db2.gz LULZINKXDPIVLN-ILXRZTDVSA-N 1 3 336.440 -0.394 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)N(C)C ZINC001130200827 828754377 /nfs/dbraw/zinc/75/43/77/828754377.db2.gz OGSFFZKWOOIAOU-QWHCGFSZSA-N 1 3 343.472 -0.097 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189007 828751615 /nfs/dbraw/zinc/75/16/15/828751615.db2.gz LOSSEPZMBBTBAH-ZIAGYGMSSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189007 828751619 /nfs/dbraw/zinc/75/16/19/828751619.db2.gz LOSSEPZMBBTBAH-ZIAGYGMSSA-N 1 3 346.497 -0.352 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001130425011 828830611 /nfs/dbraw/zinc/83/06/11/828830611.db2.gz KAZGKVRBSFATEL-ZIAGYGMSSA-N 1 3 333.473 -0.165 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(=O)NCC(C)C ZINC001130427143 828832417 /nfs/dbraw/zinc/83/24/17/828832417.db2.gz JYKJVAAKQPENIC-UHFFFAOYSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(=O)NCC(C)C ZINC001130427143 828832421 /nfs/dbraw/zinc/83/24/21/828832421.db2.gz JYKJVAAKQPENIC-UHFFFAOYSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001179609082 832993014 /nfs/dbraw/zinc/99/30/14/832993014.db2.gz FUZZEQRERMQEHO-LBPRGKRZSA-N 1 3 329.445 -0.212 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179766042 833009420 /nfs/dbraw/zinc/00/94/20/833009420.db2.gz MEIQQAHHDLLGQA-STQMWFEESA-N 1 3 339.440 -0.541 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124235 833045453 /nfs/dbraw/zinc/04/54/53/833045453.db2.gz GKZBUQKVGWQFEQ-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124235 833045456 /nfs/dbraw/zinc/04/54/56/833045456.db2.gz GKZBUQKVGWQFEQ-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118488060 826939887 /nfs/dbraw/zinc/93/98/87/826939887.db2.gz YXOWMAOCZRIVDK-OCCSQVGLSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118553595 826958732 /nfs/dbraw/zinc/95/87/32/826958732.db2.gz VHBKEBQNQBBVML-CQSZACIVSA-N 1 3 340.468 -0.201 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001122033650 827507619 /nfs/dbraw/zinc/50/76/19/827507619.db2.gz ZQADTDQOKQMNGG-QGZVFWFLSA-N 1 3 341.452 -0.118 20 0 EBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001183268304 833285134 /nfs/dbraw/zinc/28/51/34/833285134.db2.gz SUWBLQSNKLVOIN-OLZOCXBDSA-N 1 3 332.470 -0.934 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C1CCC1 ZINC001183289078 833285940 /nfs/dbraw/zinc/28/59/40/833285940.db2.gz SCKZEUCNVIROKL-ZBFHGGJFSA-N 1 3 335.452 -0.081 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437526 833290379 /nfs/dbraw/zinc/29/03/79/833290379.db2.gz XCFUZCHBGIZAAS-ZBFHGGJFSA-N 1 3 342.484 -0.084 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127060785 828247130 /nfs/dbraw/zinc/24/71/30/828247130.db2.gz HKAWVNVFHFVSKQ-CHWSQXEVSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127060785 828247135 /nfs/dbraw/zinc/24/71/35/828247135.db2.gz HKAWVNVFHFVSKQ-CHWSQXEVSA-N 1 3 341.456 -0.201 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001127065580 828247196 /nfs/dbraw/zinc/24/71/96/828247196.db2.gz BPUOITKIHPQMGJ-AWEZNQCLSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001127065580 828247199 /nfs/dbraw/zinc/24/71/99/828247199.db2.gz BPUOITKIHPQMGJ-AWEZNQCLSA-N 1 3 346.497 -0.400 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127060789 828247399 /nfs/dbraw/zinc/24/73/99/828247399.db2.gz HKAWVNVFHFVSKQ-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127060789 828247405 /nfs/dbraw/zinc/24/74/05/828247405.db2.gz HKAWVNVFHFVSKQ-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256108 828269419 /nfs/dbraw/zinc/26/94/19/828269419.db2.gz MJRLMJQLUFDTNP-KGLIPLIRSA-N 1 3 346.497 -0.494 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256108 828269425 /nfs/dbraw/zinc/26/94/25/828269425.db2.gz MJRLMJQLUFDTNP-KGLIPLIRSA-N 1 3 346.497 -0.494 20 0 EBADHO CN(CCNCCNC(=O)C(C)(C)[NH+]1CCCCC1)S(C)(=O)=O ZINC001127322766 828278722 /nfs/dbraw/zinc/27/87/22/828278722.db2.gz VKBJAPQJVMPLKX-UHFFFAOYSA-N 1 3 348.513 -0.152 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@H]1CCCO1 ZINC001127474500 828297298 /nfs/dbraw/zinc/29/72/98/828297298.db2.gz MTTAOMKPEPWTFD-HUUCEWRRSA-N 1 3 338.452 -0.671 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001127643876 828309692 /nfs/dbraw/zinc/30/96/92/828309692.db2.gz PJVQHARFWDNCFG-MGPQQGTHSA-N 1 3 326.441 -0.815 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC[N@H+]1C ZINC001127643876 828309701 /nfs/dbraw/zinc/30/97/01/828309701.db2.gz PJVQHARFWDNCFG-MGPQQGTHSA-N 1 3 326.441 -0.815 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784981 828330753 /nfs/dbraw/zinc/33/07/53/828330753.db2.gz CUGRVABMXPLJKC-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784981 828330761 /nfs/dbraw/zinc/33/07/61/828330761.db2.gz CUGRVABMXPLJKC-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(CCC(=O)NCCNCCNS(C)(=O)=O)c1cc[nH+]cc1 ZINC001130558686 828884245 /nfs/dbraw/zinc/88/42/45/828884245.db2.gz KJJDNKIXTBBJTJ-UHFFFAOYSA-N 1 3 343.453 -0.837 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130708854 828919791 /nfs/dbraw/zinc/91/97/91/828919791.db2.gz KLDQUXDSUNKFNQ-VXGBXAGGSA-N 1 3 327.429 -0.604 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130708854 828919795 /nfs/dbraw/zinc/91/97/95/828919795.db2.gz KLDQUXDSUNKFNQ-VXGBXAGGSA-N 1 3 327.429 -0.604 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551413 833333397 /nfs/dbraw/zinc/33/33/97/833333397.db2.gz NVPNZWWILFOIQJ-TZMCWYRMSA-N 1 3 337.424 -0.754 20 0 EBADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CCCO ZINC001130943609 828999495 /nfs/dbraw/zinc/99/94/95/828999495.db2.gz FGRRHMLSDWGQJW-KFWWJZLASA-N 1 3 335.452 -0.219 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001185168276 833348446 /nfs/dbraw/zinc/34/84/46/833348446.db2.gz VIHHVIRERVOMFH-QNWHQSFQSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001185168276 833348448 /nfs/dbraw/zinc/34/84/48/833348448.db2.gz VIHHVIRERVOMFH-QNWHQSFQSA-N 1 3 339.440 -0.509 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185214155 833350280 /nfs/dbraw/zinc/35/02/80/833350280.db2.gz OMYOJBQYJQMYGA-CYBMUJFWSA-N 1 3 346.497 -0.542 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229318 833350504 /nfs/dbraw/zinc/35/05/04/833350504.db2.gz AKKBJXWBJAATOF-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001185266801 833353568 /nfs/dbraw/zinc/35/35/68/833353568.db2.gz GQOJWBGMCFUAIE-KKUMJFAQSA-N 1 3 339.484 -0.663 20 0 EBADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185266801 833353569 /nfs/dbraw/zinc/35/35/69/833353569.db2.gz GQOJWBGMCFUAIE-KKUMJFAQSA-N 1 3 339.484 -0.663 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185550563 833361182 /nfs/dbraw/zinc/36/11/82/833361182.db2.gz UUGZGRJNNZSDOW-OLZOCXBDSA-N 1 3 341.456 -0.403 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1)N(C)C ZINC001185705520 833367541 /nfs/dbraw/zinc/36/75/41/833367541.db2.gz FAOIOZBWFGKQBA-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001185716058 833367958 /nfs/dbraw/zinc/36/79/58/833367958.db2.gz OTIMYZJTUBGBTP-TUAOUCFPSA-N 1 3 327.429 -0.639 20 0 EBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525646 829154590 /nfs/dbraw/zinc/15/45/90/829154590.db2.gz DGLCQHIWKHAUDJ-SMOJQAGNSA-N 1 3 338.452 -0.530 20 0 EBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525646 829154593 /nfs/dbraw/zinc/15/45/93/829154593.db2.gz DGLCQHIWKHAUDJ-SMOJQAGNSA-N 1 3 338.452 -0.530 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521810 829154882 /nfs/dbraw/zinc/15/48/82/829154882.db2.gz IDZGDEDEXSFNJX-XOYHFGRZSA-N 1 3 338.452 -0.672 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521810 829154886 /nfs/dbraw/zinc/15/48/86/829154886.db2.gz IDZGDEDEXSFNJX-XOYHFGRZSA-N 1 3 338.452 -0.672 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001131555663 829158799 /nfs/dbraw/zinc/15/87/99/829158799.db2.gz QTGJWSHHCFSOTE-PBHICJAKSA-N 1 3 340.468 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131597057 829162369 /nfs/dbraw/zinc/16/23/69/829162369.db2.gz JEAHXFVXNVZHQI-PBHICJAKSA-N 1 3 340.468 -0.201 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790232 829217761 /nfs/dbraw/zinc/21/77/61/829217761.db2.gz JCYJQVREIDOHDX-CQSZACIVSA-N 1 3 339.440 -0.588 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790518 829217889 /nfs/dbraw/zinc/21/78/89/829217889.db2.gz OTSOSGUHOBAJSO-MRXNPFEDSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@H](NCCNC(=O)c1ccccc1CC[NH+](C)C)C(=O)NC(N)=O ZINC001131802122 829223821 /nfs/dbraw/zinc/22/38/21/829223821.db2.gz VBLGVYRBPAGAPD-LBPRGKRZSA-N 1 3 349.435 -0.307 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001186459390 833402589 /nfs/dbraw/zinc/40/25/89/833402589.db2.gz VGHNPXAZKKBTQY-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001186488264 833403475 /nfs/dbraw/zinc/40/34/75/833403475.db2.gz PDKTUBAGEHPOKA-CYBMUJFWSA-N 1 3 334.486 -0.590 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001186488748 833403577 /nfs/dbraw/zinc/40/35/77/833403577.db2.gz UYLBOYGHWQGHRL-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186622818 833409975 /nfs/dbraw/zinc/40/99/75/833409975.db2.gz RWYSAKRCLXXTCT-CHWSQXEVSA-N 1 3 326.441 -0.578 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001132742743 829513353 /nfs/dbraw/zinc/51/33/53/829513353.db2.gz FUIJEGMJMXKZKN-RYUDHWBXSA-N 1 3 327.429 -0.602 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001132742743 829513358 /nfs/dbraw/zinc/51/33/58/829513358.db2.gz FUIJEGMJMXKZKN-RYUDHWBXSA-N 1 3 327.429 -0.602 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001132853127 829537861 /nfs/dbraw/zinc/53/78/61/829537861.db2.gz XASHTKSKJCEDMU-LBPRGKRZSA-N 1 3 339.396 -0.572 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886964 829544979 /nfs/dbraw/zinc/54/49/79/829544979.db2.gz XWATZDMKPKXCRZ-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886964 829544983 /nfs/dbraw/zinc/54/49/83/829544983.db2.gz XWATZDMKPKXCRZ-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001133040500 829577966 /nfs/dbraw/zinc/57/79/66/829577966.db2.gz UBIKPCGJUQATMJ-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001133051842 829578598 /nfs/dbraw/zinc/57/85/98/829578598.db2.gz RJGOBZLGTBMTKG-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285734 829615089 /nfs/dbraw/zinc/61/50/89/829615089.db2.gz GOABBTSRESTVFL-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001186817614 833430708 /nfs/dbraw/zinc/43/07/08/833430708.db2.gz ZWIHRYNJHVEKAY-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001186817614 833430712 /nfs/dbraw/zinc/43/07/12/833430712.db2.gz ZWIHRYNJHVEKAY-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001133819764 829679284 /nfs/dbraw/zinc/67/92/84/829679284.db2.gz NTNPKIDVHWJXFC-KBPBESRZSA-N 1 3 326.441 -0.840 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001133819975 829679696 /nfs/dbraw/zinc/67/96/96/829679696.db2.gz UIBUZOZJIIGUCO-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001133819975 829679701 /nfs/dbraw/zinc/67/97/01/829679701.db2.gz UIBUZOZJIIGUCO-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845924 829685387 /nfs/dbraw/zinc/68/53/87/829685387.db2.gz QCODZWWFWRYILD-CYBMUJFWSA-N 1 3 341.456 -0.484 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845924 829685388 /nfs/dbraw/zinc/68/53/88/829685388.db2.gz QCODZWWFWRYILD-CYBMUJFWSA-N 1 3 341.456 -0.484 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133865466 829689154 /nfs/dbraw/zinc/68/91/54/829689154.db2.gz DILUOIFUVYDCBC-CHWSQXEVSA-N 1 3 341.456 -0.484 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133865466 829689157 /nfs/dbraw/zinc/68/91/57/829689157.db2.gz DILUOIFUVYDCBC-CHWSQXEVSA-N 1 3 341.456 -0.484 20 0 EBADHO C[C@@H](NCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001134021106 829713629 /nfs/dbraw/zinc/71/36/29/829713629.db2.gz RHQHKHRLNDHNRP-UONOGXRCSA-N 1 3 340.468 -0.140 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134582976 829796924 /nfs/dbraw/zinc/79/69/24/829796924.db2.gz CMDUXYDTHXEZRG-NEPJUHHUSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CN(C)C1CCC1 ZINC001134606947 829802476 /nfs/dbraw/zinc/80/24/76/829802476.db2.gz BPCZJNLJXTVUKE-QWHCGFSZSA-N 1 3 348.513 -0.107 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611729 829804252 /nfs/dbraw/zinc/80/42/52/829804252.db2.gz AWTQRIYPBAHNHB-VXGBXAGGSA-N 1 3 341.456 -0.201 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134767226 829840994 /nfs/dbraw/zinc/84/09/94/829840994.db2.gz TTZOHPRQENOKHR-AWEZNQCLSA-N 1 3 348.513 -0.106 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134767226 829840999 /nfs/dbraw/zinc/84/09/99/829840999.db2.gz TTZOHPRQENOKHR-AWEZNQCLSA-N 1 3 348.513 -0.106 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001134780810 829844748 /nfs/dbraw/zinc/84/47/48/829844748.db2.gz XHABYXVYEZAJOZ-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103227 829898309 /nfs/dbraw/zinc/89/83/09/829898309.db2.gz YBDUEGXDDHHFEU-QWHCGFSZSA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103227 829898313 /nfs/dbraw/zinc/89/83/13/829898313.db2.gz YBDUEGXDDHHFEU-QWHCGFSZSA-N 1 3 332.470 -0.742 20 0 EBADHO C[C@H](NCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001135336520 829947687 /nfs/dbraw/zinc/94/76/87/829947687.db2.gz ALOVOBWPOGQEEO-NSHDSACASA-N 1 3 335.408 -0.349 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001135513614 829979634 /nfs/dbraw/zinc/97/96/34/829979634.db2.gz SBGDMBLWBASCIN-CQSZACIVSA-N 1 3 331.457 -0.410 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706434 830014094 /nfs/dbraw/zinc/01/40/94/830014094.db2.gz UTINZUVXAGHJLU-STQMWFEESA-N 1 3 336.502 -0.250 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001146375998 830194970 /nfs/dbraw/zinc/19/49/70/830194970.db2.gz DHALRWFNMNQOSV-NSHDSACASA-N 1 3 327.429 -0.604 20 0 EBADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001147359310 830327388 /nfs/dbraw/zinc/32/73/88/830327388.db2.gz NYECSLVIXBAPBX-CQSZACIVSA-N 1 3 348.513 -0.104 20 0 EBADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001147359310 830327389 /nfs/dbraw/zinc/32/73/89/830327389.db2.gz NYECSLVIXBAPBX-CQSZACIVSA-N 1 3 348.513 -0.104 20 0 EBADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001147834445 830417666 /nfs/dbraw/zinc/41/76/66/830417666.db2.gz JFFWFRDGHZRFBM-QWHCGFSZSA-N 1 3 334.486 -0.638 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877580 830425257 /nfs/dbraw/zinc/42/52/57/830425257.db2.gz MFMRUTDBRTXJIG-NEPJUHHUSA-N 1 3 327.429 -0.732 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877580 830425259 /nfs/dbraw/zinc/42/52/59/830425259.db2.gz MFMRUTDBRTXJIG-NEPJUHHUSA-N 1 3 327.429 -0.732 20 0 EBADHO C[C@H](NC(=O)CNCCNC(=O)COCC[NH+](C)C)c1ccco1 ZINC001147892998 830427255 /nfs/dbraw/zinc/42/72/55/830427255.db2.gz NFAKMSCQMFNHTJ-ZDUSSCGKSA-N 1 3 340.424 -0.259 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147891986 830427291 /nfs/dbraw/zinc/42/72/91/830427291.db2.gz GDZPKCZOVOMXKS-CYBMUJFWSA-N 1 3 341.456 -0.484 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147891986 830427294 /nfs/dbraw/zinc/42/72/94/830427294.db2.gz GDZPKCZOVOMXKS-CYBMUJFWSA-N 1 3 341.456 -0.484 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900196 830428700 /nfs/dbraw/zinc/42/87/00/830428700.db2.gz JNASFKIDUSTFND-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900196 830428701 /nfs/dbraw/zinc/42/87/01/830428701.db2.gz JNASFKIDUSTFND-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971302 830433402 /nfs/dbraw/zinc/43/34/02/830433402.db2.gz ZUOZPUPWSKETBR-NSHDSACASA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001148365080 830475655 /nfs/dbraw/zinc/47/56/55/830475655.db2.gz GEQILWGZDUXULD-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001148570963 830510404 /nfs/dbraw/zinc/51/04/04/830510404.db2.gz PEALUEXUODSWJI-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001148570963 830510414 /nfs/dbraw/zinc/51/04/14/830510414.db2.gz PEALUEXUODSWJI-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001148651637 830523484 /nfs/dbraw/zinc/52/34/84/830523484.db2.gz LQSPTZQTWOZKHC-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001148651637 830523486 /nfs/dbraw/zinc/52/34/86/830523486.db2.gz LQSPTZQTWOZKHC-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001150620606 830945857 /nfs/dbraw/zinc/94/58/57/830945857.db2.gz UJEWPEBISUUMQV-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCCO1 ZINC001150620606 830945859 /nfs/dbraw/zinc/94/58/59/830945859.db2.gz UJEWPEBISUUMQV-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)C1 ZINC001151049433 831016023 /nfs/dbraw/zinc/01/60/23/831016023.db2.gz OPIJMAPFUFQKKF-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)C1 ZINC001151049433 831016032 /nfs/dbraw/zinc/01/60/32/831016032.db2.gz OPIJMAPFUFQKKF-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073847 831022583 /nfs/dbraw/zinc/02/25/83/831022583.db2.gz QWKHVSTVMNCNQC-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073847 831022592 /nfs/dbraw/zinc/02/25/92/831022592.db2.gz QWKHVSTVMNCNQC-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152147403 831134151 /nfs/dbraw/zinc/13/41/51/831134151.db2.gz NAGOINNJACSEBD-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001152136376 831134454 /nfs/dbraw/zinc/13/44/54/831134454.db2.gz BLSSKIXOSYLACS-OKILXGFUSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001152136376 831134459 /nfs/dbraw/zinc/13/44/59/831134459.db2.gz BLSSKIXOSYLACS-OKILXGFUSA-N 1 3 340.468 -0.140 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315079 831222674 /nfs/dbraw/zinc/22/26/74/831222674.db2.gz WUFHYGYKWMQKDV-UHFFFAOYSA-N 1 3 327.429 -0.586 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890640 831512869 /nfs/dbraw/zinc/51/28/69/831512869.db2.gz QYIYVEYPOBXQMP-OLZOCXBDSA-N 1 3 339.440 -0.684 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890640 831512879 /nfs/dbraw/zinc/51/28/79/831512879.db2.gz QYIYVEYPOBXQMP-OLZOCXBDSA-N 1 3 339.440 -0.684 20 0 EBADHO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCC2(CNC2)O1)C(=O)N1CCCC1 ZINC001157370417 831561152 /nfs/dbraw/zinc/56/11/52/831561152.db2.gz AOXJSOFEGXWDGX-KBPBESRZSA-N 1 3 338.452 -0.256 20 0 EBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)Cc2cncn2C)CC1 ZINC001157449372 831567480 /nfs/dbraw/zinc/56/74/80/831567480.db2.gz ZWSQBBLXYUXNOV-ZDUSSCGKSA-N 1 3 337.424 -0.437 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071134 831624887 /nfs/dbraw/zinc/62/48/87/831624887.db2.gz WHKZLAQIVYJFIH-ZDUSSCGKSA-N 1 3 326.441 -0.543 20 0 EBADHO N[C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CCC(O)CC1 ZINC001158277397 831642889 /nfs/dbraw/zinc/64/28/89/831642889.db2.gz NUSAJRVNHZFIRR-PIMMBPRGSA-N 1 3 348.451 -0.423 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158414816 831652765 /nfs/dbraw/zinc/65/27/65/831652765.db2.gz IITSDXDCSZXTBB-OBJOEFQTSA-N 1 3 332.408 -0.723 20 0 EBADHO O=C([C@@H]1CNCc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534834 831663919 /nfs/dbraw/zinc/66/39/19/831663919.db2.gz UPUJKCJKEGSTOH-GKLJAUDBSA-N 1 3 331.420 -0.418 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579250 831667889 /nfs/dbraw/zinc/66/78/89/831667889.db2.gz QPIOIFMHYKAAMI-LOWDOPEQSA-N 1 3 326.416 -0.140 20 0 EBADHO CNC(=O)CN1CCCC12CCN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC001158890898 831693503 /nfs/dbraw/zinc/69/35/03/831693503.db2.gz PYAFIBCGCVIFFQ-UHFFFAOYSA-N 1 3 337.468 -0.905 20 0 EBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001158891336 831694692 /nfs/dbraw/zinc/69/46/92/831694692.db2.gz XHZUKPSIRIDFAO-SOUVJXGZSA-N 1 3 349.479 -0.861 20 0 EBADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001159132607 831711509 /nfs/dbraw/zinc/71/15/09/831711509.db2.gz BPKIABKESYITSP-TZMCWYRMSA-N 1 3 331.424 -0.304 20 0 EBADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C3)n1 ZINC001159471922 831754865 /nfs/dbraw/zinc/75/48/65/831754865.db2.gz LTTQKJHIOIEYJR-DVOMOZLQSA-N 1 3 335.408 -0.569 20 0 EBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664417 831770019 /nfs/dbraw/zinc/77/00/19/831770019.db2.gz DPAFOXIHNXYLMZ-QAETUUGQSA-N 1 3 345.447 -0.570 20 0 EBADHO O=C([C@@H]1C[NH2+]CCN1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666004 831770206 /nfs/dbraw/zinc/77/02/06/831770206.db2.gz NPOKSLZBMVIOIY-ZACQAIPSSA-N 1 3 345.447 -0.555 20 0 EBADHO [NH3+]CCNCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666013 831770276 /nfs/dbraw/zinc/77/02/76/831770276.db2.gz NSSBHOOSALJPKJ-JKSUJKDBSA-N 1 3 333.436 -0.568 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159862158 831788863 /nfs/dbraw/zinc/78/88/63/831788863.db2.gz XSOXZJLGAANLDP-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854719 831788917 /nfs/dbraw/zinc/78/89/17/831788917.db2.gz RNKZDKHYAPJIGS-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159916736 831797328 /nfs/dbraw/zinc/79/73/28/831797328.db2.gz RONIGXUCGQXRNS-OAHLLOKOSA-N 1 3 328.457 -0.425 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159992540 831803615 /nfs/dbraw/zinc/80/36/15/831803615.db2.gz MFCQRBHOVVXOIF-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160111307 831815736 /nfs/dbraw/zinc/81/57/36/831815736.db2.gz VTGUFXFERFWQIG-FPMFFAJLSA-N 1 3 346.456 -0.022 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421846 831847523 /nfs/dbraw/zinc/84/75/23/831847523.db2.gz VGKCCMQLMXMBMK-OLZOCXBDSA-N 1 3 343.472 -0.097 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001160426413 831848451 /nfs/dbraw/zinc/84/84/51/831848451.db2.gz FLFGXMALJKEUHU-AWEZNQCLSA-N 1 3 341.456 -0.390 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160425946 831848765 /nfs/dbraw/zinc/84/87/65/831848765.db2.gz ARLYTVSHPCFWNV-RYUDHWBXSA-N 1 3 329.445 -0.487 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160432185 831850024 /nfs/dbraw/zinc/85/00/24/831850024.db2.gz NWKOWZICEDKZBP-ZDUSSCGKSA-N 1 3 334.486 -0.414 20 0 EBADHO N[C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001160485108 831855982 /nfs/dbraw/zinc/85/59/82/831855982.db2.gz QUBDSXAGEAMLOZ-MRXNPFEDSA-N 1 3 337.468 -0.920 20 0 EBADHO N[C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001160485107 831856375 /nfs/dbraw/zinc/85/63/75/831856375.db2.gz QUBDSXAGEAMLOZ-INIZCTEOSA-N 1 3 337.468 -0.920 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160542064 831861652 /nfs/dbraw/zinc/86/16/52/831861652.db2.gz NCEBTRBPEBIHIH-WDMOLILDSA-N 1 3 334.424 -0.083 20 0 EBADHO O=C([C@H]1CNCCN1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589377 831867438 /nfs/dbraw/zinc/86/74/38/831867438.db2.gz QFWIEJHTAOOLMK-CYBMUJFWSA-N 1 3 329.404 -0.596 20 0 EBADHO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160597248 831869040 /nfs/dbraw/zinc/86/90/40/831869040.db2.gz RCXADDJDHZYXDE-STQMWFEESA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160597248 831869045 /nfs/dbraw/zinc/86/90/45/831869045.db2.gz RCXADDJDHZYXDE-STQMWFEESA-N 1 3 325.409 -0.349 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066886 831919611 /nfs/dbraw/zinc/91/96/11/831919611.db2.gz DAWLWXBTIKUXGO-NEPJUHHUSA-N 1 3 341.437 -0.973 20 0 EBADHO O=C(N1CCN(c2ncc(O)cn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161083243 831921051 /nfs/dbraw/zinc/92/10/51/831921051.db2.gz VLACVKRPBWSSCN-MLGOLLRUSA-N 1 3 332.408 -0.970 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)COC1(C)C ZINC001161083832 831921336 /nfs/dbraw/zinc/92/13/36/831921336.db2.gz UOOLFLLVHXRBPU-DGAVXFQQSA-N 1 3 338.452 -0.150 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)COC1(C)C ZINC001161083832 831921337 /nfs/dbraw/zinc/92/13/37/831921337.db2.gz UOOLFLLVHXRBPU-DGAVXFQQSA-N 1 3 338.452 -0.150 20 0 EBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1Cc2ccnn2CC[C@H]1CO ZINC001161172916 831934524 /nfs/dbraw/zinc/93/45/24/831934524.db2.gz VOIRNYKBPWXNRS-LSDHHAIUSA-N 1 3 333.436 -0.150 20 0 EBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1Cc2ccnn2CC[C@H]1CO ZINC001161172916 831934526 /nfs/dbraw/zinc/93/45/26/831934526.db2.gz VOIRNYKBPWXNRS-LSDHHAIUSA-N 1 3 333.436 -0.150 20 0 EBADHO CN(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219583 831937183 /nfs/dbraw/zinc/93/71/83/831937183.db2.gz RKBHIDNCKUODPL-KNCOVGOOSA-N 1 3 345.447 -0.015 20 0 EBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)nc1 ZINC001161299557 831946014 /nfs/dbraw/zinc/94/60/14/831946014.db2.gz XFDKBVUVAIFEOB-TZMCWYRMSA-N 1 3 335.408 -0.208 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)ccn1 ZINC001161306571 831946365 /nfs/dbraw/zinc/94/63/65/831946365.db2.gz QSQHDFKCPWHBIP-AWEZNQCLSA-N 1 3 331.420 -0.452 20 0 EBADHO [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CNCc4ccnn4C3)C2)CC1 ZINC001161373307 831951493 /nfs/dbraw/zinc/95/14/93/831951493.db2.gz NYSNRGRJIAJBKT-CJNGLKHVSA-N 1 3 332.452 -0.374 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378000 831951574 /nfs/dbraw/zinc/95/15/74/831951574.db2.gz KHWHBXVGRMYYDT-QEJZJMRPSA-N 1 3 337.468 -0.651 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)C1=O ZINC001161377965 831951941 /nfs/dbraw/zinc/95/19/41/831951941.db2.gz JRKTVGKRRQAWMG-CABCVRRESA-N 1 3 337.468 -0.650 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cc1cncn1C)CC2 ZINC001161476278 831962722 /nfs/dbraw/zinc/96/27/22/831962722.db2.gz CJITWBNNRQQUGP-HEHGZKQESA-N 1 3 335.408 -0.957 20 0 EBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872317 832068433 /nfs/dbraw/zinc/06/84/33/832068433.db2.gz NWLYPFOKXDONLA-UUCFBXCCSA-N 1 3 333.436 -0.121 20 0 EBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872317 832068436 /nfs/dbraw/zinc/06/84/36/832068436.db2.gz NWLYPFOKXDONLA-UUCFBXCCSA-N 1 3 333.436 -0.121 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]1(C)CO ZINC001350199476 832130273 /nfs/dbraw/zinc/13/02/73/832130273.db2.gz FPVPDTUALXGDNL-PBHICJAKSA-N 1 3 342.484 -0.585 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004733 832245983 /nfs/dbraw/zinc/24/59/83/832245983.db2.gz VGKCCMQLMXMBMK-QWHCGFSZSA-N 1 3 343.472 -0.097 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001166010115 832246181 /nfs/dbraw/zinc/24/61/81/832246181.db2.gz HUYNHEJBTZZHPL-OAHLLOKOSA-N 1 3 326.441 -0.183 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001166667902 832278148 /nfs/dbraw/zinc/27/81/48/832278148.db2.gz KWFHQLOHCLDLEH-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001166676771 832279004 /nfs/dbraw/zinc/27/90/04/832279004.db2.gz CEVOYKHVHUHVFK-HUUCEWRRSA-N 1 3 340.468 -0.423 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001166744203 832286622 /nfs/dbraw/zinc/28/66/22/832286622.db2.gz LVCJYCOUGFRZAC-UHFFFAOYSA-N 1 3 341.456 -0.388 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)N(C)C ZINC001166852751 832293795 /nfs/dbraw/zinc/29/37/95/832293795.db2.gz WBNVDSSRMQVQIH-ZDUSSCGKSA-N 1 3 336.502 -0.296 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001166851840 832293999 /nfs/dbraw/zinc/29/39/99/832293999.db2.gz IFFUHIYUJLHWBV-AAEUAGOBSA-N 1 3 341.456 -0.201 20 0 EBADHO CS(=O)(=O)c1nc2c(c(N3C[C@@H](N)[C@@H](F)C3)n1)CC[NH2+]CC2 ZINC001166927620 832299114 /nfs/dbraw/zinc/29/91/14/832299114.db2.gz FWIIBQVTZKOUPM-VHSXEESVSA-N 1 3 329.401 -0.946 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC001352730753 832361900 /nfs/dbraw/zinc/36/19/00/832361900.db2.gz RGAVBDWGTNASIQ-MCIONIFRSA-N 1 3 328.457 -0.380 20 0 EBADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001167835995 832377793 /nfs/dbraw/zinc/37/77/93/832377793.db2.gz NDTPWHRKQXUWHY-GFCCVEGCSA-N 1 3 341.456 -0.212 20 0 EBADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001168595172 832428063 /nfs/dbraw/zinc/42/80/63/832428063.db2.gz GJDYYFCDTBKNBB-UHFFFAOYSA-N 1 3 329.445 -0.211 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583913 832433887 /nfs/dbraw/zinc/43/38/87/832433887.db2.gz VDDBNXAMUZDGMQ-HUUCEWRRSA-N 1 3 339.484 -0.674 20 0 EBADHO CN1CCC(NC(=O)c2ccc(-n3cc(CC[NH3+])cn3)nn2)CC1 ZINC001168945964 832440949 /nfs/dbraw/zinc/44/09/49/832440949.db2.gz CFJNHBGMLZMNKN-UHFFFAOYSA-N 1 3 329.408 -0.013 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001171770556 832575812 /nfs/dbraw/zinc/57/58/12/832575812.db2.gz SKFRURFBAPDXTD-UHFFFAOYSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001171873669 832577668 /nfs/dbraw/zinc/57/76/68/832577668.db2.gz TULJWTVQJKBILL-ZBUZPQQSSA-N 1 3 338.452 -0.401 20 0 EBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174681892 832593950 /nfs/dbraw/zinc/59/39/50/832593950.db2.gz CDCMPTLVSCWOPQ-JSGCOSHPSA-N 1 3 342.440 -0.231 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001174691328 832594221 /nfs/dbraw/zinc/59/42/21/832594221.db2.gz IVIIJIUPQMIPOW-UHFFFAOYSA-N 1 3 336.396 -0.702 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001176972308 832722490 /nfs/dbraw/zinc/72/24/90/832722490.db2.gz VUXCAAWTFVYHIZ-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176992540 832727565 /nfs/dbraw/zinc/72/75/65/832727565.db2.gz SVPDZSNATMCRMI-AWEZNQCLSA-N 1 3 325.457 -0.018 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178716250 832903670 /nfs/dbraw/zinc/90/36/70/832903670.db2.gz NCQSDZJFKRBSSA-CFVMTHIKSA-N 1 3 343.493 -0.048 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178735866 832907498 /nfs/dbraw/zinc/90/74/98/832907498.db2.gz GYYKOCBHKWVCIV-ZDEQEGDKSA-N 1 3 339.440 -0.509 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(N)=O)[C@@H]2C)CC[N@H+]1C ZINC001178735866 832907508 /nfs/dbraw/zinc/90/75/08/832907508.db2.gz GYYKOCBHKWVCIV-ZDEQEGDKSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179534761 832986323 /nfs/dbraw/zinc/98/63/23/832986323.db2.gz VHQKRZWPKIMOML-RDBSUJKOSA-N 1 3 346.497 -0.401 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106805 833900969 /nfs/dbraw/zinc/90/09/69/833900969.db2.gz MIKKWFDVPFBSAM-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106805 833900973 /nfs/dbraw/zinc/90/09/73/833900973.db2.gz MIKKWFDVPFBSAM-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188140047 834013058 /nfs/dbraw/zinc/01/30/58/834013058.db2.gz WUROFGDILTUHNB-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001188158734 834016644 /nfs/dbraw/zinc/01/66/44/834016644.db2.gz WRTBZJKRCZKORG-LSDHHAIUSA-N 1 3 340.468 -0.236 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346337 834036329 /nfs/dbraw/zinc/03/63/29/834036329.db2.gz JAICXIRSBINBAU-CYBMUJFWSA-N 1 3 339.440 -0.362 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COCCOC)C1 ZINC001193642397 834921564 /nfs/dbraw/zinc/92/15/64/834921564.db2.gz NHTSEVLZPLOFGG-JKSUJKDBSA-N 1 3 345.484 -0.115 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COCCOC)C1 ZINC001193642397 834921566 /nfs/dbraw/zinc/92/15/66/834921566.db2.gz NHTSEVLZPLOFGG-JKSUJKDBSA-N 1 3 345.484 -0.115 20 0 EBADHO C[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194027045 835002081 /nfs/dbraw/zinc/00/20/81/835002081.db2.gz OVQCNYNDJVTENO-HOTGVXAUSA-N 1 3 335.452 -0.128 20 0 EBADHO C[N@@H+](C[C@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194027045 835002092 /nfs/dbraw/zinc/00/20/92/835002092.db2.gz OVQCNYNDJVTENO-HOTGVXAUSA-N 1 3 335.452 -0.128 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198699639 835710988 /nfs/dbraw/zinc/71/09/88/835710988.db2.gz VIVRRGDVLUBKGP-RBSFLKMASA-N 1 3 329.441 -0.848 20 0 EBADHO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198699639 835710990 /nfs/dbraw/zinc/71/09/90/835710990.db2.gz VIVRRGDVLUBKGP-RBSFLKMASA-N 1 3 329.441 -0.848 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787653 835861255 /nfs/dbraw/zinc/86/12/55/835861255.db2.gz CEKDSOXUXTXZRK-HOTGVXAUSA-N 1 3 343.468 -0.315 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200479248 835972739 /nfs/dbraw/zinc/97/27/39/835972739.db2.gz OWJVKFVVEICXQV-ZIAGYGMSSA-N 1 3 326.441 -0.448 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200479248 835972742 /nfs/dbraw/zinc/97/27/42/835972742.db2.gz OWJVKFVVEICXQV-ZIAGYGMSSA-N 1 3 326.441 -0.448 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001200687440 836014729 /nfs/dbraw/zinc/01/47/29/836014729.db2.gz BEIKONNQMZQQLZ-CABCVRRESA-N 1 3 340.468 -0.343 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001200687440 836014743 /nfs/dbraw/zinc/01/47/43/836014743.db2.gz BEIKONNQMZQQLZ-CABCVRRESA-N 1 3 340.468 -0.343 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)C1CC1 ZINC001200688631 836017115 /nfs/dbraw/zinc/01/71/15/836017115.db2.gz SNXNNKFILXILCX-HZPDHXFCSA-N 1 3 343.468 -0.457 20 0 EBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200703379 836019208 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O=C(CCC[NH+]1CCCC1)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001321416210 838986813 /nfs/dbraw/zinc/98/68/13/838986813.db2.gz HGRMGXAYVRUOLA-YUKKFKLSSA-N 1 3 336.436 -0.070 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001323443340 839442834 /nfs/dbraw/zinc/44/28/34/839442834.db2.gz RDABZAWVDZQACQ-OLZOCXBDSA-N 1 3 336.436 -0.097 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001323443340 839442837 /nfs/dbraw/zinc/44/28/37/839442837.db2.gz RDABZAWVDZQACQ-OLZOCXBDSA-N 1 3 336.436 -0.097 20 0 EBADHO CN(C)C1(C(=O)NCC2([NH2+]CCN3C(=O)CNC3=O)CC2)CCC1 ZINC001323460546 839447668 /nfs/dbraw/zinc/44/76/68/839447668.db2.gz YVNIKCYWPFJRIE-UHFFFAOYSA-N 1 3 337.424 -0.739 20 0 EBADHO CC(C)NC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001326024624 840006270 /nfs/dbraw/zinc/00/62/70/840006270.db2.gz WJMRGOBRUMWRHL-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)NC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001326024624 840006274 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340.468 -0.006 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001333979434 841980054 /nfs/dbraw/zinc/98/00/54/841980054.db2.gz MFJLVNZFIXYUPN-CQSZACIVSA-N 1 3 337.468 -0.907 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001335195886 842220727 /nfs/dbraw/zinc/22/07/27/842220727.db2.gz DLZGOQWBBGVZCT-GJZGRUSLSA-N 1 3 339.484 -0.817 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001691324894 1125851124 /nfs/dbraw/zinc/85/11/24/1125851124.db2.gz ZUWDUXGTGMJWSN-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N2CCOCC2)CC[N@H+]1C ZINC001691324894 1125851126 /nfs/dbraw/zinc/85/11/26/1125851126.db2.gz ZUWDUXGTGMJWSN-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001481280029 1125963157 /nfs/dbraw/zinc/96/31/57/1125963157.db2.gz NEVRWKORBXZZTP-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001481280029 1125963159 /nfs/dbraw/zinc/96/31/59/1125963159.db2.gz NEVRWKORBXZZTP-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001481458463 1125994008 /nfs/dbraw/zinc/99/40/08/1125994008.db2.gz WDANZEBVVUKRQW-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001481458463 1125994010 /nfs/dbraw/zinc/99/40/10/1125994010.db2.gz WDANZEBVVUKRQW-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO O=C(NCC[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455601 1125993412 /nfs/dbraw/zinc/99/34/12/1125993412.db2.gz BIHPRWCKHRWLOU-KBPBESRZSA-N 1 3 348.447 -0.284 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001482065021 1126075263 /nfs/dbraw/zinc/07/52/63/1126075263.db2.gz DFWBZGUWTQZXDP-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001482296854 1126122228 /nfs/dbraw/zinc/12/22/28/1126122228.db2.gz AGYUOISEBXUSKX-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001482296851 1126122285 /nfs/dbraw/zinc/12/22/85/1126122285.db2.gz AGYUOISEBXUSKX-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001482461461 1126158604 /nfs/dbraw/zinc/15/86/04/1126158604.db2.gz OVOAZNQTYIQPKJ-CYBMUJFWSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@@H](O)CN1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001490466915 1129181529 /nfs/dbraw/zinc/18/15/29/1129181529.db2.gz LZXZMMGWYDMRQT-BZUAXINKSA-N 1 3 326.485 -0.169 20 0 EBADHO C[C@@H](O)CN1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001490466915 1129181530 /nfs/dbraw/zinc/18/15/30/1129181530.db2.gz LZXZMMGWYDMRQT-BZUAXINKSA-N 1 3 326.485 -0.169 20 0 EBADHO C[C@@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC001648975993 1126206157 /nfs/dbraw/zinc/20/61/57/1126206157.db2.gz FWIQBRIUHVWUAA-AWEZNQCLSA-N 1 3 337.468 -0.115 20 0 EBADHO C[C@H](NC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761848 1126280364 /nfs/dbraw/zinc/28/03/64/1126280364.db2.gz HXPZJULDJNBWAU-STQMWFEESA-N 1 3 342.484 -0.302 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790832 1126292367 /nfs/dbraw/zinc/29/23/67/1126292367.db2.gz KMKANTBAWQISSZ-KBPBESRZSA-N 1 3 342.484 -0.443 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790832 1126292369 /nfs/dbraw/zinc/29/23/69/1126292369.db2.gz KMKANTBAWQISSZ-KBPBESRZSA-N 1 3 342.484 -0.443 20 0 EBADHO CCN(CCNCC(=O)NC1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967701 1126307258 /nfs/dbraw/zinc/30/72/58/1126307258.db2.gz XDHKZVRJGASESJ-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CCNCC(=O)NC1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482967701 1126307260 /nfs/dbraw/zinc/30/72/60/1126307260.db2.gz XDHKZVRJGASESJ-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CN1CCCC1 ZINC001482967434 1126307349 /nfs/dbraw/zinc/30/73/49/1126307349.db2.gz RBGXGPBJSUKVFH-UHFFFAOYSA-N 1 3 325.413 -0.928 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483008895 1126311999 /nfs/dbraw/zinc/31/19/99/1126311999.db2.gz PGYPXCJWWWBNQR-SEDMMIDLSA-N 1 3 336.436 -0.216 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483008895 1126312001 /nfs/dbraw/zinc/31/20/01/1126312001.db2.gz PGYPXCJWWWBNQR-SEDMMIDLSA-N 1 3 336.436 -0.216 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023278 1126314390 /nfs/dbraw/zinc/31/43/90/1126314390.db2.gz XBGLHGJKZLDIOH-RSNNXLNZSA-N 1 3 339.440 -0.294 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001483023278 1126314393 /nfs/dbraw/zinc/31/43/93/1126314393.db2.gz XBGLHGJKZLDIOH-RSNNXLNZSA-N 1 3 339.440 -0.294 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369375 1126359487 /nfs/dbraw/zinc/35/94/87/1126359487.db2.gz BVRAOWAXWZSRLA-WDEREUQCSA-N 1 3 327.429 -0.733 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001483456094 1126428754 /nfs/dbraw/zinc/42/87/54/1126428754.db2.gz MOBKIBNWGNDGJA-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCN2CCNC2=O)C1 ZINC001483493206 1126430964 /nfs/dbraw/zinc/43/09/64/1126430964.db2.gz UYKQYEJQSQZHFM-AWEZNQCLSA-N 1 3 325.457 -0.209 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001483951372 1126492906 /nfs/dbraw/zinc/49/29/06/1126492906.db2.gz CKFVZWMAKWOTRD-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001483951372 1126492907 /nfs/dbraw/zinc/49/29/07/1126492907.db2.gz CKFVZWMAKWOTRD-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO C[C@@H]([NH2+]CCN1CCNC1=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484356317 1126565130 /nfs/dbraw/zinc/56/51/30/1126565130.db2.gz KRMQAEUOBHKOAU-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001484418537 1126571861 /nfs/dbraw/zinc/57/18/61/1126571861.db2.gz OIGNJLIEPCGFJB-HNNXBMFYSA-N 1 3 339.484 -0.661 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484514481 1126600605 /nfs/dbraw/zinc/60/06/05/1126600605.db2.gz ZVBJBGUSNRVUNB-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513146 1126600611 /nfs/dbraw/zinc/60/06/11/1126600611.db2.gz MEIBMNTVFBRYMY-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCCNS(C)(=O)=O)CCC2)C1 ZINC001484660695 1126614642 /nfs/dbraw/zinc/61/46/42/1126614642.db2.gz MVCPPBGPWMOWLG-CYBMUJFWSA-N 1 3 346.497 -0.494 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCCNS(C)(=O)=O)CCC2)C1 ZINC001484660695 1126614644 /nfs/dbraw/zinc/61/46/44/1126614644.db2.gz MVCPPBGPWMOWLG-CYBMUJFWSA-N 1 3 346.497 -0.494 20 0 EBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001484695223 1126624449 /nfs/dbraw/zinc/62/44/49/1126624449.db2.gz AOSSYEGRGNJIEV-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001484695385 1126624456 /nfs/dbraw/zinc/62/44/56/1126624456.db2.gz CWRZRAARZOZMPR-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001484903366 1126651738 /nfs/dbraw/zinc/65/17/38/1126651738.db2.gz ABZSNNKUGXORRE-UONOGXRCSA-N 1 3 325.457 -0.210 20 0 EBADHO COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001484961830 1126656738 /nfs/dbraw/zinc/65/67/38/1126656738.db2.gz WJRRWLHUYLFZAN-LSDHHAIUSA-N 1 3 345.484 -0.477 20 0 EBADHO C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001485227094 1126682346 /nfs/dbraw/zinc/68/23/46/1126682346.db2.gz UUOUNHINYRUVKE-CHWSQXEVSA-N 1 3 341.456 -0.070 20 0 EBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833574 1126888512 /nfs/dbraw/zinc/88/85/12/1126888512.db2.gz JORAAYOJEGKURA-KBPBESRZSA-N 1 3 331.482 -0.191 20 0 EBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833574 1126888515 /nfs/dbraw/zinc/88/85/15/1126888515.db2.gz JORAAYOJEGKURA-KBPBESRZSA-N 1 3 331.482 -0.191 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485921955 1126916713 /nfs/dbraw/zinc/91/67/13/1126916713.db2.gz FPRPOVZFBMAPQL-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485921955 1126916716 /nfs/dbraw/zinc/91/67/16/1126916716.db2.gz FPRPOVZFBMAPQL-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032800 1127002827 /nfs/dbraw/zinc/00/28/27/1127002827.db2.gz DEUSZSWPNDYTHY-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001486095201 1127031994 /nfs/dbraw/zinc/03/19/94/1127031994.db2.gz HJZIUUWSYHDVFV-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125326 1127041898 /nfs/dbraw/zinc/04/18/98/1127041898.db2.gz CWZXHUYDKCTCDO-GXTWGEPZSA-N 1 3 336.440 -0.617 20 0 EBADHO CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319182 1127120961 /nfs/dbraw/zinc/12/09/61/1127120961.db2.gz XKQLZVCAJYKFLW-CABCVRRESA-N 1 3 340.468 -0.450 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410113201 1127577444 /nfs/dbraw/zinc/57/74/44/1127577444.db2.gz QIPVGFNSSPMPOD-ZIAGYGMSSA-N 1 3 349.435 -0.804 20 0 EBADHO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001410151336 1127629167 /nfs/dbraw/zinc/62/91/67/1127629167.db2.gz LBTXLDYWVOCXTR-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001410151361 1127629612 /nfs/dbraw/zinc/62/96/12/1127629612.db2.gz LBTXLDYWVOCXTR-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(CC(=O)NC(N)=O)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001410250355 1127658922 /nfs/dbraw/zinc/65/89/22/1127658922.db2.gz QCWIRYXVSZQAJU-UHFFFAOYSA-N 1 3 327.429 -0.554 20 0 EBADHO C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001410480441 1127726273 /nfs/dbraw/zinc/72/62/73/1127726273.db2.gz QSZSECAKXBTSSO-CYBMUJFWSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1)[NH+](C)C ZINC001410986419 1127961990 /nfs/dbraw/zinc/96/19/90/1127961990.db2.gz OFPKLLXRMUEBRA-DGCLKSJQSA-N 1 3 341.456 -0.406 20 0 EBADHO CN(CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)CC(C)(C)C ZINC001411105779 1128018016 /nfs/dbraw/zinc/01/80/16/1128018016.db2.gz UWDMFTSGFFVZGK-UONOGXRCSA-N 1 3 342.484 -0.348 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834506 1128355810 /nfs/dbraw/zinc/35/58/10/1128355810.db2.gz FDCUZQYDPCSHDX-CYBMUJFWSA-N 1 3 339.440 -0.492 20 0 EBADHO CO[C@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001489080004 1128907818 /nfs/dbraw/zinc/90/78/18/1128907818.db2.gz BUCPWGUEQUNNNR-VXGBXAGGSA-N 1 3 337.424 -0.125 20 0 EBADHO CO[C@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001489080004 1128907821 /nfs/dbraw/zinc/90/78/21/1128907821.db2.gz BUCPWGUEQUNNNR-VXGBXAGGSA-N 1 3 337.424 -0.125 20 0 EBADHO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001490836505 1129623393 /nfs/dbraw/zinc/62/33/93/1129623393.db2.gz ISQMFSITIUSEDZ-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001490949624 1130272276 /nfs/dbraw/zinc/27/22/76/1130272276.db2.gz MVNYOVAGUAHYLL-IJLUTSLNSA-N 1 3 327.429 -0.591 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001490949625 1130272472 /nfs/dbraw/zinc/27/24/72/1130272472.db2.gz MVNYOVAGUAHYLL-SRVKXCTJSA-N 1 3 327.429 -0.591 20 0 EBADHO CN(CC(=O)NCCNC(=O)COC1CC[NH+](C)CC1)C1CCC1 ZINC001491384282 1130421631 /nfs/dbraw/zinc/42/16/31/1130421631.db2.gz QYWHPGKWUKTSNG-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491477914 1130462073 /nfs/dbraw/zinc/46/20/73/1130462073.db2.gz NNXCWYLBHGZEGB-CYBMUJFWSA-N 1 3 340.468 -0.140 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530626 1130826838 /nfs/dbraw/zinc/82/68/38/1130826838.db2.gz LAOMROPFGZDVMA-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO C[C@H](CN1CCN(C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001356621814 1130886967 /nfs/dbraw/zinc/88/69/67/1130886967.db2.gz MZNVAQJSSZQYHP-CQSZACIVSA-N 1 3 326.489 -0.655 20 0 EBADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC001364220485 1132242306 /nfs/dbraw/zinc/24/23/06/1132242306.db2.gz QJIYMCUQNGFSDK-PMPSAXMXSA-N 1 3 341.500 -0.281 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365825215 1132820207 /nfs/dbraw/zinc/82/02/07/1132820207.db2.gz URRIOSKBRHPFHZ-MCIONIFRSA-N 1 3 331.482 -0.143 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365825215 1132820214 /nfs/dbraw/zinc/82/02/14/1132820214.db2.gz URRIOSKBRHPFHZ-MCIONIFRSA-N 1 3 331.482 -0.143 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366097105 1133002431 /nfs/dbraw/zinc/00/24/31/1133002431.db2.gz CXOWWGKHRRRBGQ-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)N(C)C ZINC001366116166 1133013209 /nfs/dbraw/zinc/01/32/09/1133013209.db2.gz GSDOYMWACVKJFH-KBUPBQIOSA-N 1 3 340.468 -0.141 20 0 EBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366287338 1133084827 /nfs/dbraw/zinc/08/48/27/1133084827.db2.gz NUJFUOYWCJEBAM-UONOGXRCSA-N 1 3 340.468 -0.140 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366388347 1133125206 /nfs/dbraw/zinc/12/52/06/1133125206.db2.gz ANUAGVOLMAHHQB-NEPJUHHUSA-N 1 3 325.413 -0.883 20 0 EBADHO COC[C@H](O)CN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001367018598 1133429438 /nfs/dbraw/zinc/42/94/38/1133429438.db2.gz KQRDSMPOBALMOA-UONOGXRCSA-N 1 3 329.441 -0.705 20 0 EBADHO CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001367592566 1133664860 /nfs/dbraw/zinc/66/48/60/1133664860.db2.gz RLDPARPTMQPZMB-VHDGCEQUSA-N 1 3 340.468 -0.596 20 0 EBADHO CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001367592566 1133664862 /nfs/dbraw/zinc/66/48/62/1133664862.db2.gz RLDPARPTMQPZMB-VHDGCEQUSA-N 1 3 340.468 -0.596 20 0 EBADHO CC(C)N1CC[C@@H](NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600925 1133677980 /nfs/dbraw/zinc/67/79/80/1133677980.db2.gz LZDBXWMRAVTEKL-ZIAGYGMSSA-N 1 3 340.468 -0.596 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)CC1 ZINC001367604498 1133682724 /nfs/dbraw/zinc/68/27/24/1133682724.db2.gz RORBKEBVBMBCJO-HNNXBMFYSA-N 1 3 340.468 -0.593 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613533 1133693807 /nfs/dbraw/zinc/69/38/07/1133693807.db2.gz CMVCJALXHIISDX-CHWSQXEVSA-N 1 3 328.457 -0.690 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001367617023 1133698692 /nfs/dbraw/zinc/69/86/92/1133698692.db2.gz BXERIDSVYMMEHF-ZJUUUORDSA-N 1 3 338.330 -0.359 20 0 EBADHO COc1cc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001367625650 1133712916 /nfs/dbraw/zinc/71/29/16/1133712916.db2.gz REHQTNRTJXGIHB-CABCVRRESA-N 1 3 336.436 -0.001 20 0 EBADHO COc1cc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001367625650 1133712917 /nfs/dbraw/zinc/71/29/17/1133712917.db2.gz REHQTNRTJXGIHB-CABCVRRESA-N 1 3 336.436 -0.001 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)NC1CCOCC1)[NH+](C)C ZINC001367679125 1133742871 /nfs/dbraw/zinc/74/28/71/1133742871.db2.gz YZIIODBDZGSMTN-CJNGLKHVSA-N 1 3 342.484 -0.038 20 0 EBADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001367764580 1133776087 /nfs/dbraw/zinc/77/60/87/1133776087.db2.gz SSCJGTUCKLEYEL-GXTWGEPZSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906049 1133834214 /nfs/dbraw/zinc/83/42/14/1133834214.db2.gz ABOOLWUWXFQRMH-GXFFZTMASA-N 1 3 339.440 -0.604 20 0 EBADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001368146613 1133958672 /nfs/dbraw/zinc/95/86/72/1133958672.db2.gz QFRWQEHGWMUOEM-MRXNPFEDSA-N 1 3 326.485 -0.071 20 0 EBADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001368146613 1133958677 /nfs/dbraw/zinc/95/86/77/1133958677.db2.gz QFRWQEHGWMUOEM-MRXNPFEDSA-N 1 3 326.485 -0.071 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001368232512 1134001451 /nfs/dbraw/zinc/00/14/51/1134001451.db2.gz YCFGFNXNTNROLU-CQSZACIVSA-N 1 3 340.468 -0.153 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001368232512 1134001457 /nfs/dbraw/zinc/00/14/57/1134001457.db2.gz YCFGFNXNTNROLU-CQSZACIVSA-N 1 3 340.468 -0.153 20 0 EBADHO CNC(=O)[C@H](C)NCCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001368395852 1134197692 /nfs/dbraw/zinc/19/76/92/1134197692.db2.gz SKQTXHJTKUKCAH-AWEZNQCLSA-N 1 3 342.484 -0.204 20 0 EBADHO NC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001368476785 1134246452 /nfs/dbraw/zinc/24/64/52/1134246452.db2.gz XFUTZMQOYXTLLH-GFCCVEGCSA-N 1 3 337.424 -0.848 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)N(C)C2CC2)C1 ZINC001368518179 1134270222 /nfs/dbraw/zinc/27/02/22/1134270222.db2.gz ZUJWCXLKTKHXDW-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)N(C)C2CC2)C1 ZINC001368518179 1134270230 /nfs/dbraw/zinc/27/02/30/1134270230.db2.gz ZUJWCXLKTKHXDW-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCOCC1)N(C)C ZINC001368636132 1134347855 /nfs/dbraw/zinc/34/78/55/1134347855.db2.gz IGSFPRJJKRLSRM-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCCS(C)(=O)=O ZINC001368651895 1134356337 /nfs/dbraw/zinc/35/63/37/1134356337.db2.gz FQUKLPSXJCXEAL-OLZOCXBDSA-N 1 3 329.466 -0.437 20 0 EBADHO CCNC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001368664559 1134364354 /nfs/dbraw/zinc/36/43/54/1134364354.db2.gz YFNODQVEEVRHCJ-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001368684737 1134385089 /nfs/dbraw/zinc/38/50/89/1134385089.db2.gz GTDPZNFRCBFUQN-KGLIPLIRSA-N 1 3 338.452 -0.568 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001368684737 1134385099 /nfs/dbraw/zinc/38/50/99/1134385099.db2.gz GTDPZNFRCBFUQN-KGLIPLIRSA-N 1 3 338.452 -0.568 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368750071 1134416940 /nfs/dbraw/zinc/41/69/40/1134416940.db2.gz QPMACMCZKBIVMB-CYBMUJFWSA-N 1 3 341.456 -0.118 20 0 EBADHO CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147856 1134592584 /nfs/dbraw/zinc/59/25/84/1134592584.db2.gz CIIOOUGNWJQZHN-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001369229660 1134624472 /nfs/dbraw/zinc/62/44/72/1134624472.db2.gz PEZYWRRULQNRBI-NWDGAFQWSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241809 1134626616 /nfs/dbraw/zinc/62/66/16/1134626616.db2.gz VMUXBPMOIGWWGE-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001369293382 1134642895 /nfs/dbraw/zinc/64/28/95/1134642895.db2.gz MTDWEIRXYOLWQD-NEPJUHHUSA-N 1 3 329.445 -0.391 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369302642 1134646187 /nfs/dbraw/zinc/64/61/87/1134646187.db2.gz JGHZCYNOMOMQRM-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369302642 1134646190 /nfs/dbraw/zinc/64/61/90/1134646190.db2.gz JGHZCYNOMOMQRM-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455338 1134794492 /nfs/dbraw/zinc/79/44/92/1134794492.db2.gz IHGQFMRVJJYQAZ-NEPJUHHUSA-N 1 3 341.456 -0.263 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369467179 1134813054 /nfs/dbraw/zinc/81/30/54/1134813054.db2.gz LJVHWVRPSJFFKK-DLBZAZTESA-N 1 3 349.479 -0.021 20 0 EBADHO CN(CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)CC(C)(C)C ZINC001369476902 1134837617 /nfs/dbraw/zinc/83/76/17/1134837617.db2.gz TXDXJOYOSKCKON-KBPBESRZSA-N 1 3 342.484 -0.396 20 0 EBADHO CN(CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)CC(C)(C)C ZINC001369476907 1134838004 /nfs/dbraw/zinc/83/80/04/1134838004.db2.gz TXDXJOYOSKCKON-UONOGXRCSA-N 1 3 342.484 -0.396 20 0 EBADHO COc1cc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001369478447 1134841935 /nfs/dbraw/zinc/84/19/35/1134841935.db2.gz CPENUEQQKWAONM-GJZGRUSLSA-N 1 3 336.436 -0.049 20 0 EBADHO COc1cc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001369478447 1134841941 /nfs/dbraw/zinc/84/19/41/1134841941.db2.gz CPENUEQQKWAONM-GJZGRUSLSA-N 1 3 336.436 -0.049 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484671 1134854518 /nfs/dbraw/zinc/85/45/18/1134854518.db2.gz QPIHNBKDZBNKGE-KGLIPLIRSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167636 1135233328 /nfs/dbraw/zinc/23/33/28/1135233328.db2.gz MHNOPWLODDUYNI-ZYHUDNBSSA-N 1 3 339.440 -0.462 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)CC1 ZINC001370404759 1135336916 /nfs/dbraw/zinc/33/69/16/1135336916.db2.gz KAZHGAYMBUOIOA-AWEZNQCLSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)S(C)(=O)=O ZINC001370407865 1135339137 /nfs/dbraw/zinc/33/91/37/1135339137.db2.gz IMZOOZDHCHGJBU-ZDUSSCGKSA-N 1 3 332.470 -0.836 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001370520646 1135389089 /nfs/dbraw/zinc/38/90/89/1135389089.db2.gz JUNNRXCVWWSFIY-XUXIUFHCSA-N 1 3 331.482 -0.002 20 0 EBADHO CCN(CC)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370705152 1135523442 /nfs/dbraw/zinc/52/34/42/1135523442.db2.gz CIBSLCMXFZSOKH-LSDHHAIUSA-N 1 3 340.468 -0.737 20 0 EBADHO CCN(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749967 1135589890 /nfs/dbraw/zinc/58/98/90/1135589890.db2.gz HCARUPDRVGSXJR-ZDUSSCGKSA-N 1 3 340.468 -0.594 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCCC[C@H]2CNCC(N)=O)n1 ZINC001370914327 1135693978 /nfs/dbraw/zinc/69/39/78/1135693978.db2.gz WFGFPZBGBIFSFH-ZDUSSCGKSA-N 1 3 336.440 -0.486 20 0 EBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC[C@@H]1CCCO1 ZINC001371434009 1135909599 /nfs/dbraw/zinc/90/95/99/1135909599.db2.gz XFJRBBPVBCVVRO-KGLIPLIRSA-N 1 3 338.452 -0.528 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001371463028 1135923901 /nfs/dbraw/zinc/92/39/01/1135923901.db2.gz ULUPWFQEBWVBHB-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001371463028 1135923902 /nfs/dbraw/zinc/92/39/02/1135923902.db2.gz ULUPWFQEBWVBHB-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001371467736 1135927343 /nfs/dbraw/zinc/92/73/43/1135927343.db2.gz KPTYSBDYTPVKKT-ZIAGYGMSSA-N 1 3 342.484 -0.254 20 0 EBADHO CN(CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)S(C)(=O)=O ZINC001371519966 1135946754 /nfs/dbraw/zinc/94/67/54/1135946754.db2.gz IVNSRYRSTXPYOV-QWHCGFSZSA-N 1 3 332.470 -0.838 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805655 1136564103 /nfs/dbraw/zinc/56/41/03/1136564103.db2.gz JKJPRHZSBSBEJV-QWHCGFSZSA-N 1 3 341.456 -0.071 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889122 1136581088 /nfs/dbraw/zinc/58/10/88/1136581088.db2.gz NHSUCTWIYAOBLD-ZBEGNZNMSA-N 1 3 339.440 -0.602 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889116 1136581272 /nfs/dbraw/zinc/58/12/72/1136581272.db2.gz NHSUCTWIYAOBLD-BDJLRTHQSA-N 1 3 339.440 -0.602 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001373960027 1136593269 /nfs/dbraw/zinc/59/32/69/1136593269.db2.gz XBSPWIQPDYUEKW-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275665 1136663824 /nfs/dbraw/zinc/66/38/24/1136663824.db2.gz JIVJFHOPEYLDLY-RYUDHWBXSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)CN1CCCC1 ZINC001374323457 1136673679 /nfs/dbraw/zinc/67/36/79/1136673679.db2.gz BQOCPLDFHYMBLL-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374385305 1136681043 /nfs/dbraw/zinc/68/10/43/1136681043.db2.gz OOELZXZZSKZURJ-VXGBXAGGSA-N 1 3 327.429 -0.652 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C1CCC1 ZINC001374614663 1136748332 /nfs/dbraw/zinc/74/83/32/1136748332.db2.gz HEEVHMOZFFBLOD-ZIAGYGMSSA-N 1 3 326.441 -0.842 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670931 1136789819 /nfs/dbraw/zinc/78/98/19/1136789819.db2.gz NFQMJONUXDMNSR-UKRRQHHQSA-N 1 3 340.468 -0.546 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670931 1136789824 /nfs/dbraw/zinc/78/98/24/1136789824.db2.gz NFQMJONUXDMNSR-UKRRQHHQSA-N 1 3 340.468 -0.546 20 0 EBADHO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)CN2CCOCC2)on1 ZINC001374683765 1136799810 /nfs/dbraw/zinc/79/98/10/1136799810.db2.gz KAOSKMHFAFSGJG-TZMCWYRMSA-N 1 3 340.424 -0.482 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNCC(=O)N1CCCC1 ZINC001374685207 1136800906 /nfs/dbraw/zinc/80/09/06/1136800906.db2.gz NVYHKQJSBZVYGP-OAHLLOKOSA-N 1 3 340.468 -0.449 20 0 EBADHO CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687470 1136802991 /nfs/dbraw/zinc/80/29/91/1136802991.db2.gz ZZGKIDFYPDIIKO-GXTWGEPZSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001374687470 1136802995 /nfs/dbraw/zinc/80/29/95/1136802995.db2.gz ZZGKIDFYPDIIKO-GXTWGEPZSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001374828597 1136843778 /nfs/dbraw/zinc/84/37/78/1136843778.db2.gz MESFVLTVLQVYKL-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001374850222 1136853373 /nfs/dbraw/zinc/85/33/73/1136853373.db2.gz UYEDZBKLMFEHLC-ZIAGYGMSSA-N 1 3 348.513 -0.298 20 0 EBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000643577011 375910911 /nfs/dbraw/zinc/91/09/11/375910911.db2.gz YNFXLROKIJMJRF-ZIAGYGMSSA-N 1 3 325.457 -0.923 20 0 EBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000643558755 375901412 /nfs/dbraw/zinc/90/14/12/375901412.db2.gz XLQGIJFCGIGTRP-MELADBBJSA-N 1 3 326.441 -0.498 20 0 EBADHO C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)O1)N(C)C ZINC000616488068 376102790 /nfs/dbraw/zinc/10/27/90/376102790.db2.gz BVWBNCJDWGTBBD-XDQVBPFNSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)O1)N(C)C ZINC000616488068 376102795 /nfs/dbraw/zinc/10/27/95/376102795.db2.gz BVWBNCJDWGTBBD-XDQVBPFNSA-N 1 3 328.457 -0.333 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1=O ZINC000118883687 376114779 /nfs/dbraw/zinc/11/47/79/376114779.db2.gz ZYDHDUHQFIHJRE-CYBMUJFWSA-N 1 3 336.440 -0.207 20 0 EBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CS1 ZINC000564820268 376148712 /nfs/dbraw/zinc/14/87/12/376148712.db2.gz ZMEUUGUJRMXGRC-STQMWFEESA-N 1 3 330.498 -0.052 20 0 EBADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)NC1C[NH2+]C1 ZINC000557262460 376167020 /nfs/dbraw/zinc/16/70/20/376167020.db2.gz KIDIEARNEFXALV-MRXNPFEDSA-N 1 3 346.431 -0.518 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565882982 376226618 /nfs/dbraw/zinc/22/66/18/376226618.db2.gz XSPGTGYXHRWWFO-HUUCEWRRSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000565882982 376226622 /nfs/dbraw/zinc/22/66/22/376226622.db2.gz XSPGTGYXHRWWFO-HUUCEWRRSA-N 1 3 339.484 -0.676 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561253283 376823879 /nfs/dbraw/zinc/82/38/79/376823879.db2.gz JLGQTILBDQIWKG-KRWDZBQOSA-N 1 3 340.468 -0.327 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642991391 377443044 /nfs/dbraw/zinc/44/30/44/377443044.db2.gz VNKGVPUUCDEFBB-UHFFFAOYSA-N 1 3 335.408 -0.918 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CCN2C1=O ZINC000595272384 377987803 /nfs/dbraw/zinc/98/78/03/377987803.db2.gz YOJWJIIZUZZQIG-GXTWGEPZSA-N 1 3 335.383 -0.262 20 0 EBADHO NC(=O)NC(=O)CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910493 378035691 /nfs/dbraw/zinc/03/56/91/378035691.db2.gz ILNYXMISTJIOOH-LBPRGKRZSA-N 1 3 349.439 -0.416 20 0 EBADHO COC(=O)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595977980 378043401 /nfs/dbraw/zinc/04/34/01/378043401.db2.gz QZTRNDRHRITZPE-KGLIPLIRSA-N 1 3 326.441 -0.496 20 0 EBADHO COC(=O)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595977980 378043405 /nfs/dbraw/zinc/04/34/05/378043405.db2.gz QZTRNDRHRITZPE-KGLIPLIRSA-N 1 3 326.441 -0.496 20 0 EBADHO COC(=O)C[C@H](N)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595977980 378043410 /nfs/dbraw/zinc/04/34/10/378043410.db2.gz QZTRNDRHRITZPE-KGLIPLIRSA-N 1 3 326.441 -0.496 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3COC[C@@H]3O)CC2)CC1 ZINC000636680910 378302441 /nfs/dbraw/zinc/30/24/41/378302441.db2.gz QMUVHXNMMAAMOW-CABCVRRESA-N 1 3 326.441 -0.396 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000563143431 378451717 /nfs/dbraw/zinc/45/17/17/378451717.db2.gz NAHZDGOCCUMCTJ-OLZOCXBDSA-N 1 3 327.473 -0.629 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COCCN1C ZINC000637265481 378555353 /nfs/dbraw/zinc/55/53/53/378555353.db2.gz QSWNRWCXXVLQKL-LSDHHAIUSA-N 1 3 329.489 -0.112 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COCCN1C ZINC000637265481 378555361 /nfs/dbraw/zinc/55/53/61/378555361.db2.gz QSWNRWCXXVLQKL-LSDHHAIUSA-N 1 3 329.489 -0.112 20 0 EBADHO CNS(=O)(=O)CCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000338149961 378741263 /nfs/dbraw/zinc/74/12/63/378741263.db2.gz NLCBFBVHVGWMIV-ZIAGYGMSSA-N 1 3 346.497 -0.494 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000629790991 379136273 /nfs/dbraw/zinc/13/62/73/379136273.db2.gz OYCOUMGNGCXIQK-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000629792429 379137882 /nfs/dbraw/zinc/13/78/82/379137882.db2.gz NZHOODWAWFIJOR-AWEZNQCLSA-N 1 3 326.441 -0.493 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000629795949 379138734 /nfs/dbraw/zinc/13/87/34/379138734.db2.gz NGNPKOSDVAMVCC-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000629798891 379142010 /nfs/dbraw/zinc/14/20/10/379142010.db2.gz MKUHHTRNMCXRCK-KBPBESRZSA-N 1 3 328.457 -0.521 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C[NH2+]1 ZINC000627296833 379142160 /nfs/dbraw/zinc/14/21/60/379142160.db2.gz URXXAOGDAUXWMB-QLFBSQMISA-N 1 3 340.468 -0.140 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000629798978 379142888 /nfs/dbraw/zinc/14/28/88/379142888.db2.gz CSJPHWLZPBMLNZ-UHFFFAOYSA-N 1 3 340.468 -0.103 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000629815459 379155415 /nfs/dbraw/zinc/15/54/15/379155415.db2.gz ALNNJPPYAVWOBG-KRWDZBQOSA-N 1 3 340.468 -0.375 20 0 EBADHO COC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554710 379216767 /nfs/dbraw/zinc/21/67/67/379216767.db2.gz IVZZPHAAODPXRB-WMLDXEAASA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627306011 379279174 /nfs/dbraw/zinc/27/91/74/379279174.db2.gz NGBGTJMXSHHPOH-LSDHHAIUSA-N 1 3 340.468 -0.322 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312308 379305126 /nfs/dbraw/zinc/30/51/26/379305126.db2.gz WFGDDBGBXAJJLY-KGLIPLIRSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1CO ZINC000621815510 379355731 /nfs/dbraw/zinc/35/57/31/379355731.db2.gz IATDKJFCVUTJJS-GJZGRUSLSA-N 1 3 342.484 -0.585 20 0 EBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269297654 379359093 /nfs/dbraw/zinc/35/90/93/379359093.db2.gz ORSLKOYNAYIXQQ-JKSUJKDBSA-N 1 3 333.436 -0.567 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622027454 379397878 /nfs/dbraw/zinc/39/78/78/379397878.db2.gz CLHRASCEMIIOFL-RHSMWYFYSA-N 1 3 339.484 -0.722 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000627400198 379583303 /nfs/dbraw/zinc/58/33/03/379583303.db2.gz MHJRWTCPGAZPHH-UHFFFAOYSA-N 1 3 326.441 -0.445 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627429024 379596077 /nfs/dbraw/zinc/59/60/77/379596077.db2.gz VGFQEVXFHXXQBE-AWEZNQCLSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000642084343 379565038 /nfs/dbraw/zinc/56/50/38/379565038.db2.gz CTYOEAKTNIHCEI-ZIAGYGMSSA-N 1 3 340.468 -0.058 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000627488861 379639175 /nfs/dbraw/zinc/63/91/75/379639175.db2.gz KTCFQMAWSHXTGU-UHFFFAOYSA-N 1 3 335.408 -0.788 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627499695 379643747 /nfs/dbraw/zinc/64/37/47/379643747.db2.gz WIAGISNCHBMTGP-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000627499717 379643831 /nfs/dbraw/zinc/64/38/31/379643831.db2.gz YDBZKQYWAAEVIW-RRFJBIMHSA-N 1 3 337.468 -0.909 20 0 EBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627456062 379607899 /nfs/dbraw/zinc/60/78/99/379607899.db2.gz XRTHDLCIXFUNTN-ZDUSSCGKSA-N 1 3 326.441 -0.448 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000627462647 379612096 /nfs/dbraw/zinc/61/20/96/379612096.db2.gz ZJLLIBJILPZWGH-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000627463142 379612324 /nfs/dbraw/zinc/61/23/24/379612324.db2.gz OVYGKWVHFNMVST-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)N(C)C)O1)[NH+](C)C ZINC000495014167 379701874 /nfs/dbraw/zinc/70/18/74/379701874.db2.gz BVWBNCJDWGTBBD-LVEBTZEWSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)O1)N(C)C ZINC000495014167 379701875 /nfs/dbraw/zinc/70/18/75/379701875.db2.gz BVWBNCJDWGTBBD-LVEBTZEWSA-N 1 3 328.457 -0.333 20 0 EBADHO CN(C)CCCS(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631936002 379786229 /nfs/dbraw/zinc/78/62/29/379786229.db2.gz QEUCBQUKEQKTFP-NSHDSACASA-N 1 3 346.419 -0.306 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627215046 379840654 /nfs/dbraw/zinc/84/06/54/379840654.db2.gz FRJUYDCWQXUTBL-AWEZNQCLSA-N 1 3 341.456 -0.700 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCC[C@H](C)C1 ZINC000627485149 379904022 /nfs/dbraw/zinc/90/40/22/379904022.db2.gz SZVQBRCEDNPCAV-UONOGXRCSA-N 1 3 328.457 -0.295 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633625601 379966489 /nfs/dbraw/zinc/96/64/89/379966489.db2.gz GSQJDYPPQYDURX-UHFFFAOYSA-N 1 3 338.456 -0.463 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638112058 380159853 /nfs/dbraw/zinc/15/98/53/380159853.db2.gz JILVOFQFOPIKKV-QGZVFWFLSA-N 1 3 340.468 -0.199 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](CN)C1 ZINC000564787703 380379394 /nfs/dbraw/zinc/37/93/94/380379394.db2.gz UKNMPPYVBQGXMV-AWEZNQCLSA-N 1 3 339.484 -0.532 20 0 EBADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240574 380409902 /nfs/dbraw/zinc/40/99/02/380409902.db2.gz YQHNLYHWUWOAPR-AEGPPILISA-N 1 3 341.415 -0.192 20 0 EBADHO CN(C)C(=O)CCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000362565506 380411190 /nfs/dbraw/zinc/41/11/90/380411190.db2.gz BQIZSSIIPYXCTL-CYBMUJFWSA-N 1 3 348.451 -0.277 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340482306 380511616 /nfs/dbraw/zinc/51/16/16/380511616.db2.gz FPPROKSYLVYYMF-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340482306 380511622 /nfs/dbraw/zinc/51/16/22/380511622.db2.gz FPPROKSYLVYYMF-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340489674 380516758 /nfs/dbraw/zinc/51/67/58/380516758.db2.gz ZELLWTFVLFXTTK-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340489674 380516769 /nfs/dbraw/zinc/51/67/69/380516769.db2.gz ZELLWTFVLFXTTK-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566511732 380479961 /nfs/dbraw/zinc/47/99/61/380479961.db2.gz AWGAKHNUJHBOFK-UONOGXRCSA-N 1 3 341.456 -0.702 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109014 380573649 /nfs/dbraw/zinc/57/36/49/380573649.db2.gz WKJCODWJQGRFOU-HDMKZQKVSA-N 1 3 328.416 -0.312 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534909 380608310 /nfs/dbraw/zinc/60/83/10/380608310.db2.gz LEOYVZZCNFCDBW-HUUCEWRRSA-N 1 3 335.452 -0.186 20 0 EBADHO COC[C@@]1(CNC(=O)N(CCN(C)C)CCN(C)C)CCC[NH2+]1 ZINC000568975565 380623257 /nfs/dbraw/zinc/62/32/57/380623257.db2.gz KTGVGUILURPPAI-INIZCTEOSA-N 1 3 329.489 -0.110 20 0 EBADHO C[C@H]1CN(CCC[NH2+]C[C@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795072 380686803 /nfs/dbraw/zinc/68/68/03/380686803.db2.gz KSVAVMDFYPVFDP-IRXDYDNUSA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@H]1C[N@H+](CCCNC[C@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795072 380686807 /nfs/dbraw/zinc/68/68/07/380686807.db2.gz KSVAVMDFYPVFDP-IRXDYDNUSA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795072 380686812 /nfs/dbraw/zinc/68/68/12/380686812.db2.gz KSVAVMDFYPVFDP-IRXDYDNUSA-N 1 3 328.501 -0.315 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](C(C)C)CC2)n1 ZINC000341393758 380695370 /nfs/dbraw/zinc/69/53/70/380695370.db2.gz WNNQWUOJBRZUNM-UHFFFAOYSA-N 1 3 337.472 -0.354 20 0 EBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000575195940 380734356 /nfs/dbraw/zinc/73/43/56/380734356.db2.gz AIZFTDCGONDNEC-KFWWJZLASA-N 1 3 338.452 -0.450 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417432137 380886582 /nfs/dbraw/zinc/88/65/82/380886582.db2.gz SHHYYVKUYCWQPQ-KBPBESRZSA-N 1 3 325.457 -0.020 20 0 EBADHO C[C@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCN1 ZINC000417435798 380891131 /nfs/dbraw/zinc/89/11/31/380891131.db2.gz ZHAZSDUMZCIRBS-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCN1 ZINC000417435798 380891133 /nfs/dbraw/zinc/89/11/33/380891133.db2.gz ZHAZSDUMZCIRBS-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCN1 ZINC000417435798 380891136 /nfs/dbraw/zinc/89/11/36/380891136.db2.gz ZHAZSDUMZCIRBS-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000642439963 381094235 /nfs/dbraw/zinc/09/42/35/381094235.db2.gz UAPBBXLPXPLJBG-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)ccn1 ZINC000584731852 381205430 /nfs/dbraw/zinc/20/54/30/381205430.db2.gz UXPSJSOUELNWBS-ZDUSSCGKSA-N 1 3 335.408 -0.884 20 0 EBADHO COC[C@]1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCC[NH2+]1 ZINC000418640991 381253598 /nfs/dbraw/zinc/25/35/98/381253598.db2.gz RMCWAFQVGCUTAS-GOEBONIOSA-N 1 3 328.457 -0.099 20 0 EBADHO O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757156 381261497 /nfs/dbraw/zinc/26/14/97/381261497.db2.gz DJWRYHHSRWMPEL-ULQDDVLXSA-N 1 3 348.447 -0.091 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418760233 381263881 /nfs/dbraw/zinc/26/38/81/381263881.db2.gz JWKIRLTXNJAJOV-HUUCEWRRSA-N 1 3 327.473 -0.718 20 0 EBADHO CCC[NH2+]CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418478879 381241622 /nfs/dbraw/zinc/24/16/22/381241622.db2.gz XUVJJHOHULCYNM-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO COCC[NH2+]CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418497949 381243825 /nfs/dbraw/zinc/24/38/25/381243825.db2.gz KWAZPELLHLYHKN-AWEZNQCLSA-N 1 3 341.456 -0.830 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418828148 381287270 /nfs/dbraw/zinc/28/72/70/381287270.db2.gz FJEZTUAGVVTQAD-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000418833979 381289151 /nfs/dbraw/zinc/28/91/51/381289151.db2.gz LLWFZVNYQSJKMI-UONOGXRCSA-N 1 3 340.468 -0.058 20 0 EBADHO [NH3+]CCNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418791160 381274254 /nfs/dbraw/zinc/27/42/54/381274254.db2.gz YIOIHVNDFQSYFQ-UHFFFAOYSA-N 1 3 347.463 -0.220 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000418881648 381330628 /nfs/dbraw/zinc/33/06/28/381330628.db2.gz XTBKAQIHDVUENY-AAEUAGOBSA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419025774 381355687 /nfs/dbraw/zinc/35/56/87/381355687.db2.gz MWORHTXDABEDKU-ILXRZTDVSA-N 1 3 340.468 -0.282 20 0 EBADHO NCCN(CCO)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000418993679 381359764 /nfs/dbraw/zinc/35/97/64/381359764.db2.gz AUCVKSPGWXGTTE-UHFFFAOYSA-N 1 3 348.447 -0.322 20 0 EBADHO CN(C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419231534 381407511 /nfs/dbraw/zinc/40/75/11/381407511.db2.gz SBHQDLCUKCXFGB-KKUMJFAQSA-N 1 3 338.452 -0.842 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419413121 381431294 /nfs/dbraw/zinc/43/12/94/381431294.db2.gz RRJNCTNXZSUHBX-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419456376 381441779 /nfs/dbraw/zinc/44/17/79/381441779.db2.gz ZSUREPHMQUVSJP-QWHCGFSZSA-N 1 3 344.456 -0.700 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419456376 381441785 /nfs/dbraw/zinc/44/17/85/381441785.db2.gz ZSUREPHMQUVSJP-QWHCGFSZSA-N 1 3 344.456 -0.700 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419456376 381441789 /nfs/dbraw/zinc/44/17/89/381441789.db2.gz ZSUREPHMQUVSJP-QWHCGFSZSA-N 1 3 344.456 -0.700 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C1CC1 ZINC000419520907 381443560 /nfs/dbraw/zinc/44/35/60/381443560.db2.gz ISLPCJJAOQYWPB-YPMHNXCESA-N 1 3 326.441 -0.184 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C1CC1 ZINC000419520907 381443564 /nfs/dbraw/zinc/44/35/64/381443564.db2.gz ISLPCJJAOQYWPB-YPMHNXCESA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H]1C[NH3+] ZINC000419590181 381459669 /nfs/dbraw/zinc/45/96/69/381459669.db2.gz SZHWYAMFUHTTQM-WWGRRREGSA-N 1 3 342.509 -0.017 20 0 EBADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1CNCCO1)C(C)C ZINC000419662139 381465696 /nfs/dbraw/zinc/46/56/96/381465696.db2.gz GXTLVDIJYNHNEW-CQSZACIVSA-N 1 3 328.457 -0.284 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000419867186 381513764 /nfs/dbraw/zinc/51/37/64/381513764.db2.gz CIMJOMVRMSHTLK-UHFFFAOYSA-N 1 3 336.436 -0.079 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417885221 381492536 /nfs/dbraw/zinc/49/25/36/381492536.db2.gz YAOIXASPUVOWDK-IPYPFGDCSA-N 1 3 337.468 -0.034 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092990 381537907 /nfs/dbraw/zinc/53/79/07/381537907.db2.gz PALLSGLHBKJEPD-CYBMUJFWSA-N 1 3 326.441 -0.447 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420098644 381540796 /nfs/dbraw/zinc/54/07/96/381540796.db2.gz AZJZKBYFRJQVNS-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028587 381532658 /nfs/dbraw/zinc/53/26/58/381532658.db2.gz DWQQDGLZUDYDCS-CHWSQXEVSA-N 1 3 326.441 -0.230 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000420248356 381573951 /nfs/dbraw/zinc/57/39/51/381573951.db2.gz IBWHPPPIENVROC-MRXNPFEDSA-N 1 3 335.456 -0.480 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH2+]CCOC ZINC000420180845 381562221 /nfs/dbraw/zinc/56/22/21/381562221.db2.gz HOFFCEQXQRNPED-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000420445396 381587270 /nfs/dbraw/zinc/58/72/70/381587270.db2.gz ADJCXTBTWNXIQL-CQSZACIVSA-N 1 3 326.466 -0.070 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000571746916 381617483 /nfs/dbraw/zinc/61/74/83/381617483.db2.gz VWIHIZWNWFWRAN-QGZVFWFLSA-N 1 3 341.500 -0.556 20 0 EBADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000572258124 381654828 /nfs/dbraw/zinc/65/48/28/381654828.db2.gz KJHHARLWWAHRHC-INIZCTEOSA-N 1 3 330.432 -0.150 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351676598 381661958 /nfs/dbraw/zinc/66/19/58/381661958.db2.gz UTDXPGBNPPOTEL-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000572228467 381652031 /nfs/dbraw/zinc/65/20/31/381652031.db2.gz XKIJWRHIVHUCEN-GJZGRUSLSA-N 1 3 341.500 -0.558 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331642099 381719067 /nfs/dbraw/zinc/71/90/67/381719067.db2.gz NGGYJJUXQFFETP-XDQVBPFNSA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000331642099 381719073 /nfs/dbraw/zinc/71/90/73/381719073.db2.gz NGGYJJUXQFFETP-XDQVBPFNSA-N 1 3 338.452 -0.089 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643500356 381906846 /nfs/dbraw/zinc/90/68/46/381906846.db2.gz IRUQDBOZHSQERS-UONOGXRCSA-N 1 3 326.441 -0.496 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CCN(C)C)CC[C@H]1[NH3+] ZINC000643511241 381962624 /nfs/dbraw/zinc/96/26/24/381962624.db2.gz ZJJBCANNYKGLRG-ZIAGYGMSSA-N 1 3 328.457 -0.391 20 0 EBADHO C[C@H](C[NH+](C)C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000353323799 382138085 /nfs/dbraw/zinc/13/80/85/382138085.db2.gz DSQFKEQAHHCUEL-OAHLLOKOSA-N 1 3 329.489 -0.374 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)CC ZINC000340135396 285243623 /nfs/dbraw/zinc/24/36/23/285243623.db2.gz RLOOFKMJVJGQLB-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)CC ZINC000340135396 285243624 /nfs/dbraw/zinc/24/36/24/285243624.db2.gz RLOOFKMJVJGQLB-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CN(C)Cc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000261727815 154197439 /nfs/dbraw/zinc/19/74/39/154197439.db2.gz RXHFAMSTFKDOPZ-UHFFFAOYSA-N 1 3 326.466 -0.068 20 0 EBADHO O=C(CCN1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCNCC1 ZINC000261990724 154207656 /nfs/dbraw/zinc/20/76/56/154207656.db2.gz CVGQXYJEFDMZKA-UHFFFAOYSA-N 1 3 337.468 -0.952 20 0 EBADHO COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000343016827 156086100 /nfs/dbraw/zinc/08/61/00/156086100.db2.gz XIWHEESPOBRRJW-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1)C1CC1 ZINC000343298505 156122807 /nfs/dbraw/zinc/12/28/07/156122807.db2.gz GOSTZHPJIBHZGB-UHFFFAOYSA-N 1 3 326.441 -0.983 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000343636136 156149310 /nfs/dbraw/zinc/14/93/10/156149310.db2.gz HZXHTPHTJIAYMS-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CCCN(C)CC(=O)N1CCC[C@@H](C(N)=O)C1)CC[NH+](C)C ZINC000344033894 156199387 /nfs/dbraw/zinc/19/93/87/156199387.db2.gz GBFVCOWFVHLBMJ-OAHLLOKOSA-N 1 3 341.500 -0.474 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344644671 156251991 /nfs/dbraw/zinc/25/19/91/156251991.db2.gz WMGLKDHNIGYFRQ-UHFFFAOYSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000518332508 419023450 /nfs/dbraw/zinc/02/34/50/419023450.db2.gz PDDMKYHXZWDINM-CABCVRRESA-N 1 3 342.484 -0.442 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1csc(CC[NH3+])n1 ZINC000662875582 419003913 /nfs/dbraw/zinc/00/39/13/419003913.db2.gz WBGVXBOOEPIGLV-UHFFFAOYSA-N 1 3 327.454 -0.264 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000644124061 419102877 /nfs/dbraw/zinc/10/28/77/419102877.db2.gz OJABCXXLPUCGRP-KGLIPLIRSA-N 1 3 326.441 -0.399 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cn1 ZINC000655448915 419055396 /nfs/dbraw/zinc/05/53/96/419055396.db2.gz ABMPNXOVVXNTDW-PBHICJAKSA-N 1 3 348.451 -0.111 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652434129 419235859 /nfs/dbraw/zinc/23/58/59/419235859.db2.gz RSHWHMNRXVOEMV-UHFFFAOYSA-N 1 3 342.484 -0.033 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000652731244 419331517 /nfs/dbraw/zinc/33/15/17/419331517.db2.gz FLFCDWQTSDHQRT-AWEZNQCLSA-N 1 3 325.457 -0.968 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@H]1C[NH3+] ZINC000652736711 419351690 /nfs/dbraw/zinc/35/16/90/419351690.db2.gz NDZDPHFLLXKWET-HUUCEWRRSA-N 1 3 340.468 -0.247 20 0 EBADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519140530 419517728 /nfs/dbraw/zinc/51/77/28/419517728.db2.gz MFDMUABBFZTTJE-VBQJREDUSA-N 1 3 338.452 -0.482 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)CCO1 ZINC000659716759 419786621 /nfs/dbraw/zinc/78/66/21/419786621.db2.gz CKWPXZXFXHINEE-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000659740639 419805332 /nfs/dbraw/zinc/80/53/32/419805332.db2.gz JHJOIPGPRSYMPI-KKUMJFAQSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420024577 419840904 /nfs/dbraw/zinc/84/09/04/419840904.db2.gz AOQIRGQSTPPYEA-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000423259529 419926706 /nfs/dbraw/zinc/92/67/06/419926706.db2.gz FFEZAJGUANVAEN-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423260650 419927441 /nfs/dbraw/zinc/92/74/41/419927441.db2.gz HWKPBGUTORGLDR-KBPBESRZSA-N 1 3 326.441 -0.909 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516492537 420512255 /nfs/dbraw/zinc/51/22/55/420512255.db2.gz MROWEUNYAWYLLY-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNS(C)(=O)=O ZINC000523009414 420724958 /nfs/dbraw/zinc/72/49/58/420724958.db2.gz AOSCGPJZCJRAGH-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNS(C)(=O)=O ZINC000523009414 420724961 /nfs/dbraw/zinc/72/49/61/420724961.db2.gz AOSCGPJZCJRAGH-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CN(C)NC3=O)CC2)CC1 ZINC000654982721 420847386 /nfs/dbraw/zinc/84/73/86/420847386.db2.gz BFEQAZMWANIPRG-OAHLLOKOSA-N 1 3 337.468 -0.356 20 0 EBADHO Cn1c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000530241853 420780761 /nfs/dbraw/zinc/78/07/61/420780761.db2.gz RGJGVVREOZRSGY-HNNXBMFYSA-N 1 3 336.436 -0.326 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)CCN1C(=O)CN(C)C1=O ZINC000660139163 420788077 /nfs/dbraw/zinc/78/80/77/420788077.db2.gz MBNVSXCUIJDAOC-UHFFFAOYSA-N 1 3 325.457 -0.162 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649320029 420799339 /nfs/dbraw/zinc/79/93/39/420799339.db2.gz JHNRPWOSORIWFG-UHFFFAOYSA-N 1 3 326.441 -0.623 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000658779923 420838926 /nfs/dbraw/zinc/83/89/26/420838926.db2.gz UEJSDXVENHXOTB-ZDUSSCGKSA-N 1 3 336.440 -0.016 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000655161055 420855640 /nfs/dbraw/zinc/85/56/40/420855640.db2.gz VXZORKRFQMPDJX-ZDUSSCGKSA-N 1 3 336.440 -0.363 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022482 420866755 /nfs/dbraw/zinc/86/67/55/420866755.db2.gz HHOYTDDVVMDEKD-NDBYEHHHSA-N 1 3 326.441 -0.328 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656025308 420867037 /nfs/dbraw/zinc/86/70/37/420867037.db2.gz GQTWCVMXLJSUIE-ZNMIVQPWSA-N 1 3 338.452 -0.386 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656069598 420873197 /nfs/dbraw/zinc/87/31/97/420873197.db2.gz HTXUWMRGSLRRRU-OKILXGFUSA-N 1 3 328.457 -0.521 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000658537925 420960019 /nfs/dbraw/zinc/96/00/19/420960019.db2.gz YZRGHROIBRXSSX-GJZGRUSLSA-N 1 3 340.468 -0.567 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659617208 421007552 /nfs/dbraw/zinc/00/75/52/421007552.db2.gz OLDVDYBJSNLYFW-XOYHFGRZSA-N 1 3 335.452 -0.314 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCCO1 ZINC000659676163 421012680 /nfs/dbraw/zinc/01/26/80/421012680.db2.gz FNQBHSYNIPIVOQ-CYBMUJFWSA-N 1 3 328.457 -0.201 20 0 EBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000659715097 421019532 /nfs/dbraw/zinc/01/95/32/421019532.db2.gz RCWHJRADKNZICE-UHFFFAOYSA-N 1 3 331.420 -0.502 20 0 EBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659719562 421021897 /nfs/dbraw/zinc/02/18/97/421021897.db2.gz WNBHTNOVMTWIJI-HUUCEWRRSA-N 1 3 340.468 -0.155 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659738194 421023789 /nfs/dbraw/zinc/02/37/89/421023789.db2.gz BIZXNANKZNINOV-HUUCEWRRSA-N 1 3 340.468 -0.155 20 0 EBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ccncc2)CC1 ZINC000659741924 421025707 /nfs/dbraw/zinc/02/57/07/421025707.db2.gz XSXCQGMBRBDXSY-UHFFFAOYSA-N 1 3 329.404 -0.402 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000659752210 421030056 /nfs/dbraw/zinc/03/00/56/421030056.db2.gz YMAKLEASQQIEFT-AWEZNQCLSA-N 1 3 339.484 -0.804 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662724363 421096906 /nfs/dbraw/zinc/09/69/06/421096906.db2.gz OEIZDFVDNXSFRR-HZPDHXFCSA-N 1 3 348.447 -0.042 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662709299 421097697 /nfs/dbraw/zinc/09/76/97/421097697.db2.gz AMQMCCHOAIADNP-MELADBBJSA-N 1 3 326.441 -0.591 20 0 EBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000662922573 421109889 /nfs/dbraw/zinc/10/98/89/421109889.db2.gz KFNBNLZFERZJGR-UHFFFAOYSA-N 1 3 329.404 -0.320 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662932600 421112502 /nfs/dbraw/zinc/11/25/02/421112502.db2.gz MDTIRHXFVPPQDE-UHFFFAOYSA-N 1 3 337.468 -0.968 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@@H]1O ZINC000664473634 421156824 /nfs/dbraw/zinc/15/68/24/421156824.db2.gz TZYWQXPVSCTTAI-JONQDZQNSA-N 1 3 340.468 -0.320 20 0 EBADHO CN(c1cc(=O)n(C)c(=O)n1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000663594611 421135166 /nfs/dbraw/zinc/13/51/66/421135166.db2.gz ZGPXMWBCFUOGSL-CQSZACIVSA-N 1 3 335.452 -0.311 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000626850299 421192067 /nfs/dbraw/zinc/19/20/67/421192067.db2.gz CRCCRZJUDXGIJD-GFCCVEGCSA-N 1 3 334.424 -0.216 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420015168 264913951 /nfs/dbraw/zinc/91/39/51/264913951.db2.gz POZIZMJZCBGGCA-MGPQQGTHSA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423654886 265027072 /nfs/dbraw/zinc/02/70/72/265027072.db2.gz RJICCOPESSKILB-LSDHHAIUSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423654886 265027074 /nfs/dbraw/zinc/02/70/74/265027074.db2.gz RJICCOPESSKILB-LSDHHAIUSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423654886 265027076 /nfs/dbraw/zinc/02/70/76/265027076.db2.gz RJICCOPESSKILB-LSDHHAIUSA-N 1 3 341.500 -0.463 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000423984077 265044885 /nfs/dbraw/zinc/04/48/85/265044885.db2.gz BIAMUQSFKUFIQZ-ZNMIVQPWSA-N 1 3 338.452 -0.576 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000423984077 265044887 /nfs/dbraw/zinc/04/48/87/265044887.db2.gz BIAMUQSFKUFIQZ-ZNMIVQPWSA-N 1 3 338.452 -0.576 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1=O ZINC000425307668 265092094 /nfs/dbraw/zinc/09/20/94/265092094.db2.gz BIQLCKBWRRUXQG-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)CCCO1 ZINC000433459346 265190471 /nfs/dbraw/zinc/19/04/71/265190471.db2.gz XNMKPZOUVGXZAT-HOCLYGCPSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)CCCO1 ZINC000433459346 265190472 /nfs/dbraw/zinc/19/04/72/265190472.db2.gz XNMKPZOUVGXZAT-HOCLYGCPSA-N 1 3 328.457 -0.147 20 0 EBADHO CN(CCCN(C)CC1(O)CCS(=O)(=O)CC1)CC[NH+](C)C ZINC000344015946 289132228 /nfs/dbraw/zinc/13/22/28/289132228.db2.gz DHGSMCLSSCZKBU-UHFFFAOYSA-N 1 3 335.514 -0.259 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668672402 545732901 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CN1CCC[C@H](N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)C1 ZINC000682613223 546336963 /nfs/dbraw/zinc/33/69/63/546336963.db2.gz GUSFCWKGUJLORE-INIZCTEOSA-N 1 3 341.500 -0.014 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892687346 582585777 /nfs/dbraw/zinc/58/57/77/582585777.db2.gz KFAYRYZIPNNQLW-GJZGRUSLSA-N 1 3 328.457 -0.195 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892687346 582585780 /nfs/dbraw/zinc/58/57/80/582585780.db2.gz KFAYRYZIPNNQLW-GJZGRUSLSA-N 1 3 328.457 -0.195 20 0 EBADHO CN1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](CN)C1 ZINC000892754518 582586745 /nfs/dbraw/zinc/58/67/45/582586745.db2.gz ARIVTBBLKVVOBW-UONOGXRCSA-N 1 3 325.457 -0.571 20 0 EBADHO CN1CCC(O)(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892776652 582587852 /nfs/dbraw/zinc/58/78/52/582587852.db2.gz HGKOIFCJGYZVMD-CQSZACIVSA-N 1 3 340.468 -0.099 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000892819885 582588088 /nfs/dbraw/zinc/58/80/88/582588088.db2.gz TUGFXBKAIPMUGO-HOTGVXAUSA-N 1 3 339.484 -0.262 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000892819885 582588091 /nfs/dbraw/zinc/58/80/91/582588091.db2.gz TUGFXBKAIPMUGO-HOTGVXAUSA-N 1 3 339.484 -0.262 20 0 EBADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCC[N@H+](C)CCO)cc21 ZINC000899740543 582755423 /nfs/dbraw/zinc/75/54/23/582755423.db2.gz MEBHYLUTCFOGDH-UHFFFAOYSA-N 1 3 349.435 -0.043 20 0 EBADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCC[N@@H+](C)CCO)cc21 ZINC000899740543 582755425 /nfs/dbraw/zinc/75/54/25/582755425.db2.gz MEBHYLUTCFOGDH-UHFFFAOYSA-N 1 3 349.435 -0.043 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733660 582755629 /nfs/dbraw/zinc/75/56/29/582755629.db2.gz HAAYTUMUJXCULO-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733660 582755631 /nfs/dbraw/zinc/75/56/31/582755631.db2.gz HAAYTUMUJXCULO-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCO[C@@H](C)C1)C2 ZINC000903492745 582809662 /nfs/dbraw/zinc/80/96/62/582809662.db2.gz RWBPQXNRDJJEJJ-JFILPPLUSA-N 1 3 325.409 -0.554 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903768120 582818117 /nfs/dbraw/zinc/81/81/17/582818117.db2.gz SBCPRTFCIXEQDE-GMTAPVOTSA-N 1 3 336.358 -0.113 20 0 EBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793797164 583570131 /nfs/dbraw/zinc/57/01/31/583570131.db2.gz YSHQCGHIOVIWPC-KKUMJFAQSA-N 1 3 340.468 -0.188 20 0 EBADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000807776580 583663111 /nfs/dbraw/zinc/66/31/11/583663111.db2.gz DSIKDEKNIHCDFJ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000807776580 583663114 /nfs/dbraw/zinc/66/31/14/583663114.db2.gz DSIKDEKNIHCDFJ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000817813534 583729856 /nfs/dbraw/zinc/72/98/56/583729856.db2.gz HYYXFBVJDPYKCP-SOUVJXGZSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000817813534 583729858 /nfs/dbraw/zinc/72/98/58/583729858.db2.gz HYYXFBVJDPYKCP-SOUVJXGZSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000823562329 583833656 /nfs/dbraw/zinc/83/36/56/583833656.db2.gz SPSPQKGBMSTGIG-CYBMUJFWSA-N 1 3 326.441 -0.324 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000823562343 583833693 /nfs/dbraw/zinc/83/36/93/583833693.db2.gz SPSPQKGBMSTGIG-ZDUSSCGKSA-N 1 3 326.441 -0.324 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181497 584090217 /nfs/dbraw/zinc/09/02/17/584090217.db2.gz SHZFORZLUOBEGY-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCn3cnnn3)CC2)CC1 ZINC000847572720 584142620 /nfs/dbraw/zinc/14/26/20/584142620.db2.gz QELUZGNNMFWGAX-UHFFFAOYSA-N 1 3 335.456 -0.014 20 0 EBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000848933175 584163773 /nfs/dbraw/zinc/16/37/73/584163773.db2.gz ZYRUMXAQULLEAF-XQLPTFJDSA-N 1 3 338.452 -0.578 20 0 EBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000848933174 584163869 /nfs/dbraw/zinc/16/38/69/584163869.db2.gz ZYRUMXAQULLEAF-KBXIAJHMSA-N 1 3 338.452 -0.578 20 0 EBADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073801 584165693 /nfs/dbraw/zinc/16/56/93/584165693.db2.gz DXOZPZHDFNZGLL-HUUCEWRRSA-N 1 3 345.451 -0.014 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000854052348 584234642 /nfs/dbraw/zinc/23/46/42/584234642.db2.gz WSWLZYHWYWPRRN-RYUDHWBXSA-N 1 3 342.444 -0.812 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000854052348 584234644 /nfs/dbraw/zinc/23/46/44/584234644.db2.gz WSWLZYHWYWPRRN-RYUDHWBXSA-N 1 3 342.444 -0.812 20 0 EBADHO C[C@@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N(C)C ZINC000861636068 584332167 /nfs/dbraw/zinc/33/21/67/584332167.db2.gz DCZRLGSJXFKPSU-YUTCNCBUSA-N 1 3 339.440 -0.097 20 0 EBADHO CN(C)C[C@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876918732 584526919 /nfs/dbraw/zinc/52/69/19/584526919.db2.gz MRLIJHQQRKLHKZ-AWEZNQCLSA-N 1 3 335.452 -0.202 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCOCC[NH+](C)C ZINC000888858491 584571772 /nfs/dbraw/zinc/57/17/72/584571772.db2.gz RFBDCLGARYVQRP-CYBMUJFWSA-N 1 3 329.445 -0.674 20 0 EBADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884516541 584625339 /nfs/dbraw/zinc/62/53/39/584625339.db2.gz NBIUCEFFQGYKSP-KKUMJFAQSA-N 1 3 336.436 -0.681 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000884516684 584625603 /nfs/dbraw/zinc/62/56/03/584625603.db2.gz QULJBTRKBHVVIC-ZIAGYGMSSA-N 1 3 339.484 -0.818 20 0 EBADHO CCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)[C@H]1CC[NH2+]C1 ZINC000884612327 584629913 /nfs/dbraw/zinc/62/99/13/584629913.db2.gz JKSBCTGJQPTGRC-SWLSCSKDSA-N 1 3 328.482 -0.250 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCSC1 ZINC000884612648 584629939 /nfs/dbraw/zinc/62/99/39/584629939.db2.gz QOFLETHSAMIAEW-XEZPLFJOSA-N 1 3 340.493 -0.107 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884662018 584632252 /nfs/dbraw/zinc/63/22/52/584632252.db2.gz FLZWIIWNZTWRTM-UHFFFAOYSA-N 1 3 326.441 -0.575 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884656479 584632260 /nfs/dbraw/zinc/63/22/60/584632260.db2.gz IVXBAKIUVKXKBD-STQMWFEESA-N 1 3 338.452 -0.435 20 0 EBADHO CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884669706 584632478 /nfs/dbraw/zinc/63/24/78/584632478.db2.gz DOQLAANGJRNTBE-HUUCEWRRSA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884675247 584632993 /nfs/dbraw/zinc/63/29/93/584632993.db2.gz XCKGDMNYLDWMJK-KBPBESRZSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000884726619 584636557 /nfs/dbraw/zinc/63/65/57/584636557.db2.gz XWGOSZZXSORHHC-UKRRQHHQSA-N 1 3 347.419 -0.777 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H](CN)C1 ZINC000884985868 584642170 /nfs/dbraw/zinc/64/21/70/584642170.db2.gz CJDOHBKHHZHRJC-UUCFBXCCSA-N 1 3 339.484 -0.533 20 0 EBADHO CCN(C(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000887066696 584674599 /nfs/dbraw/zinc/67/45/99/584674599.db2.gz RLJLAYNHCCVFIT-HNNXBMFYSA-N 1 3 331.420 -0.059 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCNCCNCC1)[NH+]1CCCCC1 ZINC000910957502 650142028 /nfs/dbraw/zinc/14/20/28/650142028.db2.gz KTOWGWHUGOSWQF-UHFFFAOYSA-N 1 3 339.484 -0.612 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)N1CCCCC1 ZINC000910957352 650142030 /nfs/dbraw/zinc/14/20/30/650142030.db2.gz KHDHFWUUTYPDGO-KRWDZBQOSA-N 1 3 340.468 -0.321 20 0 EBADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911066617 650148438 /nfs/dbraw/zinc/14/84/38/650148438.db2.gz KOGZFLQMQAVYQC-UHFFFAOYSA-N 1 3 339.484 -0.756 20 0 EBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCNCCNCC1)C(C)(C)C ZINC000911076473 650149075 /nfs/dbraw/zinc/14/90/75/650149075.db2.gz HBXGRAAILSKOBS-AWEZNQCLSA-N 1 3 341.500 -0.510 20 0 EBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000911147154 650154459 /nfs/dbraw/zinc/15/44/59/650154459.db2.gz OLRDWQBRAZKFOR-JSGCOSHPSA-N 1 3 337.468 -0.733 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[C@@H]1C[NH3+] ZINC000911148898 650154890 /nfs/dbraw/zinc/15/48/90/650154890.db2.gz SOUAKTLUZCIIAX-KBUPBQIOSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911162422 650155513 /nfs/dbraw/zinc/15/55/13/650155513.db2.gz RDWDWUUNQIEDFQ-CQSZACIVSA-N 1 3 340.468 -0.199 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911177768 650157110 /nfs/dbraw/zinc/15/71/10/650157110.db2.gz VMBRQYZSAJWEGH-UONOGXRCSA-N 1 3 326.441 -0.861 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911174295 650157333 /nfs/dbraw/zinc/15/73/33/650157333.db2.gz CQICKRUNRBDARW-CZUORRHYSA-N 1 3 326.441 -0.589 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CCSC1 ZINC000911199069 650159042 /nfs/dbraw/zinc/15/90/42/650159042.db2.gz JUSQNYYIXYYRRM-KCXAZCMYSA-N 1 3 340.493 -0.120 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911415459 650180936 /nfs/dbraw/zinc/18/09/36/650180936.db2.gz XAIOOJKMGZJCBS-UHFFFAOYSA-N 1 3 325.457 -0.920 20 0 EBADHO N[C@H]1CCc2cc(C(=O)NCCN3CC[NH2+]CC3)ccc2NC1=O ZINC000911693499 650195560 /nfs/dbraw/zinc/19/55/60/650195560.db2.gz KIJXFKDGOUSVJV-AWEZNQCLSA-N 1 3 331.420 -0.466 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCOC[C@H]3CO)CC2)CC1 ZINC000915493535 650269646 /nfs/dbraw/zinc/26/96/46/650269646.db2.gz WVLAPAPSVKSGTL-MRXNPFEDSA-N 1 3 340.468 -0.052 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H](O)COC1CCOCC1 ZINC000923343050 650338066 /nfs/dbraw/zinc/33/80/66/650338066.db2.gz BFYDSCFXGQJOIQ-HUUCEWRRSA-N 1 3 343.468 -0.138 20 0 EBADHO CC(C)COC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416533 650339414 /nfs/dbraw/zinc/33/94/14/650339414.db2.gz YOGMOVMRUAHJGV-TUVASFSCSA-N 1 3 327.425 -0.113 20 0 EBADHO COC[C@H](C)OC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416261 650339508 /nfs/dbraw/zinc/33/95/08/650339508.db2.gz VACQPBAIVGZNGY-AHDPXTMNSA-N 1 3 343.424 -0.734 20 0 EBADHO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)N1CCNCC1 ZINC000923602188 650346668 /nfs/dbraw/zinc/34/66/68/650346668.db2.gz GJFKUYZBZJLBKB-UHFFFAOYSA-N 1 3 342.465 -0.133 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923626275 650349362 /nfs/dbraw/zinc/34/93/62/650349362.db2.gz NMZAYUXIHRYWOC-CQSZACIVSA-N 1 3 334.486 -0.431 20 0 EBADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923645491 650350525 /nfs/dbraw/zinc/35/05/25/650350525.db2.gz HFTVSQCTCJHEPI-KGLIPLIRSA-N 1 3 332.470 -0.645 20 0 EBADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)N2CCNCC2)C1 ZINC000923652266 650350799 /nfs/dbraw/zinc/35/07/99/650350799.db2.gz KLTJVTAQVZTWMR-HZSPNIEDSA-N 1 3 332.470 -0.503 20 0 EBADHO Cn1ccnc1CN([C@@H]1CC12CC[NH2+]CC2)S(=O)(=O)C1CNC1 ZINC000923660206 650351544 /nfs/dbraw/zinc/35/15/44/650351544.db2.gz VKZBRGIDQFRXME-CYBMUJFWSA-N 1 3 339.465 -0.334 20 0 EBADHO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000926334354 650386503 /nfs/dbraw/zinc/38/65/03/650386503.db2.gz TZOLLPVRKCRRIK-PBHICJAKSA-N 1 3 338.452 -0.615 20 0 EBADHO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000926334372 650386813 /nfs/dbraw/zinc/38/68/13/650386813.db2.gz TZOLLPVRKCRRIK-WMLDXEAASA-N 1 3 338.452 -0.615 20 0 EBADHO CCO[C@@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)C[NH+](C)C ZINC000926852741 651496658 /nfs/dbraw/zinc/49/66/58/651496658.db2.gz ZPQWQPOVOGAHGX-KGLIPLIRSA-N 1 3 343.472 -0.286 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631546 651503942 /nfs/dbraw/zinc/50/39/42/651503942.db2.gz UILOFKNEBRYMCT-LSDHHAIUSA-N 1 3 326.441 -0.395 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927631546 651503948 /nfs/dbraw/zinc/50/39/48/651503948.db2.gz UILOFKNEBRYMCT-LSDHHAIUSA-N 1 3 326.441 -0.395 20 0 EBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927638965 651505557 /nfs/dbraw/zinc/50/55/57/651505557.db2.gz FZNPCHLHSMURCS-GOEBONIOSA-N 1 3 328.457 -0.149 20 0 EBADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C[C@]2(C)C1 ZINC000929992409 651575014 /nfs/dbraw/zinc/57/50/14/651575014.db2.gz QQGJKPJVYQKENR-VKJFTORMSA-N 1 3 334.464 -0.003 20 0 EBADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C[C@]2(C)C1 ZINC000929992409 651575019 /nfs/dbraw/zinc/57/50/19/651575019.db2.gz QQGJKPJVYQKENR-VKJFTORMSA-N 1 3 334.464 -0.003 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)NCCN1CCC(C)(C)C1)C[NH+](C)C ZINC000932463617 651681263 /nfs/dbraw/zinc/68/12/63/651681263.db2.gz HHCHFWZSSIYMSR-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCCN1CC)C[NH+](C)C ZINC000932467520 651681610 /nfs/dbraw/zinc/68/16/10/651681610.db2.gz JNUCZEWOTBXYDV-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(C[C@H]4CCOC4)C3)CC2)C1 ZINC000941666203 652868706 /nfs/dbraw/zinc/86/87/06/652868706.db2.gz QMKHMSYCAASCAC-CVEARBPZSA-N 1 3 336.480 -0.197 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(C[C@H]4CCOC4)C3)CC2)C1 ZINC000941666203 652868708 /nfs/dbraw/zinc/86/87/08/652868708.db2.gz QMKHMSYCAASCAC-CVEARBPZSA-N 1 3 336.480 -0.197 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000946927591 653274244 /nfs/dbraw/zinc/27/42/44/653274244.db2.gz LEURXWMPGWOSSQ-OLZOCXBDSA-N 1 3 326.441 -0.842 20 0 EBADHO CN1CCC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403096 719423809 /nfs/dbraw/zinc/42/38/09/719423809.db2.gz HNLSWKFJBZTADG-DGAVXFQQSA-N 1 3 337.424 -0.343 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCn3cncn3)C[C@@H]2O)CC1 ZINC000958374230 722354143 /nfs/dbraw/zinc/35/41/43/722354143.db2.gz LPEPOELPWYLQCM-GJZGRUSLSA-N 1 3 336.440 -0.971 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCn3cccn3)C[C@@H]2O)CC1 ZINC000958375438 722354301 /nfs/dbraw/zinc/35/43/01/722354301.db2.gz UEXRQIOQMJJZFL-CVEARBPZSA-N 1 3 335.452 -0.366 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000964188090 723869196 /nfs/dbraw/zinc/86/91/96/723869196.db2.gz CRVSODRLKSRHPQ-JSGCOSHPSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000964188090 723869200 /nfs/dbraw/zinc/86/92/00/723869200.db2.gz CRVSODRLKSRHPQ-JSGCOSHPSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000964188087 723869246 /nfs/dbraw/zinc/86/92/46/723869246.db2.gz CRVSODRLKSRHPQ-GXTWGEPZSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000964188087 723869248 /nfs/dbraw/zinc/86/92/48/723869248.db2.gz CRVSODRLKSRHPQ-GXTWGEPZSA-N 1 3 335.408 -0.753 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019438070 728883491 /nfs/dbraw/zinc/88/34/91/728883491.db2.gz FKMQTHZMIQJYRY-OLZOCXBDSA-N 1 3 340.449 -0.033 20 0 EBADHO O=C(N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000969066026 725146659 /nfs/dbraw/zinc/14/66/59/725146659.db2.gz FOBGQKRONZFYQG-KGLIPLIRSA-N 1 3 348.447 -0.142 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1)[NH+](C)C ZINC000969846242 725222386 /nfs/dbraw/zinc/22/23/86/725222386.db2.gz QHNRMIFFIWAQAX-GDBMZVCRSA-N 1 3 340.468 -0.378 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC000969985685 725235198 /nfs/dbraw/zinc/23/51/98/725235198.db2.gz MHIVHOODNOGONQ-NEPJUHHUSA-N 1 3 325.413 -0.931 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC000970354676 725281857 /nfs/dbraw/zinc/28/18/57/725281857.db2.gz DYWZLTHMGFIDQB-UKRRQHHQSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(N1CCO[C@H](CN[C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697308 735332485 /nfs/dbraw/zinc/33/24/85/735332485.db2.gz BBKXXSQIPKGKOK-ZIAGYGMSSA-N 1 3 336.436 -0.680 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000976540945 726340776 /nfs/dbraw/zinc/34/07/76/726340776.db2.gz PHJNWDVVBVCIJR-RBGFHDKUSA-N 1 3 334.464 -0.149 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000976540945 726340777 /nfs/dbraw/zinc/34/07/77/726340777.db2.gz PHJNWDVVBVCIJR-RBGFHDKUSA-N 1 3 334.464 -0.149 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000976544921 726342726 /nfs/dbraw/zinc/34/27/26/726342726.db2.gz JDUTZTFEYYYUFU-NBFUAULTSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000976544921 726342729 /nfs/dbraw/zinc/34/27/29/726342729.db2.gz JDUTZTFEYYYUFU-NBFUAULTSA-N 1 3 334.464 -0.147 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000976560403 726350525 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344.500 -0.004 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876328 737495607 /nfs/dbraw/zinc/49/56/07/737495607.db2.gz HLVWKLLPIXGWHT-GJZGRUSLSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057876596 737496257 /nfs/dbraw/zinc/49/62/57/737496257.db2.gz NKWLHYUNAUOJPA-HUUCEWRRSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001057876596 737496260 /nfs/dbraw/zinc/49/62/60/737496260.db2.gz NKWLHYUNAUOJPA-HUUCEWRRSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001057876965 737496958 /nfs/dbraw/zinc/49/69/58/737496958.db2.gz WAILISAQBVHDFD-OAHLLOKOSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001057883726 737504260 /nfs/dbraw/zinc/50/42/60/737504260.db2.gz UEEJHPKZCQDXHT-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001057883726 737504263 /nfs/dbraw/zinc/50/42/63/737504263.db2.gz UEEJHPKZCQDXHT-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CN(C)C1CCC1 ZINC001057903635 737522702 /nfs/dbraw/zinc/52/27/02/737522702.db2.gz RCWIIVCFFJKQOQ-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CN(C)C1CCC1 ZINC001057903635 737522706 /nfs/dbraw/zinc/52/27/06/737522706.db2.gz RCWIIVCFFJKQOQ-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001057975053 737571849 /nfs/dbraw/zinc/57/18/49/737571849.db2.gz DFUJTEFFBDPVGC-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001057975053 737571851 /nfs/dbraw/zinc/57/18/51/737571851.db2.gz DFUJTEFFBDPVGC-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058158127 737680894 /nfs/dbraw/zinc/68/08/94/737680894.db2.gz QLQVFOYHPDQACY-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058158127 737680895 /nfs/dbraw/zinc/68/08/95/737680895.db2.gz QLQVFOYHPDQACY-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC001058168399 737690162 /nfs/dbraw/zinc/69/01/62/737690162.db2.gz CRENJEFDEBEKSB-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001058250626 737733233 /nfs/dbraw/zinc/73/32/33/737733233.db2.gz AQPRYMIXPHJMIA-LSDHHAIUSA-N 1 3 344.500 -0.150 20 0 EBADHO CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CN(C)C(C)C ZINC001058252287 737734874 /nfs/dbraw/zinc/73/48/74/737734874.db2.gz CTMJHVWHESQRCO-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CN(C)C(C)C ZINC001058252287 737734876 /nfs/dbraw/zinc/73/48/76/737734876.db2.gz CTMJHVWHESQRCO-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001058255063 737736583 /nfs/dbraw/zinc/73/65/83/737736583.db2.gz AQZNPSOQXVQHQV-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001058255063 737736586 /nfs/dbraw/zinc/73/65/86/737736586.db2.gz AQZNPSOQXVQHQV-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCC(C)(C)C1 ZINC001058710787 737961564 /nfs/dbraw/zinc/96/15/64/737961564.db2.gz PAHROIJCFFZTDI-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058711006 737961854 /nfs/dbraw/zinc/96/18/54/737961854.db2.gz YJTOQPHSDCLTHO-UHFFFAOYSA-N 1 3 330.473 -0.395 20 0 EBADHO C[C@H]1CCCN1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058844181 738023857 /nfs/dbraw/zinc/02/38/57/738023857.db2.gz WEFUUUTXBJLPJL-AWEZNQCLSA-N 1 3 328.457 -0.641 20 0 EBADHO C[C@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058845205 738025377 /nfs/dbraw/zinc/02/53/77/738025377.db2.gz HYIXCYRXRRYLKU-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058845205 738025381 /nfs/dbraw/zinc/02/53/81/738025381.db2.gz HYIXCYRXRRYLKU-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058849458 738032423 /nfs/dbraw/zinc/03/24/23/738032423.db2.gz UUVSUTJAHBGVLJ-LSDHHAIUSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001058849458 738032427 /nfs/dbraw/zinc/03/24/27/738032427.db2.gz UUVSUTJAHBGVLJ-LSDHHAIUSA-N 1 3 342.484 -0.537 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065621199 739808780 /nfs/dbraw/zinc/80/87/80/739808780.db2.gz KHXBNSNVMWRJCA-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065621197 739808952 /nfs/dbraw/zinc/80/89/52/739808952.db2.gz KHXBNSNVMWRJCA-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)CC1 ZINC001065669983 739834293 /nfs/dbraw/zinc/83/42/93/739834293.db2.gz ANSIEIHBADRACQ-CQSZACIVSA-N 1 3 349.435 -0.362 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001068461517 740333630 /nfs/dbraw/zinc/33/36/30/740333630.db2.gz QORAGDNEKLNEAT-UHFFFAOYSA-N 1 3 349.435 -0.266 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001068461517 740333634 /nfs/dbraw/zinc/33/36/34/740333634.db2.gz QORAGDNEKLNEAT-UHFFFAOYSA-N 1 3 349.435 -0.266 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068878134 740479235 /nfs/dbraw/zinc/47/92/35/740479235.db2.gz CBURZCZPATVYNC-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1)N(C)C ZINC001068913488 740491026 /nfs/dbraw/zinc/49/10/26/740491026.db2.gz SIBBMNHRVSQEBR-UONOGXRCSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1)N(C)C ZINC001068935599 740499982 /nfs/dbraw/zinc/49/99/82/740499982.db2.gz SIBBMNHRVSQEBR-KGLIPLIRSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2)N(C)C ZINC001069012507 740522808 /nfs/dbraw/zinc/52/28/08/740522808.db2.gz FRBJLRVPOXWHED-UONOGXRCSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006130 740654080 /nfs/dbraw/zinc/65/40/80/740654080.db2.gz FDKUHSCXAOOWRW-ILXRZTDVSA-N 1 3 336.440 -0.251 20 0 EBADHO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006130 740654083 /nfs/dbraw/zinc/65/40/83/740654083.db2.gz FDKUHSCXAOOWRW-ILXRZTDVSA-N 1 3 336.440 -0.251 20 0 EBADHO O=C(NCc1c[nH]nc1[C@@H]1CCN(CCO)C1)C12CC[NH+](CC1)C2 ZINC001070432492 740823676 /nfs/dbraw/zinc/82/36/76/740823676.db2.gz HIZUVGOQXXJYQO-CYBMUJFWSA-N 1 3 333.436 -0.097 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433585 741399243 /nfs/dbraw/zinc/39/92/43/741399243.db2.gz YGSJISOJTDRRAY-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001074713238 742083711 /nfs/dbraw/zinc/08/37/11/742083711.db2.gz OMLVLVSNFDXXDD-AWEZNQCLSA-N 1 3 342.484 -0.252 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C)C1 ZINC001074878309 742126784 /nfs/dbraw/zinc/12/67/84/742126784.db2.gz MSZYHAMBSOYKNA-ILXRZTDVSA-N 1 3 337.468 -0.068 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C)N(C)C ZINC001074885472 742127107 /nfs/dbraw/zinc/12/71/07/742127107.db2.gz FXMSSWSXDZNOKD-AVGNSLFASA-N 1 3 339.440 -0.543 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C)N(C)C ZINC001074885592 742127314 /nfs/dbraw/zinc/12/73/14/742127314.db2.gz NHSURQKETZGKCQ-KKUMJFAQSA-N 1 3 340.468 -0.236 20 0 EBADHO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H](C1CC1)N(C)C ZINC001077495900 743020099 /nfs/dbraw/zinc/02/00/99/743020099.db2.gz VWNLPSULINQAOT-BBRMVZONSA-N 1 3 342.484 -0.084 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCCO[C@@H](CN[C@@H]3CCNC3=O)C2)CC1 ZINC001078460217 743660898 /nfs/dbraw/zinc/66/08/98/743660898.db2.gz NTVZAQSPMUTCQA-LSDHHAIUSA-N 1 3 338.452 -0.576 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976864020 803916728 /nfs/dbraw/zinc/91/67/28/803916728.db2.gz JQIKISAHHIVUKF-BARDWOONSA-N 1 3 332.448 -0.251 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000976867741 803920388 /nfs/dbraw/zinc/92/03/88/803920388.db2.gz MBHACWBJHWBYQR-OIPACUDHSA-N 1 3 334.464 -0.003 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000976867741 803920389 /nfs/dbraw/zinc/92/03/89/803920389.db2.gz MBHACWBJHWBYQR-OIPACUDHSA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(CN1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976869592 803923161 /nfs/dbraw/zinc/92/31/61/803923161.db2.gz LJMUSRFYGBNMMR-FOLVSLTJSA-N 1 3 332.448 -0.249 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)CN1CCCC1 ZINC000987525591 807953919 /nfs/dbraw/zinc/95/39/19/807953919.db2.gz PFHNJGRLLILQJC-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC1 ZINC000991573850 809660341 /nfs/dbraw/zinc/66/03/41/809660341.db2.gz PJWUHGIKFOITFJ-GJZGRUSLSA-N 1 3 349.435 -0.628 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214597870 810264746 /nfs/dbraw/zinc/26/47/46/810264746.db2.gz QBEKCLSQKINCJN-JHJVBQTASA-N 1 3 339.440 -0.509 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214597870 810264752 /nfs/dbraw/zinc/26/47/52/810264752.db2.gz QBEKCLSQKINCJN-JHJVBQTASA-N 1 3 339.440 -0.509 20 0 EBADHO CNC(=O)CN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655232 810270267 /nfs/dbraw/zinc/27/02/67/810270267.db2.gz DWQSHCBBFOWBIY-TZMCWYRMSA-N 1 3 336.440 -0.759 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)NC(N)=O ZINC001215397030 810326350 /nfs/dbraw/zinc/32/63/50/810326350.db2.gz PGQGKXYJHNBARA-MROQNXINSA-N 1 3 339.440 -0.652 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)NC(N)=O ZINC001215397030 810326353 /nfs/dbraw/zinc/32/63/53/810326353.db2.gz PGQGKXYJHNBARA-MROQNXINSA-N 1 3 339.440 -0.652 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215423701 810327278 /nfs/dbraw/zinc/32/72/78/810327278.db2.gz RRZYUCLUBCHKNF-GRYCIOLGSA-N 1 3 327.429 -0.652 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC[C@H]1C[NH2+]CCO1 ZINC001218179483 810480514 /nfs/dbraw/zinc/48/05/14/810480514.db2.gz SRZJMWXXHVZUJV-SECBINFHSA-N 1 3 340.380 -0.872 20 0 EBADHO CN1CCN(c2ccc(NC(=O)[C@@H](N)CSCC[NH3+])nc2)CC1 ZINC001218515231 810496774 /nfs/dbraw/zinc/49/67/74/810496774.db2.gz DADYGINALIRTJX-ZDUSSCGKSA-N 1 3 338.481 -0.209 20 0 EBADHO N[C@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1)C1CC[NH2+]CC1 ZINC001218511710 810497088 /nfs/dbraw/zinc/49/70/88/810497088.db2.gz XLGHIBINYHIXDA-HNNXBMFYSA-N 1 3 347.419 -0.181 20 0 EBADHO CN1CCN(c2ncccc2NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001218555502 810502217 /nfs/dbraw/zinc/50/22/17/810502217.db2.gz HRSOIQBBZHUMCK-RDTXWAMCSA-N 1 3 344.463 -0.029 20 0 EBADHO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218662635 810518483 /nfs/dbraw/zinc/51/84/83/810518483.db2.gz ZRBCDQWBQIGHKY-NEPJUHHUSA-N 1 3 344.375 -0.259 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696752 810520782 /nfs/dbraw/zinc/52/07/82/810520782.db2.gz YDYXRWUNYVGLRC-QWRGUYRKSA-N 1 3 334.424 -0.399 20 0 EBADHO Nc1ccc(COCCO)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218917315 810544086 /nfs/dbraw/zinc/54/40/86/810544086.db2.gz LAZKCMFERSETEK-CXAGYDPISA-N 1 3 334.420 -0.085 20 0 EBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029913 810557285 /nfs/dbraw/zinc/55/72/85/810557285.db2.gz SWROJCMMGHPSDL-HNNXBMFYSA-N 1 3 333.436 -0.143 20 0 EBADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C[NH2+]1 ZINC001219683601 810797598 /nfs/dbraw/zinc/79/75/98/810797598.db2.gz BIBSCMADDHVFLA-UPJWGTAASA-N 1 3 334.424 -0.572 20 0 EBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737421 810817874 /nfs/dbraw/zinc/81/78/74/810817874.db2.gz VRBFKXNIENJSCP-NEPJUHHUSA-N 1 3 327.425 -0.199 20 0 EBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812702 810858208 /nfs/dbraw/zinc/85/82/08/810858208.db2.gz GZYJVDDHFRWLBO-OZVIIMIRSA-N 1 3 327.425 -0.212 20 0 EBADHO NC1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838634 810871002 /nfs/dbraw/zinc/87/10/02/810871002.db2.gz SKVAYJHSVHEZAL-KSSFIOAISA-N 1 3 345.443 -0.006 20 0 EBADHO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cncc2c1CCNC2 ZINC001219843813 810874539 /nfs/dbraw/zinc/87/45/39/810874539.db2.gz DBZARZURXZEDGL-UGSOOPFHSA-N 1 3 346.431 -0.148 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929344 810912553 /nfs/dbraw/zinc/91/25/53/810912553.db2.gz KEOGGKDCLRANBR-CQSZACIVSA-N 1 3 348.451 -0.059 20 0 EBADHO O=C(NCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccncc1 ZINC001219936551 810915857 /nfs/dbraw/zinc/91/58/57/810915857.db2.gz JCYNNUZYTKNUJO-CQSZACIVSA-N 1 3 331.420 -0.198 20 0 EBADHO O=C(NCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccncc1 ZINC001219936551 810915861 /nfs/dbraw/zinc/91/58/61/810915861.db2.gz JCYNNUZYTKNUJO-CQSZACIVSA-N 1 3 331.420 -0.198 20 0 EBADHO COC(=O)C1(NC(=O)[C@@H](N)CCCCNC(C)=O)CC[NH2+]CC1 ZINC001220001089 810942021 /nfs/dbraw/zinc/94/20/21/810942021.db2.gz HKWIRVGIOHLBGB-LBPRGKRZSA-N 1 3 328.413 -0.969 20 0 EBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034214 810955885 /nfs/dbraw/zinc/95/58/85/810955885.db2.gz OWWNWZQZTGVECH-CLPSQLOGSA-N 1 3 339.436 -0.953 20 0 EBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034214 810955892 /nfs/dbraw/zinc/95/58/92/810955892.db2.gz OWWNWZQZTGVECH-CLPSQLOGSA-N 1 3 339.436 -0.953 20 0 EBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220088630 810978897 /nfs/dbraw/zinc/97/88/97/810978897.db2.gz JTHIBLOGZLKVFS-BFQNTYOBSA-N 1 3 327.425 -0.342 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319688 811055813 /nfs/dbraw/zinc/05/58/13/811055813.db2.gz IJCFADVKIYGQCG-YCPHGPKFSA-N 1 3 326.441 -0.353 20 0 EBADHO N=C(N)N(C(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460581 811116613 /nfs/dbraw/zinc/11/66/13/811116613.db2.gz RUNLKALXBKOIST-KGLIPLIRSA-N 1 3 333.392 -0.528 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036208749 811120109 /nfs/dbraw/zinc/12/01/09/811120109.db2.gz XEJNSNDIHBQKSD-TZMCWYRMSA-N 1 3 334.424 -0.196 20 0 EBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCOCCOCC[NH3+] ZINC001220519376 811135509 /nfs/dbraw/zinc/13/55/09/811135509.db2.gz MAULNPFFCPYCSB-LBPRGKRZSA-N 1 3 333.429 -0.586 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801508 811246194 /nfs/dbraw/zinc/24/61/94/811246194.db2.gz ZYEYUFMLEBWOKD-IWSPIJDZSA-N 1 3 325.335 -0.581 20 0 EBADHO [NH3+]CCCNCC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220900328 811286892 /nfs/dbraw/zinc/28/68/92/811286892.db2.gz HFOHPTAMLMXAJZ-UHFFFAOYSA-N 1 3 339.484 -0.482 20 0 EBADHO N[C@]1(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CC[NH2+]C1 ZINC001220900520 811287264 /nfs/dbraw/zinc/28/72/64/811287264.db2.gz LYXQDXTYBVPTNW-QGZVFWFLSA-N 1 3 337.468 -0.730 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cn(Cc2ccncc2)cn1 ZINC001221026330 811350821 /nfs/dbraw/zinc/35/08/21/811350821.db2.gz UISBGTINXOXLCP-AWEZNQCLSA-N 1 3 334.449 -0.038 20 0 EBADHO COc1cccc(CNC(=O)CNC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001221060847 811358487 /nfs/dbraw/zinc/35/84/87/811358487.db2.gz QTWLIHIXCGLBGC-INIZCTEOSA-N 1 3 334.420 -0.246 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC([NH3+])(CCOC)CC1 ZINC001221135757 811387651 /nfs/dbraw/zinc/38/76/51/811387651.db2.gz BRRNGNPNHCELJQ-JSGCOSHPSA-N 1 3 328.457 -0.168 20 0 EBADHO COCCOc1nccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001221158219 811395871 /nfs/dbraw/zinc/39/58/71/811395871.db2.gz VELAIFRPPVUKKN-AWEZNQCLSA-N 1 3 349.435 -0.008 20 0 EBADHO COCCOc1nccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001221158219 811395880 /nfs/dbraw/zinc/39/58/80/811395880.db2.gz VELAIFRPPVUKKN-AWEZNQCLSA-N 1 3 349.435 -0.008 20 0 EBADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787446 811534359 /nfs/dbraw/zinc/53/43/59/811534359.db2.gz RNZFLGUYJSQYKN-BZUAXINKSA-N 1 3 325.453 -0.132 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235039475 812467084 /nfs/dbraw/zinc/46/70/84/812467084.db2.gz ZUOMOXKRFDMPOQ-JEWKUQAESA-N 1 3 328.409 -0.466 20 0 EBADHO Cc1ncc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)n1C ZINC001238243369 812525108 /nfs/dbraw/zinc/52/51/08/812525108.db2.gz UIMNSSRDKWMUJW-GFCCVEGCSA-N 1 3 327.454 -0.119 20 0 EBADHO Cc1ncc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)n1C ZINC001238243369 812525111 /nfs/dbraw/zinc/52/51/11/812525111.db2.gz UIMNSSRDKWMUJW-GFCCVEGCSA-N 1 3 327.454 -0.119 20 0 EBADHO CC[C@]1(C(=O)OC)C[C@H](NCCOCCOCCOCC[NH3+])CN1 ZINC001246289000 812569358 /nfs/dbraw/zinc/56/93/58/812569358.db2.gz MXMIPELBWNLEHO-GOEBONIOSA-N 1 3 347.456 -0.732 20 0 EBADHO COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C[C@@H]1C(=O)OC ZINC001246403793 812571845 /nfs/dbraw/zinc/57/18/45/812571845.db2.gz HZXRMOGXPUNOJG-USZNOCQGSA-N 1 3 329.397 -0.700 20 0 EBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C[C@@H]1C(=O)OC ZINC001246403799 812572225 /nfs/dbraw/zinc/57/22/25/812572225.db2.gz HZXRMOGXPUNOJG-YFKTTZPYSA-N 1 3 329.397 -0.700 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555355 812575525 /nfs/dbraw/zinc/57/55/25/812575525.db2.gz XKBPLMSVSPBBSI-NFFDBFGFSA-N 1 3 328.409 -0.097 20 0 EBADHO CCOC(=O)[C@@H]1CNCCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599452 812576913 /nfs/dbraw/zinc/57/69/13/812576913.db2.gz CVXOBBDQNUXFGG-AGIUHOORSA-N 1 3 342.465 -0.913 20 0 EBADHO O=C([C@@H]1C[C@@H](N2CC[C@@H]3OCCN[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246653901 812579315 /nfs/dbraw/zinc/57/93/15/812579315.db2.gz BQAGOUMWYVMGHR-RFGFWPKPSA-N 1 3 326.466 -0.688 20 0 EBADHO CC(=O)N1CCOC[C@@]2(CN([C@@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723502 812583113 /nfs/dbraw/zinc/58/31/13/812583113.db2.gz JKBMXOHPJBCQKL-WBVHZDCISA-N 1 3 338.452 -0.970 20 0 EBADHO O=C(NCC1CC1)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246763460 812586553 /nfs/dbraw/zinc/58/65/53/812586553.db2.gz ZPVPHDQIPXDRLW-CYBMUJFWSA-N 1 3 344.463 -0.065 20 0 EBADHO C[C@@H]1O[C@@H](OCC[NH2+]C2CCN(C(C)(C)C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001256568789 812735392 /nfs/dbraw/zinc/73/53/92/812735392.db2.gz FHOZGHHTAJUQSD-BPKBQXTESA-N 1 3 346.468 -0.317 20 0 EBADHO CN1CCN(C[C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC001261436662 812905881 /nfs/dbraw/zinc/90/58/81/812905881.db2.gz IEKLUPIINBYITP-ROUUACIJSA-N 1 3 340.512 -0.172 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001261516815 812923874 /nfs/dbraw/zinc/92/38/74/812923874.db2.gz ALXINCRTJGXTDK-TXEJJXNPSA-N 1 3 332.395 -0.338 20 0 EBADHO CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081445807 812961735 /nfs/dbraw/zinc/96/17/35/812961735.db2.gz BLPUVIOMMFTQNM-OWCLPIDISA-N 1 3 335.452 -0.128 20 0 EBADHO CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081445807 812961738 /nfs/dbraw/zinc/96/17/38/812961738.db2.gz BLPUVIOMMFTQNM-OWCLPIDISA-N 1 3 335.452 -0.128 20 0 EBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001263864036 813131181 /nfs/dbraw/zinc/13/11/81/813131181.db2.gz LVGYUKVEHARGHZ-OBJOEFQTSA-N 1 3 336.436 -0.240 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001265626696 813351362 /nfs/dbraw/zinc/35/13/62/813351362.db2.gz ZMDVRTQRUPMFLW-GFCCVEGCSA-N 1 3 348.407 -0.668 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001265636549 813353702 /nfs/dbraw/zinc/35/37/02/813353702.db2.gz LHNUWANMJOEABC-KBPBESRZSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001265673355 813356881 /nfs/dbraw/zinc/35/68/81/813356881.db2.gz DCCDSEXOUDVKQU-ZIAGYGMSSA-N 1 3 348.513 -0.154 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC1 ZINC001081700350 813437192 /nfs/dbraw/zinc/43/71/92/813437192.db2.gz HJPNFDAJXAXGOB-OCCSQVGLSA-N 1 3 349.435 -0.771 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037126 813444584 /nfs/dbraw/zinc/44/45/84/813444584.db2.gz KSAOWAPNBJBPEH-AWEZNQCLSA-N 1 3 346.497 -0.540 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001266125566 813463445 /nfs/dbraw/zinc/46/34/45/813463445.db2.gz FMSTTZNYXLIALQ-KGLIPLIRSA-N 1 3 336.436 -0.144 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001266125566 813463450 /nfs/dbraw/zinc/46/34/50/813463450.db2.gz FMSTTZNYXLIALQ-KGLIPLIRSA-N 1 3 336.436 -0.144 20 0 EBADHO CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001266659534 813633794 /nfs/dbraw/zinc/63/37/94/813633794.db2.gz FAJKUEJAXRCMIL-ZDUSSCGKSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H]1CN(C(=O)CNCCN(C)C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001266827300 813678737 /nfs/dbraw/zinc/67/87/37/813678737.db2.gz RDYUWYOEHISCFQ-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267003018 813729742 /nfs/dbraw/zinc/72/97/42/813729742.db2.gz YJKHZUUMQXCDFV-STQMWFEESA-N 1 3 337.424 -0.723 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267025225 813738854 /nfs/dbraw/zinc/73/88/54/813738854.db2.gz OGESERQCCUIADY-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CS(=O)(=O)CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267058373 813748295 /nfs/dbraw/zinc/74/82/95/813748295.db2.gz KBONHWUAZQYQAL-LBPRGKRZSA-N 1 3 328.438 -0.175 20 0 EBADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820206 814049117 /nfs/dbraw/zinc/04/91/17/814049117.db2.gz OMQMIFYOHGYHDW-UONOGXRCSA-N 1 3 338.452 -0.038 20 0 EBADHO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N2CCCC2)cn1 ZINC001268318134 814195818 /nfs/dbraw/zinc/19/58/18/814195818.db2.gz VBEFSCBOXKSGJO-HNNXBMFYSA-N 1 3 337.468 -0.096 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001268576067 814301432 /nfs/dbraw/zinc/30/14/32/814301432.db2.gz UEPSFDNQGVRKLU-DTSKHDKYSA-N 1 3 329.466 -0.223 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001269422664 814685002 /nfs/dbraw/zinc/68/50/02/814685002.db2.gz JUJKZIMRKKILMM-QWHCGFSZSA-N 1 3 336.436 -0.096 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001269422664 814685005 /nfs/dbraw/zinc/68/50/05/814685005.db2.gz JUJKZIMRKKILMM-QWHCGFSZSA-N 1 3 336.436 -0.096 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272196975 816347684 /nfs/dbraw/zinc/34/76/84/816347684.db2.gz PYNQRXODJXGGHD-HUUCEWRRSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001272196975 816347688 /nfs/dbraw/zinc/34/76/88/816347688.db2.gz PYNQRXODJXGGHD-HUUCEWRRSA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087908761 816574988 /nfs/dbraw/zinc/57/49/88/816574988.db2.gz MTUPSMRNELRDOU-PMPSAXMXSA-N 1 3 349.479 -0.114 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087908761 816574993 /nfs/dbraw/zinc/57/49/93/816574993.db2.gz MTUPSMRNELRDOU-PMPSAXMXSA-N 1 3 349.479 -0.114 20 0 EBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273716220 816741198 /nfs/dbraw/zinc/74/11/98/816741198.db2.gz GNXXPHRTIOEZEE-GXTWGEPZSA-N 1 3 326.441 -0.184 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001274026573 816843092 /nfs/dbraw/zinc/84/30/92/816843092.db2.gz RKFGXFCGHGUDNC-QITAHTHBSA-N 1 3 339.440 -0.295 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001274026573 816843099 /nfs/dbraw/zinc/84/30/99/816843099.db2.gz RKFGXFCGHGUDNC-QITAHTHBSA-N 1 3 339.440 -0.295 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C\CN[C@H]2CCCNC2=O)n1 ZINC001274034895 816844714 /nfs/dbraw/zinc/84/47/14/816844714.db2.gz IZIIZCHZEIMEIS-NQHOJNORSA-N 1 3 348.451 -0.401 20 0 EBADHO CC(C)OC[C@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628564 817046327 /nfs/dbraw/zinc/04/63/27/817046327.db2.gz UWZWFXVKUSUNRB-NVXWUHKLSA-N 1 3 343.468 -0.363 20 0 EBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276625893 817441518 /nfs/dbraw/zinc/44/15/18/817441518.db2.gz HTYUKNWMPPLIDL-KBPBESRZSA-N 1 3 337.424 -0.357 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(O)(C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001281635545 818239703 /nfs/dbraw/zinc/23/97/03/818239703.db2.gz FTKLSXCEYMWXJT-UHFFFAOYSA-N 1 3 349.435 -0.579 20 0 EBADHO CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927699 818533649 /nfs/dbraw/zinc/53/36/49/818533649.db2.gz HCMLMMGVDKZUCH-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001283881541 819017280 /nfs/dbraw/zinc/01/72/80/819017280.db2.gz NLKFDQUAFPBZCB-TZMCWYRMSA-N 1 3 346.497 -0.401 20 0 EBADHO C[NH+](C)CCCC(=O)N1C[C@@H](N[C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313848 819180381 /nfs/dbraw/zinc/18/03/81/819180381.db2.gz TXIMXKRDJFIWOJ-CHWSQXEVSA-N 1 3 338.452 -0.040 20 0 EBADHO CCN(CC)CC(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1 ZINC001098506217 819222957 /nfs/dbraw/zinc/22/29/57/819222957.db2.gz OLFRSKWEYIWTJK-MRXNPFEDSA-N 1 3 345.484 -0.379 20 0 EBADHO CCN(CC)CC(=O)N1CCC([N@@H+](CCO)C[C@@H](O)COC)CC1 ZINC001098506217 819222965 /nfs/dbraw/zinc/22/29/65/819222965.db2.gz OLFRSKWEYIWTJK-MRXNPFEDSA-N 1 3 345.484 -0.379 20 0 EBADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1 ZINC001098540376 819237936 /nfs/dbraw/zinc/23/79/36/819237936.db2.gz HBVIOUGVEWDHED-MRXNPFEDSA-N 1 3 345.484 -0.379 20 0 EBADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@@H](O)COC)CC1 ZINC001098540376 819237943 /nfs/dbraw/zinc/23/79/43/819237943.db2.gz HBVIOUGVEWDHED-MRXNPFEDSA-N 1 3 345.484 -0.379 20 0 EBADHO CNC(=O)[C@@H](C)NCCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284869640 819381041 /nfs/dbraw/zinc/38/10/41/819381041.db2.gz YYHAXOMOGPRYGT-UKRRQHHQSA-N 1 3 340.468 -0.473 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001284876223 819385769 /nfs/dbraw/zinc/38/57/69/819385769.db2.gz QEIGPTROTCXQKR-MRXNPFEDSA-N 1 3 346.447 -0.251 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001284876223 819385775 /nfs/dbraw/zinc/38/57/75/819385775.db2.gz QEIGPTROTCXQKR-MRXNPFEDSA-N 1 3 346.447 -0.251 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C[C@@H]1O ZINC001100063667 820144955 /nfs/dbraw/zinc/14/49/55/820144955.db2.gz AWQWXCMIXWVLCX-HOTGVXAUSA-N 1 3 337.468 -0.144 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C[C@@H]1O ZINC001100063667 820144956 /nfs/dbraw/zinc/14/49/56/820144956.db2.gz AWQWXCMIXWVLCX-HOTGVXAUSA-N 1 3 337.468 -0.144 20 0 EBADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001100647056 820499006 /nfs/dbraw/zinc/49/90/06/820499006.db2.gz AGRSGTZVBCEENS-GCZXYKMCSA-N 1 3 327.429 -0.748 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100678275 820508578 /nfs/dbraw/zinc/50/85/78/820508578.db2.gz FXPMCZSPIIOWKE-HSBZDZAISA-N 1 3 346.497 -0.638 20 0 EBADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513711 821135437 /nfs/dbraw/zinc/13/54/37/821135437.db2.gz YHRFRTKWLPQRRI-MGPQQGTHSA-N 1 3 326.441 -0.863 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102525109 821138566 /nfs/dbraw/zinc/13/85/66/821138566.db2.gz LJVSUEVRACSENX-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102525109 821138569 /nfs/dbraw/zinc/13/85/69/821138569.db2.gz LJVSUEVRACSENX-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO CC(C)CNCc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105360847 821718877 /nfs/dbraw/zinc/71/88/77/821718877.db2.gz KKLSGGQAGXOWCT-UHFFFAOYSA-N 1 3 338.456 -0.015 20 0 EBADHO CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105660445 821788895 /nfs/dbraw/zinc/78/88/95/821788895.db2.gz VDYIGBLXFIJQIO-UTJXIGIESA-N 1 3 340.468 -0.611 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001316635873 821822709 /nfs/dbraw/zinc/82/27/09/821822709.db2.gz HOXXFXATKNXEIV-AAVRWANBSA-N 1 3 336.436 -0.382 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001316639214 821825415 /nfs/dbraw/zinc/82/54/15/821825415.db2.gz HNDSGAWRGVOSQB-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001317321627 822082321 /nfs/dbraw/zinc/08/23/21/822082321.db2.gz HGRZPHPIJGISML-CYBMUJFWSA-N 1 3 331.482 -0.047 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001317334524 822086143 /nfs/dbraw/zinc/08/61/43/822086143.db2.gz BJBNMHNDOMRXJM-STQMWFEESA-N 1 3 334.486 -0.686 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317654095 822193457 /nfs/dbraw/zinc/19/34/57/822193457.db2.gz XPGYAQSIOVRBLY-ZDUSSCGKSA-N 1 3 329.445 -0.534 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)N(C)C ZINC001106312397 822245121 /nfs/dbraw/zinc/24/51/21/822245121.db2.gz FLLKQQQYFKTATL-IJLUTSLNSA-N 1 3 327.429 -0.794 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1)N(C)C ZINC001106674464 822309632 /nfs/dbraw/zinc/30/96/32/822309632.db2.gz WBPLFLHJPPSVFS-UPJWGTAASA-N 1 3 341.456 -0.534 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106704808 822315601 /nfs/dbraw/zinc/31/56/01/822315601.db2.gz DEFNYEDPYBGIOB-CHWSQXEVSA-N 1 3 347.419 -0.215 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106783364 822331088 /nfs/dbraw/zinc/33/10/88/822331088.db2.gz OHEWRNMFJXLQLW-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106784590 822331161 /nfs/dbraw/zinc/33/11/61/822331161.db2.gz JTZPXPXFNBWOCY-FRRDWIJNSA-N 1 3 341.456 -0.404 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001128552671 828473864 /nfs/dbraw/zinc/47/38/64/828473864.db2.gz RRPBPYUVMYTRQF-UONOGXRCSA-N 1 3 348.463 -0.087 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363486 828604646 /nfs/dbraw/zinc/60/46/46/828604646.db2.gz HTANBDPFTHGVGN-GFCCVEGCSA-N 1 3 341.456 -0.201 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)CCC1 ZINC001129363010 828604983 /nfs/dbraw/zinc/60/49/83/828604983.db2.gz DGTFLZBRLBIXGL-HUUCEWRRSA-N 1 3 343.468 -0.267 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CCC1 ZINC001129358155 828605027 /nfs/dbraw/zinc/60/50/27/828605027.db2.gz QNTCPZZWHUUCBR-ZDUSSCGKSA-N 1 3 326.441 -0.840 20 0 EBADHO C[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364311 828605793 /nfs/dbraw/zinc/60/57/93/828605793.db2.gz RWAGRYSHKHQBDT-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364311 828605797 /nfs/dbraw/zinc/60/57/97/828605797.db2.gz RWAGRYSHKHQBDT-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC(=O)NC1CC1 ZINC001129454499 828622857 /nfs/dbraw/zinc/62/28/57/828622857.db2.gz JVNKVRMUSSSWFH-GWCFXTLKSA-N 1 3 339.440 -0.591 20 0 EBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430037 828617743 /nfs/dbraw/zinc/61/77/43/828617743.db2.gz NCRRMSORDRTNOI-ZIAGYGMSSA-N 1 3 336.436 -0.096 20 0 EBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430037 828617744 /nfs/dbraw/zinc/61/77/44/828617744.db2.gz NCRRMSORDRTNOI-ZIAGYGMSSA-N 1 3 336.436 -0.096 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129436764 828618963 /nfs/dbraw/zinc/61/89/63/828618963.db2.gz SHHRMGHKSSXLJC-CYBMUJFWSA-N 1 3 334.486 -0.638 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437148 828620054 /nfs/dbraw/zinc/62/00/54/828620054.db2.gz VYTLTCMPVWUULP-OCCSQVGLSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)C1CC1 ZINC001129449626 828621458 /nfs/dbraw/zinc/62/14/58/828621458.db2.gz QQRODBUOBGVCFG-HOCLYGCPSA-N 1 3 343.468 -0.411 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1)C1CCC1 ZINC001129535577 828631877 /nfs/dbraw/zinc/63/18/77/828631877.db2.gz XHZIZMRMMIKFQV-HOTGVXAUSA-N 1 3 343.468 -0.267 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856659 828682584 /nfs/dbraw/zinc/68/25/84/828682584.db2.gz VIPOTKHZNBPZAZ-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856659 828682587 /nfs/dbraw/zinc/68/25/87/828682587.db2.gz VIPOTKHZNBPZAZ-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173893 828744872 /nfs/dbraw/zinc/74/48/72/828744872.db2.gz STFKIUPVBXJWFS-UHFFFAOYSA-N 1 3 332.470 -0.883 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001130200660 828753912 /nfs/dbraw/zinc/75/39/12/828753912.db2.gz MTYGXBARDGXWTQ-CMPLNLGQSA-N 1 3 327.429 -0.591 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001130200959 828754010 /nfs/dbraw/zinc/75/40/10/828754010.db2.gz QUTBNMSSUZCAQD-LLVKDONJSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)N(C)C ZINC001130204844 828755085 /nfs/dbraw/zinc/75/50/85/828755085.db2.gz AYOATRFPCVEVHI-DZGCQCFKSA-N 1 3 331.457 -0.411 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001130421895 828828046 /nfs/dbraw/zinc/82/80/46/828828046.db2.gz NRRBKNFISQRNAC-CABCVRRESA-N 1 3 345.484 -0.021 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001130425375 828830051 /nfs/dbraw/zinc/83/00/51/828830051.db2.gz WNQRSUGMDUPAMR-ZDUSSCGKSA-N 1 3 328.457 -0.594 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001179763333 833009252 /nfs/dbraw/zinc/00/92/52/833009252.db2.gz HQYWORQJXZKKCX-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114353383 826211621 /nfs/dbraw/zinc/21/16/21/826211621.db2.gz RKLMSJGSANXZJI-BARDWOONSA-N 1 3 331.432 -0.278 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114353383 826211627 /nfs/dbraw/zinc/21/16/27/826211627.db2.gz RKLMSJGSANXZJI-BARDWOONSA-N 1 3 331.432 -0.278 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180136275 833045516 /nfs/dbraw/zinc/04/55/16/833045516.db2.gz VKJZSZILFHXVLD-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118678534 826982280 /nfs/dbraw/zinc/98/22/80/826982280.db2.gz JQPNAARKLCJDOV-CQSZACIVSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119037227 827052376 /nfs/dbraw/zinc/05/23/76/827052376.db2.gz QMEMLZVJMGGFOQ-ZDUSSCGKSA-N 1 3 325.457 -0.970 20 0 EBADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001121935069 827486333 /nfs/dbraw/zinc/48/63/33/827486333.db2.gz GEWJXVHJYMJTRH-UHFFFAOYSA-N 1 3 339.440 -0.460 20 0 EBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670071 833251957 /nfs/dbraw/zinc/25/19/57/833251957.db2.gz IEKVEUAQWJDZLX-CYBMUJFWSA-N 1 3 336.440 -0.615 20 0 EBADHO CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182624056 833248792 /nfs/dbraw/zinc/24/87/92/833248792.db2.gz XZYBGNKYUYQVJM-ZIAGYGMSSA-N 1 3 344.481 -0.932 20 0 EBADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001124879402 827973484 /nfs/dbraw/zinc/97/34/84/827973484.db2.gz SWDSBCHAHKAIOL-QWRGUYRKSA-N 1 3 336.358 -0.050 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183267818 833285216 /nfs/dbraw/zinc/28/52/16/833285216.db2.gz NVHCCVZGUHLIFL-ZIAGYGMSSA-N 1 3 346.497 -0.544 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001183581915 833296221 /nfs/dbraw/zinc/29/62/21/833296221.db2.gz PBXMKSHWKSMOBQ-QLFBSQMISA-N 1 3 340.468 -0.500 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001127065632 828247488 /nfs/dbraw/zinc/24/74/88/828247488.db2.gz CGYBECCVWQPXRG-ZDUSSCGKSA-N 1 3 334.486 -0.544 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001127065632 828247490 /nfs/dbraw/zinc/24/74/90/828247490.db2.gz CGYBECCVWQPXRG-ZDUSSCGKSA-N 1 3 334.486 -0.544 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001127081777 828248389 /nfs/dbraw/zinc/24/83/89/828248389.db2.gz BIWRMSOBIIMYHA-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001127081777 828248396 /nfs/dbraw/zinc/24/83/96/828248396.db2.gz BIWRMSOBIIMYHA-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001127639230 828310018 /nfs/dbraw/zinc/31/00/18/828310018.db2.gz WRFOXYZKZGWYEB-CHWSQXEVSA-N 1 3 332.470 -0.932 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001127639230 828310026 /nfs/dbraw/zinc/31/00/26/828310026.db2.gz WRFOXYZKZGWYEB-CHWSQXEVSA-N 1 3 332.470 -0.932 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001127706567 828316746 /nfs/dbraw/zinc/31/67/46/828316746.db2.gz NKENTBRBFZWAAN-QLFBSQMISA-N 1 3 340.468 -0.425 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC[N@H+]1C ZINC001127706567 828316755 /nfs/dbraw/zinc/31/67/55/828316755.db2.gz NKENTBRBFZWAAN-QLFBSQMISA-N 1 3 340.468 -0.425 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779270 828328464 /nfs/dbraw/zinc/32/84/64/828328464.db2.gz KKMWJZYIBJNJIS-GJZGRUSLSA-N 1 3 338.452 -0.576 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779270 828328475 /nfs/dbraw/zinc/32/84/75/828328475.db2.gz KKMWJZYIBJNJIS-GJZGRUSLSA-N 1 3 338.452 -0.576 20 0 EBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184432895 833330169 /nfs/dbraw/zinc/33/01/69/833330169.db2.gz ANNYWWHKEQCUQL-VXSWHIBVSA-N 1 3 339.436 -0.953 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185159190 833348278 /nfs/dbraw/zinc/34/82/78/833348278.db2.gz YJUKRELJHQJFEB-RWMBFGLXSA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185159190 833348280 /nfs/dbraw/zinc/34/82/80/833348280.db2.gz YJUKRELJHQJFEB-RWMBFGLXSA-N 1 3 339.440 -0.637 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001185248403 833351270 /nfs/dbraw/zinc/35/12/70/833351270.db2.gz DZESGJCXDPDMSU-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001185408682 833357906 /nfs/dbraw/zinc/35/79/06/833357906.db2.gz VUBSMBBJOSYEOP-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001185401542 833357945 /nfs/dbraw/zinc/35/79/45/833357945.db2.gz SAHPFCIUUOJBNQ-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO COCCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401920 833358083 /nfs/dbraw/zinc/35/80/83/833358083.db2.gz YYGDCUISIXYIJK-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650057 833364978 /nfs/dbraw/zinc/36/49/78/833364978.db2.gz BFIUMVGGZMHMRA-GDBMZVCRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1)N(C)C ZINC001185715695 833367769 /nfs/dbraw/zinc/36/77/69/833367769.db2.gz JKNDHMLFRPFHDH-CABCVRRESA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)N(C)C ZINC001185715692 833367971 /nfs/dbraw/zinc/36/79/71/833367971.db2.gz JEYMBBXQYZESAP-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519900 829152293 /nfs/dbraw/zinc/15/22/93/829152293.db2.gz NBAKFZZQWPCQLR-ZBUZPQQSSA-N 1 3 338.452 -0.530 20 0 EBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519900 829152299 /nfs/dbraw/zinc/15/22/99/829152299.db2.gz NBAKFZZQWPCQLR-ZBUZPQQSSA-N 1 3 338.452 -0.530 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001185724246 833368272 /nfs/dbraw/zinc/36/82/72/833368272.db2.gz WERWTWKTDBPGBR-OLZOCXBDSA-N 1 3 338.452 -0.040 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)NCC1CC1 ZINC001131519863 829152790 /nfs/dbraw/zinc/15/27/90/829152790.db2.gz LPTWOUXMZYYXGG-UUCFBXCCSA-N 1 3 336.436 -0.918 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)NCC1CC1 ZINC001131519863 829152793 /nfs/dbraw/zinc/15/27/93/829152793.db2.gz LPTWOUXMZYYXGG-UUCFBXCCSA-N 1 3 336.436 -0.918 20 0 EBADHO CNC(=O)CN[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185742521 833369192 /nfs/dbraw/zinc/36/91/92/833369192.db2.gz MGIPAZMXGCEVID-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790318 829217904 /nfs/dbraw/zinc/21/79/04/829217904.db2.gz LHGABWCPBCXDAS-ZYHUDNBSSA-N 1 3 325.413 -0.850 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790268 829218322 /nfs/dbraw/zinc/21/83/22/829218322.db2.gz KGRUFSPFXBNRGX-ZDUSSCGKSA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001131845299 829245045 /nfs/dbraw/zinc/24/50/45/829245045.db2.gz WHEIUYLEODZJHD-LLVKDONJSA-N 1 3 327.429 -0.460 20 0 EBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616464 833408952 /nfs/dbraw/zinc/40/89/52/833408952.db2.gz SMXFUSPPSVWAMR-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886849 829544853 /nfs/dbraw/zinc/54/48/53/829544853.db2.gz UPONVGUKEYAHCQ-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886849 829544857 /nfs/dbraw/zinc/54/48/57/829544857.db2.gz UPONVGUKEYAHCQ-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001132886112 829545142 /nfs/dbraw/zinc/54/51/42/829545142.db2.gz COFFPKOVWWEPSM-RYUDHWBXSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001132886112 829545148 /nfs/dbraw/zinc/54/51/48/829545148.db2.gz COFFPKOVWWEPSM-RYUDHWBXSA-N 1 3 339.440 -0.589 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994918 829568424 /nfs/dbraw/zinc/56/84/24/829568424.db2.gz FWFHJHXUBFYZCX-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001133040499 829577868 /nfs/dbraw/zinc/57/78/68/829577868.db2.gz UBIKPCGJUQATMJ-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051918 829578903 /nfs/dbraw/zinc/57/89/03/829578903.db2.gz UZJKMZHVOCIQBS-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285948 829615148 /nfs/dbraw/zinc/61/51/48/829615148.db2.gz PMGAMHYQUDBCNA-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[C@@H](C(=O)NCCNCCN1CCCS1(=O)=O)[NH+](CC)CC ZINC001133683989 829661042 /nfs/dbraw/zinc/66/10/42/829661042.db2.gz BGIJFWUSQLIJJJ-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833923 829680695 /nfs/dbraw/zinc/68/06/95/829680695.db2.gz JPKPLHPEPZRICF-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833923 829680700 /nfs/dbraw/zinc/68/07/00/829680700.db2.gz JPKPLHPEPZRICF-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133834378 829682231 /nfs/dbraw/zinc/68/22/31/829682231.db2.gz VXBISGXDKHLXFV-GJZGRUSLSA-N 1 3 343.468 -0.267 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869125 829690514 /nfs/dbraw/zinc/69/05/14/829690514.db2.gz BIDPNCPPBUNWAF-NEPJUHHUSA-N 1 3 327.429 -0.874 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869125 829690518 /nfs/dbraw/zinc/69/05/18/829690518.db2.gz BIDPNCPPBUNWAF-NEPJUHHUSA-N 1 3 327.429 -0.874 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896724 829695570 /nfs/dbraw/zinc/69/55/70/829695570.db2.gz QLMNTYWNSMCHMQ-CABCVRRESA-N 1 3 345.484 -0.164 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001134020436 829713218 /nfs/dbraw/zinc/71/32/18/829713218.db2.gz AQBJPMRNCKWMHO-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO C[N@@H+]1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126565 829729357 /nfs/dbraw/zinc/72/93/57/829729357.db2.gz XWFUCFSJPGLJEK-OWCLPIDISA-N 1 3 330.432 -0.074 20 0 EBADHO C[N@H+]1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126565 829729362 /nfs/dbraw/zinc/72/93/62/829729362.db2.gz XWFUCFSJPGLJEK-OWCLPIDISA-N 1 3 330.432 -0.074 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611727 829804228 /nfs/dbraw/zinc/80/42/28/829804228.db2.gz AWTQRIYPBAHNHB-NWDGAFQWSA-N 1 3 341.456 -0.201 20 0 EBADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774268 829843933 /nfs/dbraw/zinc/84/39/33/829843933.db2.gz WZQRUOSPZSEUSW-MNOVXSKESA-N 1 3 329.445 -0.216 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780812 829845305 /nfs/dbraw/zinc/84/53/05/829845305.db2.gz XHGYWCYLKYHPCO-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CCN2CCN(C)CC2)O1 ZINC001143237883 830146432 /nfs/dbraw/zinc/14/64/32/830146432.db2.gz VAQDJQDNEGVWCN-IIAWOOMASA-N 1 3 328.457 -0.535 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146590952 830212071 /nfs/dbraw/zinc/21/20/71/830212071.db2.gz DXHFWXOTCYIFAY-NWDGAFQWSA-N 1 3 329.445 -0.345 20 0 EBADHO CCC[NH+](CCC)CCCC(=O)NCCNCC(=O)NC(N)=O ZINC001147449334 830344944 /nfs/dbraw/zinc/34/49/44/830344944.db2.gz OHLMWYCSQRAVJT-UHFFFAOYSA-N 1 3 329.445 -0.211 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824384 830416482 /nfs/dbraw/zinc/41/64/82/830416482.db2.gz JDPMELNTYWMUEY-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001147842289 830418757 /nfs/dbraw/zinc/41/87/57/830418757.db2.gz PXMUMLRIXWSKFF-UHFFFAOYSA-N 1 3 328.457 -0.327 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001147886602 830425961 /nfs/dbraw/zinc/42/59/61/830425961.db2.gz YMVGAEHUZUCCRI-LLVKDONJSA-N 1 3 325.413 -0.978 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001147886602 830425966 /nfs/dbraw/zinc/42/59/66/830425966.db2.gz YMVGAEHUZUCCRI-LLVKDONJSA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001147892948 830427104 /nfs/dbraw/zinc/42/71/04/830427104.db2.gz MAGAMJIDBZFYBV-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001147892948 830427107 /nfs/dbraw/zinc/42/71/07/830427107.db2.gz MAGAMJIDBZFYBV-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001147891528 830427141 /nfs/dbraw/zinc/42/71/41/830427141.db2.gz BGGSXTPCUIRNLN-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001147891528 830427144 /nfs/dbraw/zinc/42/71/44/830427144.db2.gz BGGSXTPCUIRNLN-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC1CCCC1 ZINC001147892434 830427207 /nfs/dbraw/zinc/42/72/07/830427207.db2.gz IDRRHHPIMIGDHV-ZDUSSCGKSA-N 1 3 328.457 -0.282 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[N@H+](C)CCC ZINC001148571102 830510272 /nfs/dbraw/zinc/51/02/72/830510272.db2.gz WGDUQSMXJHYAOX-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[N@@H+](C)CCC ZINC001148571102 830510279 /nfs/dbraw/zinc/51/02/79/830510279.db2.gz WGDUQSMXJHYAOX-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCCCOC ZINC001148578463 830511514 /nfs/dbraw/zinc/51/15/14/830511514.db2.gz UFXJXYSJYJROFP-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCCCOC ZINC001148578463 830511526 /nfs/dbraw/zinc/51/15/26/830511526.db2.gz UFXJXYSJYJROFP-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148604943 830516070 /nfs/dbraw/zinc/51/60/70/830516070.db2.gz KVDGEYIPVWSRPM-HNNXBMFYSA-N 1 3 325.453 -0.129 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148604943 830516080 /nfs/dbraw/zinc/51/60/80/830516080.db2.gz KVDGEYIPVWSRPM-HNNXBMFYSA-N 1 3 325.453 -0.129 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001148654871 830524141 /nfs/dbraw/zinc/52/41/41/830524141.db2.gz CSCPBUAIKGYMAI-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001148655123 830525079 /nfs/dbraw/zinc/52/50/79/830525079.db2.gz IDNOTNWDBBWZCF-LBPRGKRZSA-N 1 3 329.445 -0.343 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001149937505 830786777 /nfs/dbraw/zinc/78/67/77/830786777.db2.gz TXEIZEGMQCEXLK-HUUCEWRRSA-N 1 3 345.484 -0.069 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001149937505 830786781 /nfs/dbraw/zinc/78/67/81/830786781.db2.gz TXEIZEGMQCEXLK-HUUCEWRRSA-N 1 3 345.484 -0.069 20 0 EBADHO COC[C@H](C)N1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587752 830938459 /nfs/dbraw/zinc/93/84/59/830938459.db2.gz JPBHQFARCLTWET-LSDHHAIUSA-N 1 3 331.457 -0.193 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779233 830983174 /nfs/dbraw/zinc/98/31/74/830983174.db2.gz QKTGTRYOSOILKF-LSDHHAIUSA-N 1 3 331.457 -0.459 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779233 830983176 /nfs/dbraw/zinc/98/31/76/830983176.db2.gz QKTGTRYOSOILKF-LSDHHAIUSA-N 1 3 331.457 -0.459 20 0 EBADHO COc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001151066108 831020864 /nfs/dbraw/zinc/02/08/64/831020864.db2.gz QFCMBDQPKCELBA-OAHLLOKOSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001151066108 831020873 /nfs/dbraw/zinc/02/08/73/831020873.db2.gz QFCMBDQPKCELBA-OAHLLOKOSA-N 1 3 348.447 -0.031 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073920 831022854 /nfs/dbraw/zinc/02/28/54/831022854.db2.gz SNJZANXKEOFSPS-GHMZBOCLSA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073920 831022863 /nfs/dbraw/zinc/02/28/63/831022863.db2.gz SNJZANXKEOFSPS-GHMZBOCLSA-N 1 3 325.413 -0.979 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145897 831134130 /nfs/dbraw/zinc/13/41/30/831134130.db2.gz FXCTXGOEDJRQLJ-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152433021 831162953 /nfs/dbraw/zinc/16/29/53/831162953.db2.gz QUBFPASLQHAPLS-UHFFFAOYSA-N 1 3 337.486 -0.516 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O)N(C)C ZINC001155289463 831398914 /nfs/dbraw/zinc/39/89/14/831398914.db2.gz UJVBCQGJVQQPNT-OLZOCXBDSA-N 1 3 341.456 -0.295 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCN1C(=O)CNC1=O)N(C)C ZINC001155289463 831398917 /nfs/dbraw/zinc/39/89/17/831398917.db2.gz UJVBCQGJVQQPNT-OLZOCXBDSA-N 1 3 341.456 -0.295 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001155789922 831430349 /nfs/dbraw/zinc/43/03/49/831430349.db2.gz HWIJHTSDFQKXEH-SNVBAGLBSA-N 1 3 326.426 -0.333 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001155790683 831430324 /nfs/dbraw/zinc/43/03/24/831430324.db2.gz MABIGWMASQOBIL-LBPRGKRZSA-N 1 3 325.413 -0.835 20 0 EBADHO Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@H]3CCCN3C)C2=O)cn1 ZINC001155813562 831432307 /nfs/dbraw/zinc/43/23/07/831432307.db2.gz SDKXHADAXUCSJW-HUUCEWRRSA-N 1 3 348.451 -0.285 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001157324544 831553520 /nfs/dbraw/zinc/55/35/20/831553520.db2.gz ZWUAAKYTJZFKMR-HEHGZKQESA-N 1 3 326.441 -0.495 20 0 EBADHO N[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1F ZINC001157544467 831578513 /nfs/dbraw/zinc/57/85/13/831578513.db2.gz FGQANYVXDYOUJM-UGUYLWEFSA-N 1 3 348.422 -0.027 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2cncnc2C1 ZINC001157716144 831587008 /nfs/dbraw/zinc/58/70/08/831587008.db2.gz LFMVKCBWNKQRJU-ZFWWWQNUSA-N 1 3 346.435 -0.234 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC001157988319 831616029 /nfs/dbraw/zinc/61/60/29/831616029.db2.gz DOWDHJIGISJHDZ-ZFWWWQNUSA-N 1 3 348.451 -0.258 20 0 EBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001158008079 831618921 /nfs/dbraw/zinc/61/89/21/831618921.db2.gz YBQABRLSPGWDNH-KBPBESRZSA-N 1 3 328.457 -0.155 20 0 EBADHO CN[C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@@H](C)OC(C)(C)C ZINC001158091504 831627260 /nfs/dbraw/zinc/62/72/60/831627260.db2.gz DMEIPOOLIHMZNZ-FFSVYQOJSA-N 1 3 326.441 -0.532 20 0 EBADHO O=C(c1ccc2c(c1)CNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120604 831631034 /nfs/dbraw/zinc/63/10/34/831631034.db2.gz RGHXWOQENFDVDA-SFHVURJKSA-N 1 3 326.400 -0.159 20 0 EBADHO N[C@@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001158180069 831636864 /nfs/dbraw/zinc/63/68/64/831636864.db2.gz SJJBASSDJJXZSD-RBSFLKMASA-N 1 3 339.436 -0.306 20 0 EBADHO NCc1ccc(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cn1 ZINC001158286158 831643777 /nfs/dbraw/zinc/64/37/77/831643777.db2.gz REQMGRKIBHJZGI-UHFFFAOYSA-N 1 3 327.392 -0.134 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319633 831645821 /nfs/dbraw/zinc/64/58/21/831645821.db2.gz KLGMMNXHDLZARP-CABCVRRESA-N 1 3 326.400 -0.165 20 0 EBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001158414626 831652192 /nfs/dbraw/zinc/65/21/92/831652192.db2.gz GXVNCLYGUSUCFY-CKEIUWERSA-N 1 3 339.436 -0.116 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545663 831664468 /nfs/dbraw/zinc/66/44/68/831664468.db2.gz HWAQAWMPBPIKML-GMIGGYDBSA-N 1 3 336.436 -0.696 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934972 831697674 /nfs/dbraw/zinc/69/76/74/831697674.db2.gz LZSPXOYTBNBOIF-SOUVJXGZSA-N 1 3 331.420 -0.150 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159494007 831756500 /nfs/dbraw/zinc/75/65/00/831756500.db2.gz SKKWMOKSQRRIEV-ZFWWWQNUSA-N 1 3 348.451 -0.470 20 0 EBADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H](N)CN)CC[C@@H]21 ZINC001159534828 831759430 /nfs/dbraw/zinc/75/94/30/831759430.db2.gz RJTTYHSPTQQPMG-UGUYLWEFSA-N 1 3 334.468 -0.131 20 0 EBADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H](N)CN)CC[C@@H]21 ZINC001159534828 831759434 /nfs/dbraw/zinc/75/94/34/831759434.db2.gz RJTTYHSPTQQPMG-UGUYLWEFSA-N 1 3 334.468 -0.131 20 0 EBADHO [NH3+]CCCNCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668018 831771427 /nfs/dbraw/zinc/77/14/27/831771427.db2.gz WJHAWMSHUZWDJW-IAGOWNOFSA-N 1 3 347.463 -0.178 20 0 EBADHO N[C@@H](CC[NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667852 831772098 /nfs/dbraw/zinc/77/20/98/831772098.db2.gz VKQCCWHGXBRYEV-JYJNAYRXSA-N 1 3 333.436 -0.441 20 0 EBADHO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2C[NH2+]CC23CNC3)O1 ZINC001159769847 831781431 /nfs/dbraw/zinc/78/14/31/831781431.db2.gz PLHPSOSOJBUTLC-TUVASFSCSA-N 1 3 348.447 -0.920 20 0 EBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854642 831788553 /nfs/dbraw/zinc/78/85/53/831788553.db2.gz PGFODSZIZJZASL-LSDHHAIUSA-N 1 3 345.484 -0.021 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)CCO1 ZINC001159861712 831788578 /nfs/dbraw/zinc/78/85/78/831788578.db2.gz QGJPYOCPGVTGAZ-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915794 831796817 /nfs/dbraw/zinc/79/68/17/831796817.db2.gz NWVDDUWMANAKNG-CQSZACIVSA-N 1 3 341.456 -0.342 20 0 EBADHO O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001159930856 831799145 /nfs/dbraw/zinc/79/91/45/831799145.db2.gz YDGGKMRNBJDCHC-FHBSJOOWSA-N 1 3 344.415 -0.304 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932459 831799795 /nfs/dbraw/zinc/79/97/95/831799795.db2.gz RSFGBLKCZXLPFT-PWSUYJOCSA-N 1 3 327.429 -0.733 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997312 831804816 /nfs/dbraw/zinc/80/48/16/831804816.db2.gz LLKKYYMBPMNTKW-ZBFHGGJFSA-N 1 3 345.484 -0.021 20 0 EBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CCO2 ZINC001160178227 831821818 /nfs/dbraw/zinc/82/18/18/831821818.db2.gz GNVBMEHXUUXORF-WMLDXEAASA-N 1 3 336.436 -0.965 20 0 EBADHO COCCN(C(=O)[C@H](N)CCCNC(N)=O)C1CC[NH+](C)CC1 ZINC001160439011 831851077 /nfs/dbraw/zinc/85/10/77/831851077.db2.gz FPHYLNJWHDWVGL-CYBMUJFWSA-N 1 3 329.445 -0.669 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(C)CC[NH+]2CCCC2)COC1(C)C ZINC001160687888 831878433 /nfs/dbraw/zinc/87/84/33/831878433.db2.gz JZLQBDARMQSPMA-STQMWFEESA-N 1 3 326.441 -0.149 20 0 EBADHO O=C(NCCC1=CC[N@H+](CCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001160754206 831882596 /nfs/dbraw/zinc/88/25/96/831882596.db2.gz DHAMHECZRHQHBS-PQUAAJSLSA-N 1 3 335.448 -0.020 20 0 EBADHO O=C(NCCC1=CC[N@@H+](CCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001160754206 831882602 /nfs/dbraw/zinc/88/26/02/831882602.db2.gz DHAMHECZRHQHBS-PQUAAJSLSA-N 1 3 335.448 -0.020 20 0 EBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772524 831885002 /nfs/dbraw/zinc/88/50/02/831885002.db2.gz TVYRRELESBRLDM-CYBMUJFWSA-N 1 3 336.436 -0.632 20 0 EBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772524 831885006 /nfs/dbraw/zinc/88/50/06/831885006.db2.gz TVYRRELESBRLDM-CYBMUJFWSA-N 1 3 336.436 -0.632 20 0 EBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160806550 831889348 /nfs/dbraw/zinc/88/93/48/831889348.db2.gz QSPPKOZQKAZHHF-LBPRGKRZSA-N 1 3 337.424 -0.099 20 0 EBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160825042 831891945 /nfs/dbraw/zinc/89/19/45/831891945.db2.gz RZKPCLXXWRLLFU-JSGCOSHPSA-N 1 3 335.408 -0.275 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001160883694 831903054 /nfs/dbraw/zinc/90/30/54/831903054.db2.gz UMIGATJVULKJAP-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C ZINC001160889267 831903824 /nfs/dbraw/zinc/90/38/24/831903824.db2.gz GKSGJWCAGBHBKO-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)ncn1 ZINC001161092866 831923314 /nfs/dbraw/zinc/92/33/14/831923314.db2.gz CYNZODULTFYAQA-NSHDSACASA-N 1 3 340.453 -0.847 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161239101 831939481 /nfs/dbraw/zinc/93/94/81/831939481.db2.gz GPVLYAYIYZXTRC-XHDPSFHLSA-N 1 3 338.387 -0.787 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269523 831943279 /nfs/dbraw/zinc/94/32/79/831943279.db2.gz HALPQDYIUGZIPL-CYBMUJFWSA-N 1 3 332.470 -0.531 20 0 EBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)nc1 ZINC001161298203 831945214 /nfs/dbraw/zinc/94/52/14/831945214.db2.gz ILMXPAGCVKKLAJ-YPMHNXCESA-N 1 3 333.392 -0.726 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313543 831946855 /nfs/dbraw/zinc/94/68/55/831946855.db2.gz PCMQGPRLTZMCKZ-CYBMUJFWSA-N 1 3 335.383 -0.206 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377999 831951463 /nfs/dbraw/zinc/95/14/63/831951463.db2.gz KHWHBXVGRMYYDT-CFVMTHIKSA-N 1 3 337.468 -0.651 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413548 831955809 /nfs/dbraw/zinc/95/58/09/831955809.db2.gz QKXWCZANXLGPIR-FQUUOJAGSA-N 1 3 346.435 -0.490 20 0 EBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161450065 831959107 /nfs/dbraw/zinc/95/91/07/831959107.db2.gz ZJBYWWPOTQIDCH-XPABHHOTSA-N 1 3 340.468 -0.740 20 0 EBADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592570 831975768 /nfs/dbraw/zinc/97/57/68/831975768.db2.gz XLGONSBHHDKZTD-MRXNPFEDSA-N 1 3 342.443 -0.062 20 0 EBADHO O=C(C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)NC1CC1 ZINC001162872451 832068234 /nfs/dbraw/zinc/06/82/34/832068234.db2.gz SHXGECGCMDGJCF-KDJCLPLCSA-N 1 3 336.436 -0.776 20 0 EBADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872108 832068446 /nfs/dbraw/zinc/06/84/46/832068446.db2.gz GWPKDSOPCMNTLQ-XOYHFGRZSA-N 1 3 338.452 -0.576 20 0 EBADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001165485580 832223181 /nfs/dbraw/zinc/22/31/81/832223181.db2.gz ZKAVUUGWFWFIBB-ZDUSSCGKSA-N 1 3 339.440 -0.602 20 0 EBADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001165718294 832234452 /nfs/dbraw/zinc/23/44/52/832234452.db2.gz HXXAEBDBANWNPG-LLVKDONJSA-N 1 3 327.429 -0.602 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001166626822 832274546 /nfs/dbraw/zinc/27/45/46/832274546.db2.gz KGNXMDCYMJGSNP-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001166626823 832274586 /nfs/dbraw/zinc/27/45/86/832274586.db2.gz KGNXMDCYMJGSNP-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001166626821 832275266 /nfs/dbraw/zinc/27/52/66/832275266.db2.gz KGNXMDCYMJGSNP-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668178 832278254 /nfs/dbraw/zinc/27/82/54/832278254.db2.gz UKBSXYLZCIUURF-CYBMUJFWSA-N 1 3 341.456 -0.340 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166676632 832278866 /nfs/dbraw/zinc/27/88/66/832278866.db2.gz ABRHYBNEVONZDB-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765296 832286785 /nfs/dbraw/zinc/28/67/85/832286785.db2.gz WPTADRMLKWCSJS-UHFFFAOYSA-N 1 3 342.484 -0.033 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001166857359 832293950 /nfs/dbraw/zinc/29/39/50/832293950.db2.gz DBUDDAFJODVCGU-AWEZNQCLSA-N 1 3 328.457 -0.282 20 0 EBADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167814894 832377370 /nfs/dbraw/zinc/37/73/70/832377370.db2.gz JOWOYFVTOMDYBP-UHFFFAOYSA-N 1 3 327.429 -0.601 20 0 EBADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001168345291 832415770 /nfs/dbraw/zinc/41/57/70/832415770.db2.gz NYAOOFVLQMVBMX-LBPRGKRZSA-N 1 3 341.456 -0.214 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001353314196 832421396 /nfs/dbraw/zinc/42/13/96/832421396.db2.gz YHEMPRHMHJQIGS-MGPQQGTHSA-N 1 3 325.457 -0.164 20 0 EBADHO O=C(N[C@H]1CCCN2CCSC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001353467656 832429363 /nfs/dbraw/zinc/42/93/63/832429363.db2.gz PELWFNLJEDHQAU-UONOGXRCSA-N 1 3 327.498 -0.229 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168747109 832434228 /nfs/dbraw/zinc/43/42/28/832434228.db2.gz FHLVKQCQVOFNOH-LBPRGKRZSA-N 1 3 329.445 -0.342 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001168763964 832435658 /nfs/dbraw/zinc/43/56/58/832435658.db2.gz VNMYCHZFBOVURX-ZDUSSCGKSA-N 1 3 343.472 -0.983 20 0 EBADHO Cc1cn(CC(=O)NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c(=O)[nH]c1=O ZINC001169107129 832449010 /nfs/dbraw/zinc/44/90/10/832449010.db2.gz DPUJCUJDJWDYME-BTTYYORXSA-N 1 3 349.435 -0.412 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246524 832553503 /nfs/dbraw/zinc/55/35/03/832553503.db2.gz FNXAEXOPYAYOFQ-FZMZJTMJSA-N 1 3 341.456 -0.214 20 0 EBADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001171509205 832561717 /nfs/dbraw/zinc/56/17/17/832561717.db2.gz NCJMBYXDJPZHGM-VXGBXAGGSA-N 1 3 329.445 -0.214 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174691917 832594115 /nfs/dbraw/zinc/59/41/15/832594115.db2.gz NOOIGILHSFTIGN-ZDUSSCGKSA-N 1 3 328.413 -0.620 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001176049855 832654419 /nfs/dbraw/zinc/65/44/19/832654419.db2.gz ZINPTDRMRBRIHX-SNVBAGLBSA-N 1 3 326.426 -0.476 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001176049855 832654421 /nfs/dbraw/zinc/65/44/21/832654421.db2.gz ZINPTDRMRBRIHX-SNVBAGLBSA-N 1 3 326.426 -0.476 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001176972247 832722587 /nfs/dbraw/zinc/72/25/87/832722587.db2.gz SMCCCBFBCVUHJN-UHFFFAOYSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001176975065 832723280 /nfs/dbraw/zinc/72/32/80/832723280.db2.gz JTYZLURHSVFKBC-AWEZNQCLSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176986035 832726086 /nfs/dbraw/zinc/72/60/86/832726086.db2.gz CHJZSPJRFLPCEW-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CNC(=O)CN[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001178721410 832904358 /nfs/dbraw/zinc/90/43/58/832904358.db2.gz DJXLFLFWRGQWMC-STQMWFEESA-N 1 3 336.440 -0.617 20 0 EBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001179178909 832957799 /nfs/dbraw/zinc/95/77/99/832957799.db2.gz DGJYRRYLZXSOSQ-FEPWIYDJSA-N 1 3 336.436 -0.825 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431073 832978068 /nfs/dbraw/zinc/97/80/68/832978068.db2.gz NGOXFCPYPXLWAN-QWRGUYRKSA-N 1 3 325.413 -0.898 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486705 832982076 /nfs/dbraw/zinc/98/20/76/832982076.db2.gz PYYSEUZMMYADQN-WOPDTQHZSA-N 1 3 327.429 -0.639 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534718 832985502 /nfs/dbraw/zinc/98/55/02/832985502.db2.gz SNLXNYAFMIKUPE-AGIUHOORSA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187127455 833904944 /nfs/dbraw/zinc/90/49/44/833904944.db2.gz UKTRWPZIRVQVPC-NWDGAFQWSA-N 1 3 337.424 -0.883 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001187321929 833919413 /nfs/dbraw/zinc/91/94/13/833919413.db2.gz IPXYDHPUNYRULS-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001187323095 833919525 /nfs/dbraw/zinc/91/95/25/833919525.db2.gz YDMDVUDQPBJVOF-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187826405 833971343 /nfs/dbraw/zinc/97/13/43/833971343.db2.gz ZOLUPQRRZOLOGE-CHWSQXEVSA-N 1 3 332.470 -0.980 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001187826405 833971346 /nfs/dbraw/zinc/97/13/46/833971346.db2.gz ZOLUPQRRZOLOGE-CHWSQXEVSA-N 1 3 332.470 -0.980 20 0 EBADHO CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106435 834004310 /nfs/dbraw/zinc/00/43/10/834004310.db2.gz LPIGNJHOKWEDMU-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194027046 835000844 /nfs/dbraw/zinc/00/08/44/835000844.db2.gz OVQCNYNDJVTENO-HZPDHXFCSA-N 1 3 335.452 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EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201801397 836195249 /nfs/dbraw/zinc/19/52/49/836195249.db2.gz XWCXYXQROAJPTK-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201801397 836195257 /nfs/dbraw/zinc/19/52/57/836195257.db2.gz XWCXYXQROAJPTK-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863273 836207768 /nfs/dbraw/zinc/20/77/68/836207768.db2.gz JZGQKEBKONRJGP-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863273 836207774 /nfs/dbraw/zinc/20/77/74/836207774.db2.gz JZGQKEBKONRJGP-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863271 836208031 /nfs/dbraw/zinc/20/80/31/836208031.db2.gz JZGQKEBKONRJGP-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863271 836208036 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EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001202163617 836266884 /nfs/dbraw/zinc/26/68/84/836266884.db2.gz HQOPYOJPIROXKO-GJZGRUSLSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001202165496 836267256 /nfs/dbraw/zinc/26/72/56/836267256.db2.gz RKXIKPFJRKQHFL-HNNXBMFYSA-N 1 3 338.456 -0.175 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(=O)NC(N)=O ZINC001202504694 836308287 /nfs/dbraw/zinc/30/82/87/836308287.db2.gz VPDIOOBZPQQSBB-RYUDHWBXSA-N 1 3 339.440 -0.508 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001203010637 836383930 /nfs/dbraw/zinc/38/39/30/836383930.db2.gz VHPCHODXIGQEEA-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001203456326 836434109 /nfs/dbraw/zinc/43/41/09/836434109.db2.gz VQFGUHNRBXALPQ-UHFFFAOYSA-N 1 3 348.513 -0.200 20 0 EBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001205345740 836560385 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EBADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001208334969 836999483 /nfs/dbraw/zinc/99/94/83/836999483.db2.gz OXMTZEQVCUEQBA-ZIAGYGMSSA-N 1 3 346.497 -0.544 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001208334105 837000001 /nfs/dbraw/zinc/00/00/01/837000001.db2.gz FOTYODMUGMJUOR-DGCLKSJQSA-N 1 3 325.413 -0.898 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001208334107 837000100 /nfs/dbraw/zinc/00/01/00/837000100.db2.gz FOTYODMUGMJUOR-YPMHNXCESA-N 1 3 325.413 -0.898 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209443789 837165770 /nfs/dbraw/zinc/16/57/70/837165770.db2.gz BHWANGFUNLALMS-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@H](N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001209419503 837166381 /nfs/dbraw/zinc/16/63/81/837166381.db2.gz NDKIUTQEIPKVGG-AAEUAGOBSA-N 1 3 339.440 -0.508 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419146 837166391 /nfs/dbraw/zinc/16/63/91/837166391.db2.gz JMBXCGJQWYAPEZ-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210789004 837331455 /nfs/dbraw/zinc/33/14/55/837331455.db2.gz LRRYTGLGPPAAMA-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210811420 837334200 /nfs/dbraw/zinc/33/42/00/837334200.db2.gz NSHFUWRRZXOKOP-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CN(CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCCN1C)S(C)(=O)=O ZINC001321121119 838912074 /nfs/dbraw/zinc/91/20/74/838912074.db2.gz QNANRHAEQDDPIX-VBROQKIQSA-N 1 3 346.497 -0.376 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001321416208 838986876 /nfs/dbraw/zinc/98/68/76/838986876.db2.gz HGRMGXAYVRUOLA-VSZDKKFSSA-N 1 3 336.436 -0.070 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCSC1 ZINC001321510057 839006938 /nfs/dbraw/zinc/00/69/38/839006938.db2.gz UPGDUCPGRLJDSD-BBRMVZONSA-N 1 3 342.509 -0.050 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001323075812 839342167 /nfs/dbraw/zinc/34/21/67/839342167.db2.gz YJDSDHGZDAYGNC-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001323075812 839342181 /nfs/dbraw/zinc/34/21/81/839342181.db2.gz YJDSDHGZDAYGNC-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC001326182063 840058238 /nfs/dbraw/zinc/05/82/38/840058238.db2.gz DGNQVYHXLJGSCN-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC001326993386 840264987 /nfs/dbraw/zinc/26/49/87/840264987.db2.gz DZPBCAMQOCDWEW-LSDHHAIUSA-N 1 3 342.484 -0.178 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331620346 841442151 /nfs/dbraw/zinc/44/21/51/841442151.db2.gz UZPWCVOVCHEUDS-SOUVJXGZSA-N 1 3 339.484 -0.770 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333169906 841812479 /nfs/dbraw/zinc/81/24/79/841812479.db2.gz MURHXZZRUZFBKM-AWEZNQCLSA-N 1 3 337.468 -0.826 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001334185382 842006500 /nfs/dbraw/zinc/00/65/00/842006500.db2.gz CCPSHPUVJATPAN-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO O[C@H](C[NH2+]CCN1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC001335317550 842258725 /nfs/dbraw/zinc/25/87/25/842258725.db2.gz OFKQHVKLULGKNT-MRXNPFEDSA-N 1 3 334.468 -0.355 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001336631532 842520754 /nfs/dbraw/zinc/52/07/54/842520754.db2.gz OQLKDHAOSFQCGG-OLZOCXBDSA-N 1 3 326.441 -0.543 20 0 EBADHO CN1CCN(CCCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343454704 843238699 /nfs/dbraw/zinc/23/86/99/843238699.db2.gz WSXATSSBIQYFEV-HNNXBMFYSA-N 1 3 339.484 -0.673 20 0 EBADHO C[C@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC001346583460 843534562 /nfs/dbraw/zinc/53/45/62/843534562.db2.gz HTBRVAUNNZANRU-INIZCTEOSA-N 1 3 341.500 -0.230 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CN2CCN1C[C@@H]2C ZINC001347107822 843592986 /nfs/dbraw/zinc/59/29/86/843592986.db2.gz DBTPXGXZNSWDHN-JYJNAYRXSA-N 1 3 325.501 -0.237 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001348714505 843740621 /nfs/dbraw/zinc/74/06/21/843740621.db2.gz MURHXZZRUZFBKM-CQSZACIVSA-N 1 3 337.468 -0.826 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001349807835 843939718 /nfs/dbraw/zinc/93/97/18/843939718.db2.gz JTUGGUBTCLXVMT-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001691171015 1125840598 /nfs/dbraw/zinc/84/05/98/1125840598.db2.gz LOCUIJXNKUKXBR-AWEZNQCLSA-N 1 3 338.452 -0.086 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001691171015 1125840601 /nfs/dbraw/zinc/84/06/01/1125840601.db2.gz LOCUIJXNKUKXBR-AWEZNQCLSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001691324396 1125851216 /nfs/dbraw/zinc/85/12/16/1125851216.db2.gz DTVDRFBPZFPZFR-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001691324396 1125851217 /nfs/dbraw/zinc/85/12/17/1125851217.db2.gz DTVDRFBPZFPZFR-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506417 1126005010 /nfs/dbraw/zinc/00/50/10/1126005010.db2.gz CRIKVDQJMBNGGM-STQMWFEESA-N 1 3 339.440 -0.554 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506417 1126005012 /nfs/dbraw/zinc/00/50/12/1126005012.db2.gz CRIKVDQJMBNGGM-STQMWFEESA-N 1 3 339.440 -0.554 20 0 EBADHO C[C@@H](C(=O)N(C)CCNCCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001691500255 1126030485 /nfs/dbraw/zinc/03/04/85/1126030485.db2.gz LIPRMQGYTKIDSL-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001481820828 1126059202 /nfs/dbraw/zinc/05/92/02/1126059202.db2.gz JWWPZYLCKIURRG-NEPJUHHUSA-N 1 3 327.429 -0.460 20 0 EBADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001481820828 1126059205 /nfs/dbraw/zinc/05/92/05/1126059205.db2.gz JWWPZYLCKIURRG-NEPJUHHUSA-N 1 3 327.429 -0.460 20 0 EBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@@H](C)C1 ZINC001481847838 1126061383 /nfs/dbraw/zinc/06/13/83/1126061383.db2.gz JBACZPUELXOTTM-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284682 1126119159 /nfs/dbraw/zinc/11/91/59/1126119159.db2.gz QJLFGXBCXUHGNF-LBPRGKRZSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316186 1126129594 /nfs/dbraw/zinc/12/95/94/1126129594.db2.gz FRMGQBGMMVYPJZ-NSHDSACASA-N 1 3 327.429 -0.508 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482738371 1126272231 /nfs/dbraw/zinc/27/22/31/1126272231.db2.gz FCBQXZRUMGYCKM-KGLIPLIRSA-N 1 3 326.441 -0.840 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482738371 1126272233 /nfs/dbraw/zinc/27/22/33/1126272233.db2.gz FCBQXZRUMGYCKM-KGLIPLIRSA-N 1 3 326.441 -0.840 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790374 1126292066 /nfs/dbraw/zinc/29/20/66/1126292066.db2.gz AXRRINAQNZNIQV-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790374 1126292067 /nfs/dbraw/zinc/29/20/67/1126292067.db2.gz AXRRINAQNZNIQV-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001482924007 1126302702 /nfs/dbraw/zinc/30/27/02/1126302702.db2.gz CAYWHWYFJFHKLU-FRRDWIJNSA-N 1 3 341.456 -0.262 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001482924007 1126302704 /nfs/dbraw/zinc/30/27/04/1126302704.db2.gz CAYWHWYFJFHKLU-FRRDWIJNSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)C1CC[NH+](C)CC1 ZINC001482947518 1126305380 /nfs/dbraw/zinc/30/53/80/1126305380.db2.gz KWZGPIJNVDQADZ-UHFFFAOYSA-N 1 3 327.429 -0.778 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023275 1126314282 /nfs/dbraw/zinc/31/42/82/1126314282.db2.gz XBGLHGJKZLDIOH-GFSGRHGLSA-N 1 3 339.440 -0.294 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001483023275 1126314284 /nfs/dbraw/zinc/31/42/84/1126314284.db2.gz XBGLHGJKZLDIOH-GFSGRHGLSA-N 1 3 339.440 -0.294 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCOC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556862 1126321734 /nfs/dbraw/zinc/32/17/34/1126321734.db2.gz ZLPXCRFLRIJRHZ-HUUCEWRRSA-N 1 3 340.468 -0.471 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCOC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691556862 1126321735 /nfs/dbraw/zinc/32/17/35/1126321735.db2.gz ZLPXCRFLRIJRHZ-HUUCEWRRSA-N 1 3 340.468 -0.471 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001691603275 1126325261 /nfs/dbraw/zinc/32/52/61/1126325261.db2.gz XVGMTEBZTAJHIO-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001691603275 1126325262 /nfs/dbraw/zinc/32/52/62/1126325262.db2.gz XVGMTEBZTAJHIO-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NCC ZINC001483133178 1126343137 /nfs/dbraw/zinc/34/31/37/1126343137.db2.gz SGPWFJARJPSVPC-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NCC ZINC001483133178 1126343138 /nfs/dbraw/zinc/34/31/38/1126343138.db2.gz SGPWFJARJPSVPC-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001483167626 1126349349 /nfs/dbraw/zinc/34/93/49/1126349349.db2.gz RZMZVSPKLUVTNI-WOPDTQHZSA-N 1 3 329.445 -0.345 20 0 EBADHO CCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184975 1126351170 /nfs/dbraw/zinc/35/11/70/1126351170.db2.gz ZBGSDZOQAJDCDT-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)n1 ZINC001483734983 1126465456 /nfs/dbraw/zinc/46/54/56/1126465456.db2.gz JHPFVLXFCYRUGE-CYBMUJFWSA-N 1 3 348.451 -0.425 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001484491485 1126594082 /nfs/dbraw/zinc/59/40/82/1126594082.db2.gz RLZCBJJLWLKFEQ-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001484491485 1126594083 /nfs/dbraw/zinc/59/40/83/1126594083.db2.gz RLZCBJJLWLKFEQ-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484682824 1126620781 /nfs/dbraw/zinc/62/07/81/1126620781.db2.gz VVEPOHRUCFNBBF-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484682824 1126620782 /nfs/dbraw/zinc/62/07/82/1126620782.db2.gz VVEPOHRUCFNBBF-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001484686437 1126621732 /nfs/dbraw/zinc/62/17/32/1126621732.db2.gz UGAXXLDPWNDWFA-ZDUSSCGKSA-N 1 3 326.441 -0.767 20 0 EBADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001484695221 1126624498 /nfs/dbraw/zinc/62/44/98/1126624498.db2.gz AOSSYEGRGNJIEV-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO Cn1nncc1CNCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484871881 1126647827 /nfs/dbraw/zinc/64/78/27/1126647827.db2.gz KDFMUQKZHDVEMU-ZDUSSCGKSA-N 1 3 336.440 -0.478 20 0 EBADHO Cn1nncc1CNCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001484871881 1126647829 /nfs/dbraw/zinc/64/78/29/1126647829.db2.gz KDFMUQKZHDVEMU-ZDUSSCGKSA-N 1 3 336.440 -0.478 20 0 EBADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485147965 1126676682 /nfs/dbraw/zinc/67/66/82/1126676682.db2.gz SJXZQLNWCRKOEH-RYUDHWBXSA-N 1 3 341.456 -0.071 20 0 EBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCN1C(=O)CCC1=O ZINC001485343547 1126691213 /nfs/dbraw/zinc/69/12/13/1126691213.db2.gz GNLGGULJUXLOCK-CYBMUJFWSA-N 1 3 338.452 -0.086 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001493586632 1126879998 /nfs/dbraw/zinc/87/99/98/1126879998.db2.gz ZIRWDDHQQLLGMC-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC001486009522 1126983748 /nfs/dbraw/zinc/98/37/48/1126983748.db2.gz UDUDWPONUJXVPQ-LSDHHAIUSA-N 1 3 340.468 -0.450 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133363 1127044370 /nfs/dbraw/zinc/04/43/70/1127044370.db2.gz BJXVPNDPNLUHDT-OLZOCXBDSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCN(C)S(C)(=O)=O)C[C@@H]1C ZINC001486135593 1127044532 /nfs/dbraw/zinc/04/45/32/1127044532.db2.gz QNYKAMWUGMIPNW-UONOGXRCSA-N 1 3 348.513 -0.203 20 0 EBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486277915 1127073786 /nfs/dbraw/zinc/07/37/86/1127073786.db2.gz JVOATDBJAQPMOJ-CVEARBPZSA-N 1 3 335.452 -0.329 20 0 EBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486277917 1127074075 /nfs/dbraw/zinc/07/40/75/1127074075.db2.gz JVOATDBJAQPMOJ-HZPDHXFCSA-N 1 3 335.452 -0.329 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001486281809 1127078432 /nfs/dbraw/zinc/07/84/32/1127078432.db2.gz VHKGNTIDJONZIQ-OLZOCXBDSA-N 1 3 326.441 -0.842 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001486467498 1127180908 /nfs/dbraw/zinc/18/09/08/1127180908.db2.gz RKMSDLODNKKXBE-XIVSLSHWSA-N 1 3 327.429 -0.654 20 0 EBADHO CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144249 1127607385 /nfs/dbraw/zinc/60/73/85/1127607385.db2.gz BYHQQWBHWWYSOZ-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H](NCC(=O)N1CCCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155487 1127616966 /nfs/dbraw/zinc/61/69/66/1127616966.db2.gz IDSJLMVQBFPHBX-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](NCC(=O)N1CCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164678 1127623351 /nfs/dbraw/zinc/62/33/51/1127623351.db2.gz PFWWILPQXVBVKO-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975149 1127957319 /nfs/dbraw/zinc/95/73/19/1127957319.db2.gz HHOGYOCQJBGCOJ-QWRGUYRKSA-N 1 3 327.429 -0.652 20 0 EBADHO CCCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001411075341 1128003353 /nfs/dbraw/zinc/00/33/53/1128003353.db2.gz BGYHUZAQFYGYBD-KKUMJFAQSA-N 1 3 342.484 -0.348 20 0 EBADHO CCCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001411075341 1128003358 /nfs/dbraw/zinc/00/33/58/1128003358.db2.gz BGYHUZAQFYGYBD-KKUMJFAQSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001411135200 1128031502 /nfs/dbraw/zinc/03/15/02/1128031502.db2.gz XSXXMYWYFHRXDM-OAHLLOKOSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135441007 1128136651 /nfs/dbraw/zinc/13/66/51/1128136651.db2.gz XGJKSHZCWCGESX-GFCCVEGCSA-N 1 3 329.445 -0.212 20 0 EBADHO C[C@@H]([NH2+]C1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)CCO2)C(N)=O ZINC001093406689 1128339380 /nfs/dbraw/zinc/33/93/80/1128339380.db2.gz HIJQXKYFBJZCCK-SFYCDEOASA-N 1 3 349.435 -0.044 20 0 EBADHO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001093409221 1128339851 /nfs/dbraw/zinc/33/98/51/1128339851.db2.gz AQJRBNQNJAIHDF-UHFFFAOYSA-N 1 3 335.408 -0.433 20 0 EBADHO CC(C)[C@@H]1N(C(=O)Cc2c[nH]cn2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093467665 1128343152 /nfs/dbraw/zinc/34/31/52/1128343152.db2.gz VDIXZPRZPFWYMH-TXCZRRACSA-N 1 3 336.436 -0.089 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001488100904 1128617629 /nfs/dbraw/zinc/61/76/29/1128617629.db2.gz XMSIPATZFFYYQI-KGLIPLIRSA-N 1 3 340.468 -0.737 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001488729066 1128832679 /nfs/dbraw/zinc/83/26/79/1128832679.db2.gz BJNCAVOHBNHOLA-FRRDWIJNSA-N 1 3 339.440 -0.462 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001490852738 1129685324 /nfs/dbraw/zinc/68/53/24/1129685324.db2.gz ZXSONVZGBIMNGP-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001691742667 1129715295 /nfs/dbraw/zinc/71/52/95/1129715295.db2.gz FXPMCZSPIIOWKE-MELADBBJSA-N 1 3 346.497 -0.638 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937657 1129793163 /nfs/dbraw/zinc/79/31/63/1129793163.db2.gz OJGAAVXZGJTNIF-KGLIPLIRSA-N 1 3 340.468 -0.594 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937657 1129793169 /nfs/dbraw/zinc/79/31/69/1129793169.db2.gz OJGAAVXZGJTNIF-KGLIPLIRSA-N 1 3 340.468 -0.594 20 0 EBADHO CN1CC[NH+](C2CCN(C[C@H](O)C3(O)CCOCC3)CC2)CC1 ZINC001413050779 1129893117 /nfs/dbraw/zinc/89/31/17/1129893117.db2.gz UYPWQJCETJUQNE-INIZCTEOSA-N 1 3 327.469 -0.399 20 0 EBADHO C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@H]1C[NH+](C)C ZINC001413414779 1130078431 /nfs/dbraw/zinc/07/84/31/1130078431.db2.gz YOZJRQCNTNAGRE-NXEZZACHSA-N 1 3 338.412 -0.719 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001491078979 1130313974 /nfs/dbraw/zinc/31/39/74/1130313974.db2.gz CJXJNUYQMKGHGW-UPJWGTAASA-N 1 3 332.408 -0.396 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001491078979 1130313980 /nfs/dbraw/zinc/31/39/80/1130313980.db2.gz CJXJNUYQMKGHGW-UPJWGTAASA-N 1 3 332.408 -0.396 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001491073859 1130315461 /nfs/dbraw/zinc/31/54/61/1130315461.db2.gz WPBBWILNQCXNKC-KFWWJZLASA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)NC(N)=O ZINC001491496470 1130472058 /nfs/dbraw/zinc/47/20/58/1130472058.db2.gz XAFGCTCCXFVDHA-NSHDSACASA-N 1 3 325.413 -0.848 20 0 EBADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCN1CCNC1=O ZINC001491545288 1130495970 /nfs/dbraw/zinc/49/59/70/1130495970.db2.gz BIFZNIFXHDGGPN-CYBMUJFWSA-N 1 3 325.457 -0.020 20 0 EBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001480530720 1130826500 /nfs/dbraw/zinc/82/65/00/1130826500.db2.gz MYDFJCYFUNVPIP-GHMZBOCLSA-N 1 3 327.429 -0.591 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1O ZINC001413969927 1130873949 /nfs/dbraw/zinc/87/39/49/1130873949.db2.gz QKPWALJFKJECGO-QLFBSQMISA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1O ZINC001413969927 1130873957 /nfs/dbraw/zinc/87/39/57/1130873957.db2.gz QKPWALJFKJECGO-QLFBSQMISA-N 1 3 342.484 -0.254 20 0 EBADHO COC[C@@H]1CNCCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001357166882 1131055590 /nfs/dbraw/zinc/05/55/90/1131055590.db2.gz QBSDQDLSYMGWDC-HNNXBMFYSA-N 1 3 327.473 -0.356 20 0 EBADHO C[C@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001365870739 1132848406 /nfs/dbraw/zinc/84/84/06/1132848406.db2.gz GTEYSNWVOOLJEW-NSHDSACASA-N 1 3 335.408 -0.635 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001366092841 1132999576 /nfs/dbraw/zinc/99/95/76/1132999576.db2.gz OSDFVINMPJBEMH-IHRRRGAJSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001366092841 1132999579 /nfs/dbraw/zinc/99/95/79/1132999579.db2.gz OSDFVINMPJBEMH-IHRRRGAJSA-N 1 3 331.482 -0.048 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001366096210 1133001020 /nfs/dbraw/zinc/00/10/20/1133001020.db2.gz ARDYFWQGIUKJCB-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366112153 1133011435 /nfs/dbraw/zinc/01/14/35/1133011435.db2.gz KDTAZROZDXASEK-FIQHERPVSA-N 1 3 345.419 -0.514 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001366166427 1133035572 /nfs/dbraw/zinc/03/55/72/1133035572.db2.gz DLSBBNDXKHJZHV-HZSPNIEDSA-N 1 3 348.513 -0.299 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325441 1133099439 /nfs/dbraw/zinc/09/94/39/1133099439.db2.gz RRWHTZXATHXOOJ-MNOVXSKESA-N 1 3 327.429 -0.733 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366387389 1133125265 /nfs/dbraw/zinc/12/52/65/1133125265.db2.gz CMNFAQOGDJASAZ-STQMWFEESA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513004 1133163524 /nfs/dbraw/zinc/16/35/24/1133163524.db2.gz XXXDLXOOTLWXPO-MNOVXSKESA-N 1 3 340.453 -0.087 20 0 EBADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513004 1133163527 /nfs/dbraw/zinc/16/35/27/1133163527.db2.gz XXXDLXOOTLWXPO-MNOVXSKESA-N 1 3 340.453 -0.087 20 0 EBADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583500 1133197455 /nfs/dbraw/zinc/19/74/55/1133197455.db2.gz LZGCLJQYEFSCQK-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583500 1133197458 /nfs/dbraw/zinc/19/74/58/1133197458.db2.gz LZGCLJQYEFSCQK-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001366775306 1133293016 /nfs/dbraw/zinc/29/30/16/1133293016.db2.gz MAJSYQZALRSORU-GFCCVEGCSA-N 1 3 343.472 -0.001 20 0 EBADHO COC[C@@H](O)CN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366984756 1133402864 /nfs/dbraw/zinc/40/28/64/1133402864.db2.gz YTPZNKCOZFOLRW-AWEZNQCLSA-N 1 3 329.441 -0.848 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001367222103 1133505730 /nfs/dbraw/zinc/50/57/30/1133505730.db2.gz WSMSCQPTGQUYMD-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C(=O)CN1CCCC1 ZINC001367405240 1133580172 /nfs/dbraw/zinc/58/01/72/1133580172.db2.gz NTILYTGEMCCTLI-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367418119 1133584958 /nfs/dbraw/zinc/58/49/58/1133584958.db2.gz LHNOSIZXSFRAFR-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367418119 1133584962 /nfs/dbraw/zinc/58/49/62/1133584962.db2.gz LHNOSIZXSFRAFR-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)N(C)C ZINC001367496838 1133603603 /nfs/dbraw/zinc/60/36/03/1133603603.db2.gz XNBITLJXVOHISY-NWDGAFQWSA-N 1 3 329.445 -0.487 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001367562544 1133632139 /nfs/dbraw/zinc/63/21/39/1133632139.db2.gz NKMQZOAJZSXJIW-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593726 1133666642 /nfs/dbraw/zinc/66/66/42/1133666642.db2.gz LMQORQGHTGNVOK-STQMWFEESA-N 1 3 326.441 -0.936 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001367594178 1133667503 /nfs/dbraw/zinc/66/75/03/1133667503.db2.gz XJBAJGHACZTOLV-HZSPNIEDSA-N 1 3 326.441 -0.938 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001367594178 1133667506 /nfs/dbraw/zinc/66/75/06/1133667506.db2.gz XJBAJGHACZTOLV-HZSPNIEDSA-N 1 3 326.441 -0.938 20 0 EBADHO CC(C)N1CC[C@H](NC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600915 1133677767 /nfs/dbraw/zinc/67/77/67/1133677767.db2.gz LZDBXWMRAVTEKL-KBPBESRZSA-N 1 3 340.468 -0.596 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367618354 1133701224 /nfs/dbraw/zinc/70/12/24/1133701224.db2.gz CYWQNWYSBFJGJQ-GOEBONIOSA-N 1 3 338.452 -0.462 20 0 EBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622057 1133706639 /nfs/dbraw/zinc/70/66/39/1133706639.db2.gz TYDVZCLZPSHZMZ-WBMJQRKESA-N 1 3 346.447 -0.598 20 0 EBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001367622057 1133706644 /nfs/dbraw/zinc/70/66/44/1133706644.db2.gz TYDVZCLZPSHZMZ-WBMJQRKESA-N 1 3 346.447 -0.598 20 0 EBADHO CC1CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367623357 1133709196 /nfs/dbraw/zinc/70/91/96/1133709196.db2.gz KEEKIHBNCAQOIE-HUUCEWRRSA-N 1 3 340.468 -0.737 20 0 EBADHO CC1CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001367623357 1133709201 /nfs/dbraw/zinc/70/92/01/1133709201.db2.gz KEEKIHBNCAQOIE-HUUCEWRRSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001367764584 1133776121 /nfs/dbraw/zinc/77/61/21/1133776121.db2.gz SSCJGTUCKLEYEL-JSGCOSHPSA-N 1 3 326.441 -0.530 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144838 1133957320 /nfs/dbraw/zinc/95/73/20/1133957320.db2.gz MFBLYOPVMBYLJD-HOTGVXAUSA-N 1 3 344.475 -0.123 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001368144838 1133957325 /nfs/dbraw/zinc/95/73/25/1133957325.db2.gz MFBLYOPVMBYLJD-HOTGVXAUSA-N 1 3 344.475 -0.123 20 0 EBADHO COCCN1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368276333 1134087372 /nfs/dbraw/zinc/08/73/72/1134087372.db2.gz KLMJYQVXNCEWOK-INIZCTEOSA-N 1 3 329.441 -0.703 20 0 EBADHO CCN1CC[C@@H](N2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290414 1134108138 /nfs/dbraw/zinc/10/81/38/1134108138.db2.gz USSJIVBZTRAARP-PBHICJAKSA-N 1 3 338.452 -0.744 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001368364263 1134167621 /nfs/dbraw/zinc/16/76/21/1134167621.db2.gz NSAMLAAILQNOBH-GASCZTMLSA-N 1 3 337.468 -0.256 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001368364263 1134167624 /nfs/dbraw/zinc/16/76/24/1134167624.db2.gz NSAMLAAILQNOBH-GASCZTMLSA-N 1 3 337.468 -0.256 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001368403003 1134208209 /nfs/dbraw/zinc/20/82/09/1134208209.db2.gz BDVSJAQTXBNNSY-AWEZNQCLSA-N 1 3 328.457 -0.642 20 0 EBADHO Cn1cc(CC[NH2+][C@@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001368627141 1134339203 /nfs/dbraw/zinc/33/92/03/1134339203.db2.gz XPKKKMVLYPWXCS-KRWDZBQOSA-N 1 3 346.435 -0.129 20 0 EBADHO NC(=O)CNCC1(NC(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC001368633225 1134345911 /nfs/dbraw/zinc/34/59/11/1134345911.db2.gz IYFJBTYZISVRHP-UHFFFAOYSA-N 1 3 326.441 -0.397 20 0 EBADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCCS(C)(=O)=O ZINC001368651907 1134355994 /nfs/dbraw/zinc/35/59/94/1134355994.db2.gz FQUKLPSXJCXEAL-QWHCGFSZSA-N 1 3 329.466 -0.437 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001368653584 1134356665 /nfs/dbraw/zinc/35/66/65/1134356665.db2.gz FGOLAUFRSCDDBB-CHWSQXEVSA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001368840018 1134461929 /nfs/dbraw/zinc/46/19/29/1134461929.db2.gz KQKROYRKXHWJQK-QWRGUYRKSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@H](NCC(=O)NC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368861003 1134467562 /nfs/dbraw/zinc/46/75/62/1134467562.db2.gz HAPPTBMQICHNGT-QWRGUYRKSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](NCC(=O)NC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368860988 1134467899 /nfs/dbraw/zinc/46/78/99/1134467899.db2.gz HAPPTBMQICHNGT-MNOVXSKESA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](NCC(=O)N(C)C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158612 1134599579 /nfs/dbraw/zinc/59/95/79/1134599579.db2.gz NAJGTBTYPRKAJA-KGLIPLIRSA-N 1 3 338.452 -0.624 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369248441 1134628602 /nfs/dbraw/zinc/62/86/02/1134628602.db2.gz FDGNKHJTPPDGKF-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001369293386 1134642847 /nfs/dbraw/zinc/64/28/47/1134642847.db2.gz MTDWEIRXYOLWQD-NWDGAFQWSA-N 1 3 329.445 -0.391 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)NCc1cncs1 ZINC001369381100 1134742697 /nfs/dbraw/zinc/74/26/97/1134742697.db2.gz ITADAKRHIXTEMY-QWHCGFSZSA-N 1 3 342.465 -0.322 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406782 1134763612 /nfs/dbraw/zinc/76/36/12/1134763612.db2.gz RCBOPFRVOAXXDA-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(=O)NC)C[C@@H]1C ZINC001369409327 1134766065 /nfs/dbraw/zinc/76/60/65/1134766065.db2.gz VZEDUPYFTAIQNF-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(=O)NC)C[C@@H]1C ZINC001369409327 1134766071 /nfs/dbraw/zinc/76/60/71/1134766071.db2.gz VZEDUPYFTAIQNF-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)CN[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001369448653 1134787367 /nfs/dbraw/zinc/78/73/67/1134787367.db2.gz RWKRHTJAEVHVLX-AWEZNQCLSA-N 1 3 340.468 -0.330 20 0 EBADHO CCN1CC[C@@H](NC[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489588 1134862777 /nfs/dbraw/zinc/86/27/77/1134862777.db2.gz XRTXVMKZZOGHQN-UONOGXRCSA-N 1 3 338.452 -0.888 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369489475 1134862989 /nfs/dbraw/zinc/86/29/89/1134862989.db2.gz VTFSAFXJUYCTLA-OAHLLOKOSA-N 1 3 337.468 -0.021 20 0 EBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001369577692 1134946546 /nfs/dbraw/zinc/94/65/46/1134946546.db2.gz JGMDZOLVRLDYAC-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852508 1135048965 /nfs/dbraw/zinc/04/89/65/1135048965.db2.gz JBYAJIXVNMHJQI-HUUCEWRRSA-N 1 3 343.468 -0.315 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001370485098 1135370520 /nfs/dbraw/zinc/37/05/20/1135370520.db2.gz PQYDXZUQEOXDNU-DZKIICNBSA-N 1 3 340.468 -0.332 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001370488246 1135372195 /nfs/dbraw/zinc/37/21/95/1135372195.db2.gz IYFPTAKQNOBFQD-IJLUTSLNSA-N 1 3 327.429 -0.591 20 0 EBADHO CC[C@H](C(=O)NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001370723204 1135549223 /nfs/dbraw/zinc/54/92/23/1135549223.db2.gz DLVRIOYDYNSGRN-ZIAGYGMSSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O)[NH+](C)C ZINC001370964447 1135714950 /nfs/dbraw/zinc/71/49/50/1135714950.db2.gz OTKOBWDHXWCPEP-TZMCWYRMSA-N 1 3 341.456 -0.262 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OC ZINC001371516728 1135944737 /nfs/dbraw/zinc/94/47/37/1135944737.db2.gz CKTMGMBPKZHVOO-ZIAGYGMSSA-N 1 3 337.424 -0.364 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OC ZINC001371516728 1135944740 /nfs/dbraw/zinc/94/47/40/1135944740.db2.gz CKTMGMBPKZHVOO-ZIAGYGMSSA-N 1 3 337.424 -0.364 20 0 EBADHO CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001371524030 1135949456 /nfs/dbraw/zinc/94/94/56/1135949456.db2.gz QPOHXXTXGPSCLB-ZIAGYGMSSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001371557463 1135970243 /nfs/dbraw/zinc/97/02/43/1135970243.db2.gz WUIZPWLWMUSYST-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001371579041 1135975038 /nfs/dbraw/zinc/97/50/38/1135975038.db2.gz IQHJCBNCURJZNG-QWHCGFSZSA-N 1 3 341.456 -0.390 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001371618715 1135986377 /nfs/dbraw/zinc/98/63/77/1135986377.db2.gz OGSKHEOOJUWREI-NWDGAFQWSA-N 1 3 327.429 -0.650 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001371773029 1136017906 /nfs/dbraw/zinc/01/79/06/1136017906.db2.gz VNZLJVVJZPUICV-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CC[C@@H](C(=O)N1CCN(CCNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001372219796 1136143283 /nfs/dbraw/zinc/14/32/83/1136143283.db2.gz LSJUJVPGZYNYSA-HNNXBMFYSA-N 1 3 341.500 -0.461 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(C[C@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897277 1136317891 /nfs/dbraw/zinc/31/78/91/1136317891.db2.gz PVUCPPHPRMYIQL-ZBFHGGJFSA-N 1 3 335.452 -0.224 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCN(C[C@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897277 1136317894 /nfs/dbraw/zinc/31/78/94/1136317894.db2.gz PVUCPPHPRMYIQL-ZBFHGGJFSA-N 1 3 335.452 -0.224 20 0 EBADHO C[C@H](NCCN(C)C(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372994935 1136349168 /nfs/dbraw/zinc/34/91/68/1136349168.db2.gz VEWLEPOEGVCSFS-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC(N)=O ZINC001373753580 1136553399 /nfs/dbraw/zinc/55/33/99/1136553399.db2.gz OTTFNYAJEDTINF-RYUDHWBXSA-N 1 3 325.413 -0.993 20 0 EBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001373756933 1136553930 /nfs/dbraw/zinc/55/39/30/1136553930.db2.gz AVLORKITPGGMRO-ZDUSSCGKSA-N 1 3 325.457 -0.020 20 0 EBADHO CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N2CCCC2)C1=O ZINC001374635126 1136764997 /nfs/dbraw/zinc/76/49/97/1136764997.db2.gz VIVUUHAONKAGPW-ZIAGYGMSSA-N 1 3 340.468 -0.452 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670927 1136790045 /nfs/dbraw/zinc/79/00/45/1136790045.db2.gz NFQMJONUXDMNSR-HIFRSBDPSA-N 1 3 340.468 -0.546 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670927 1136790046 /nfs/dbraw/zinc/79/00/46/1136790046.db2.gz NFQMJONUXDMNSR-HIFRSBDPSA-N 1 3 340.468 -0.546 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674703 1136793435 /nfs/dbraw/zinc/79/34/35/1136793435.db2.gz JUIKTPGKOYJMBL-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674703 1136793438 /nfs/dbraw/zinc/79/34/38/1136793438.db2.gz JUIKTPGKOYJMBL-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001374830737 1136844882 /nfs/dbraw/zinc/84/48/82/1136844882.db2.gz ZKOGBCAVQLYVQA-CHWSQXEVSA-N 1 3 340.468 -0.141 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CN(C)CC(C)(C)C ZINC001374934059 1136878880 /nfs/dbraw/zinc/87/88/80/1136878880.db2.gz TXCKORNTESBZKY-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000583928844 375888148 /nfs/dbraw/zinc/88/81/48/375888148.db2.gz SYVUTYCELXGHPJ-ZDUSSCGKSA-N 1 3 325.457 -0.970 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCO1 ZINC000643552803 375898428 /nfs/dbraw/zinc/89/84/28/375898428.db2.gz KDWQROLSYYAVSX-QWHCGFSZSA-N 1 3 326.441 -0.496 20 0 EBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)C1 ZINC000643593601 375921916 /nfs/dbraw/zinc/92/19/16/375921916.db2.gz XUKWALGDHZRFLQ-DAYGRLMNSA-N 1 3 334.464 -0.001 20 0 EBADHO O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722750 376212522 /nfs/dbraw/zinc/21/25/22/376212522.db2.gz ULEBFQHFVHHNKJ-IAGOWNOFSA-N 1 3 331.420 -0.134 20 0 EBADHO O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722750 376212529 /nfs/dbraw/zinc/21/25/29/376212529.db2.gz ULEBFQHFVHHNKJ-IAGOWNOFSA-N 1 3 331.420 -0.134 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904582 376683613 /nfs/dbraw/zinc/68/36/13/376683613.db2.gz ZLYMUJCPXSTJPG-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000642914851 376732006 /nfs/dbraw/zinc/73/20/06/376732006.db2.gz ONVDYDSGRWTRPT-HUUCEWRRSA-N 1 3 337.468 -0.907 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)C1 ZINC000642917935 376748787 /nfs/dbraw/zinc/74/87/87/376748787.db2.gz ICONDINHDNKWCJ-HNNXBMFYSA-N 1 3 337.468 -0.907 20 0 EBADHO Cc1cccnc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000560899474 376785920 /nfs/dbraw/zinc/78/59/20/376785920.db2.gz MSNOONLBWZBTPJ-UHFFFAOYSA-N 1 3 335.452 -0.042 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](CN)C1 ZINC000561244532 376820821 /nfs/dbraw/zinc/82/08/21/376820821.db2.gz DHYNVEQBWZNJOC-HNNXBMFYSA-N 1 3 337.468 -0.922 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1=O ZINC000635933476 377139247 /nfs/dbraw/zinc/13/92/47/377139247.db2.gz IIRIKXKEMOHBQD-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000635933476 377139258 /nfs/dbraw/zinc/13/92/58/377139258.db2.gz IIRIKXKEMOHBQD-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000572643325 377234541 /nfs/dbraw/zinc/23/45/41/377234541.db2.gz RGQAJDUXJGGRKL-UONOGXRCSA-N 1 3 347.415 -0.310 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000642978845 377435944 /nfs/dbraw/zinc/43/59/44/377435944.db2.gz YRRWAKGEBPCNEE-CQSZACIVSA-N 1 3 337.468 -0.778 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CCN2C1=O ZINC000595272396 377987567 /nfs/dbraw/zinc/98/75/67/377987567.db2.gz YOJWJIIZUZZQIG-TZMCWYRMSA-N 1 3 335.383 -0.262 20 0 EBADHO C[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)N1CCN(C)CC1 ZINC000603899293 378426353 /nfs/dbraw/zinc/42/63/53/378426353.db2.gz RVWBHMFJJRKMBC-MRXNPFEDSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)N1CCN(C)CC1 ZINC000603899293 378426359 /nfs/dbraw/zinc/42/63/59/378426359.db2.gz RVWBHMFJJRKMBC-MRXNPFEDSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)N1CCN(C)CC1 ZINC000603899293 378426366 /nfs/dbraw/zinc/42/63/66/378426366.db2.gz RVWBHMFJJRKMBC-MRXNPFEDSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)N1CCN(C)CC1 ZINC000603899293 378426372 /nfs/dbraw/zinc/42/63/72/378426372.db2.gz RVWBHMFJJRKMBC-MRXNPFEDSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COCCN1C ZINC000637265480 378554442 /nfs/dbraw/zinc/55/44/42/378554442.db2.gz QSWNRWCXXVLQKL-GJZGRUSLSA-N 1 3 329.489 -0.112 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COCCN1C ZINC000637265480 378554448 /nfs/dbraw/zinc/55/44/48/378554448.db2.gz QSWNRWCXXVLQKL-GJZGRUSLSA-N 1 3 329.489 -0.112 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000337792436 378696349 /nfs/dbraw/zinc/69/63/49/378696349.db2.gz CPDUQIVWFRDIRG-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO CC[NH+]1CCC(NC(=O)CSc2nnnn2CCN(C)C)CC1 ZINC000337956534 378717949 /nfs/dbraw/zinc/71/79/49/378717949.db2.gz WIOYZBJIVCMATQ-UHFFFAOYSA-N 1 3 341.485 -0.073 20 0 EBADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627296231 379142980 /nfs/dbraw/zinc/14/29/80/379142980.db2.gz ALZHUSQSMUHFIB-HZPDHXFCSA-N 1 3 346.431 -0.653 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000627401802 379147731 /nfs/dbraw/zinc/14/77/31/379147731.db2.gz JCNGLNQELIXVEC-AWEZNQCLSA-N 1 3 338.452 -0.432 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627302720 379234637 /nfs/dbraw/zinc/23/46/37/379234637.db2.gz WPGUSUZIDLPUCZ-JSGCOSHPSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000607246169 379255710 /nfs/dbraw/zinc/25/57/10/379255710.db2.gz SVLGKZZBXMBOKS-UHFFFAOYSA-N 1 3 327.429 -0.730 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000627311568 379301401 /nfs/dbraw/zinc/30/14/01/379301401.db2.gz BZCWXUOUMSYANA-SOUVJXGZSA-N 1 3 342.484 -0.179 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312116 379304207 /nfs/dbraw/zinc/30/42/07/379304207.db2.gz PTCROBQSRXCZNG-ZIAGYGMSSA-N 1 3 328.457 -0.295 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627315143 379315522 /nfs/dbraw/zinc/31/55/22/379315522.db2.gz XXXTZAZGCLDWHX-DZGCQCFKSA-N 1 3 340.468 -0.141 20 0 EBADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](N)CC(N)=O)cc2)CC1 ZINC000269715366 379399268 /nfs/dbraw/zinc/39/92/68/379399268.db2.gz OSFUICVCSWKBAZ-MRXNPFEDSA-N 1 3 347.463 -0.357 20 0 EBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)C[NH2+]1 ZINC000627483871 379454685 /nfs/dbraw/zinc/45/46/85/379454685.db2.gz MOUAKYYHIGAGGI-UONOGXRCSA-N 1 3 327.473 -0.805 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627425334 379593116 /nfs/dbraw/zinc/59/31/16/379593116.db2.gz MOFDIQNDKRNXRE-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452585 379603623 /nfs/dbraw/zinc/60/36/23/379603623.db2.gz OHQMSUZPIOVHAG-OKILXGFUSA-N 1 3 340.468 -0.010 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000627484803 379633597 /nfs/dbraw/zinc/63/35/97/379633597.db2.gz JIXNGHSOGOVOEO-OAHLLOKOSA-N 1 3 340.468 -0.055 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000627488905 379639936 /nfs/dbraw/zinc/63/99/36/379639936.db2.gz LSTNHVAURMGCIT-OAHLLOKOSA-N 1 3 340.468 -0.055 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627453041 379604212 /nfs/dbraw/zinc/60/42/12/379604212.db2.gz APEVULKRUCECFF-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO CO[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000564191372 379799232 /nfs/dbraw/zinc/79/92/32/379799232.db2.gz RSIHETKTZBUIDQ-KBPBESRZSA-N 1 3 342.484 -0.132 20 0 EBADHO CN(CC[NH+]1CCCC1)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000631898666 379769060 /nfs/dbraw/zinc/76/90/60/379769060.db2.gz QVNNFHLELBAPEG-UHFFFAOYSA-N 1 3 332.514 -0.019 20 0 EBADHO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000631944046 379787039 /nfs/dbraw/zinc/78/70/39/379787039.db2.gz MFKXIBQEXZNZPV-ZDUSSCGKSA-N 1 3 330.458 -0.345 20 0 EBADHO CC[C@]1(O)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000632487881 379869047 /nfs/dbraw/zinc/86/90/47/379869047.db2.gz XYIHXVSMZWXKGQ-KRWDZBQOSA-N 1 3 342.484 -0.298 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000124202323 379955733 /nfs/dbraw/zinc/95/57/33/379955733.db2.gz ZBZPWFMWYRNOOP-UHFFFAOYSA-N 1 3 336.440 -0.063 20 0 EBADHO COCCN1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354703648 380085716 /nfs/dbraw/zinc/08/57/16/380085716.db2.gz ZTIBVAUDWQWNJT-CQSZACIVSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CCN(CCO)CC1 ZINC000355324463 380185214 /nfs/dbraw/zinc/18/52/14/380185214.db2.gz UKQQWOKBZUAFOO-CYBMUJFWSA-N 1 3 328.457 -0.737 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cscn1 ZINC000550744592 380258149 /nfs/dbraw/zinc/25/81/49/380258149.db2.gz PUKGCJDSCKMHKL-UHFFFAOYSA-N 1 3 341.481 -0.246 20 0 EBADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)nnn1-c1ccn(C)n1 ZINC000550721766 380258404 /nfs/dbraw/zinc/25/84/04/380258404.db2.gz PMZCFQSFVWXPLR-UHFFFAOYSA-N 1 3 348.455 -0.125 20 0 EBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226418 380293362 /nfs/dbraw/zinc/29/33/62/380293362.db2.gz GFRFHAUBNLGDQD-MSOLQXFVSA-N 1 3 345.491 -0.048 20 0 EBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CCC[NH3+])ccn1 ZINC000564586090 380374984 /nfs/dbraw/zinc/37/49/84/380374984.db2.gz ORYRRQBYMDXTOY-UHFFFAOYSA-N 1 3 337.424 -0.555 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943374 380444903 /nfs/dbraw/zinc/44/49/03/380444903.db2.gz YECLWYPMVISCGD-HOTGVXAUSA-N 1 3 326.485 -0.310 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943374 380444910 /nfs/dbraw/zinc/44/49/10/380444910.db2.gz YECLWYPMVISCGD-HOTGVXAUSA-N 1 3 326.485 -0.310 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000340583568 380557589 /nfs/dbraw/zinc/55/75/89/380557589.db2.gz HNTMLGURAHOAJJ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000340583568 380557593 /nfs/dbraw/zinc/55/75/93/380557593.db2.gz HNTMLGURAHOAJJ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CN1CCN(C)CC1 ZINC000340793817 380632775 /nfs/dbraw/zinc/63/27/75/380632775.db2.gz JRZGUZKPXPQLOV-CABCVRRESA-N 1 3 341.500 -0.558 20 0 EBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](CO)CN2CCCCC2)CC1=O ZINC000340822969 380639016 /nfs/dbraw/zinc/63/90/16/380639016.db2.gz MVBDPDIUUKSJEH-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NCC(C)(C)C[NH+](C)C)n1 ZINC000341279860 380685326 /nfs/dbraw/zinc/68/53/26/380685326.db2.gz SUKMYMXAEDUNES-UHFFFAOYSA-N 1 3 325.461 -0.639 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000576123238 380759124 /nfs/dbraw/zinc/75/91/24/380759124.db2.gz ALFQPRXODSMNEC-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000574504543 380714262 /nfs/dbraw/zinc/71/42/62/380714262.db2.gz VDSRRTZCAYKMPT-UHFFFAOYSA-N 1 3 337.468 -0.064 20 0 EBADHO NC(C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(F)(F)F ZINC000574635172 380718464 /nfs/dbraw/zinc/71/84/64/380718464.db2.gz YJLQUNKTQIOQER-GMTAPVOTSA-N 1 3 336.358 -0.017 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000342009501 380750965 /nfs/dbraw/zinc/75/09/65/380750965.db2.gz BELJOLHCMJCCTF-HUUCEWRRSA-N 1 3 340.468 -0.500 20 0 EBADHO C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCN1 ZINC000417435799 380890098 /nfs/dbraw/zinc/89/00/98/380890098.db2.gz ZHAZSDUMZCIRBS-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCN1 ZINC000417435799 380890109 /nfs/dbraw/zinc/89/01/09/380890109.db2.gz ZHAZSDUMZCIRBS-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCN1 ZINC000417435799 380890119 /nfs/dbraw/zinc/89/01/19/380890119.db2.gz ZHAZSDUMZCIRBS-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000578878161 380958269 /nfs/dbraw/zinc/95/82/69/380958269.db2.gz MLNKWUHTEHQIHV-LSDHHAIUSA-N 1 3 338.452 -0.351 20 0 EBADHO CC[NH2+]CCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000579932448 381023616 /nfs/dbraw/zinc/02/36/16/381023616.db2.gz YAFGBXGGOQNPLJ-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CSCCN1 ZINC000193706844 381042984 /nfs/dbraw/zinc/04/29/84/381042984.db2.gz MFAKMIFCPRYSDD-QWHCGFSZSA-N 1 3 328.482 -0.072 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCn2cncc2C1 ZINC000581534335 381083259 /nfs/dbraw/zinc/08/32/59/381083259.db2.gz BDUGBZCUOKXHDJ-UHFFFAOYSA-N 1 3 336.440 -0.823 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581657488 381091797 /nfs/dbraw/zinc/09/17/97/381091797.db2.gz RFVGJIMKRHQXMG-MJBXVCDLSA-N 1 3 338.452 -0.088 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642440183 381093882 /nfs/dbraw/zinc/09/38/82/381093882.db2.gz YDJLEFKGBLKVOL-MCIONIFRSA-N 1 3 326.441 -0.448 20 0 EBADHO CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](CN)C1 ZINC000583074483 381097375 /nfs/dbraw/zinc/09/73/75/381097375.db2.gz HOFLQHFQABHKCF-INIZCTEOSA-N 1 3 347.463 -0.534 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418393758 381123108 /nfs/dbraw/zinc/12/31/08/381123108.db2.gz YKEALYCHKWNQHJ-ZIAGYGMSSA-N 1 3 325.457 -0.082 20 0 EBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000583312343 381125536 /nfs/dbraw/zinc/12/55/36/381125536.db2.gz GQZKVAGMCQIZPS-KBPBESRZSA-N 1 3 339.484 -0.676 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[C@H]1[NH3+] ZINC000583746992 381132327 /nfs/dbraw/zinc/13/23/27/381132327.db2.gz JRRJSQRPQFYMPG-UONOGXRCSA-N 1 3 327.473 -0.866 20 0 EBADHO O=C(CNC(=O)NC[C@H]1CNCCO1)NCC[NH+]1CCCCCC1 ZINC000418765064 381264073 /nfs/dbraw/zinc/26/40/73/381264073.db2.gz LELJBNZPFFPDPV-CQSZACIVSA-N 1 3 341.456 -0.734 20 0 EBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418879685 381326566 /nfs/dbraw/zinc/32/65/66/381326566.db2.gz NUUTTYHJGCJIAZ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418876906 381326669 /nfs/dbraw/zinc/32/66/69/381326669.db2.gz HKVXFNVFBMSMLS-KBPBESRZSA-N 1 3 328.457 -0.297 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418883584 381330584 /nfs/dbraw/zinc/33/05/84/381330584.db2.gz VEZOCLFUCKMXMZ-KFWWJZLASA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418883587 381331238 /nfs/dbraw/zinc/33/12/38/381331238.db2.gz VEZOCLFUCKMXMZ-ZNMIVQPWSA-N 1 3 340.468 -0.282 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348019937 381311612 /nfs/dbraw/zinc/31/16/12/381311612.db2.gz QFCQYERTBNKAKZ-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348019937 381311618 /nfs/dbraw/zinc/31/16/18/381311618.db2.gz QFCQYERTBNKAKZ-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419117954 381379672 /nfs/dbraw/zinc/37/96/72/381379672.db2.gz IBDPFJKTIWEPIG-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419028068 381357651 /nfs/dbraw/zinc/35/76/51/381357651.db2.gz PULNXKHSQZZYNB-BARDWOONSA-N 1 3 340.468 -0.426 20 0 EBADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419028068 381357653 /nfs/dbraw/zinc/35/76/53/381357653.db2.gz PULNXKHSQZZYNB-BARDWOONSA-N 1 3 340.468 -0.426 20 0 EBADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419032785 381358536 /nfs/dbraw/zinc/35/85/36/381358536.db2.gz XFFWBDWBZIMLHE-ZIAGYGMSSA-N 1 3 340.468 -0.201 20 0 EBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419289502 381411017 /nfs/dbraw/zinc/41/10/17/381411017.db2.gz TZNCLAINCMIPFZ-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419125286 381384702 /nfs/dbraw/zinc/38/47/02/381384702.db2.gz SXHNRKGBFKZTSQ-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000419196442 381397975 /nfs/dbraw/zinc/39/79/75/381397975.db2.gz AZLXRBLGKNVVDC-CQSZACIVSA-N 1 3 334.420 -0.197 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419230933 381401965 /nfs/dbraw/zinc/40/19/65/381401965.db2.gz QMKXMGCEVXBEOY-CABCVRRESA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419230933 381401968 /nfs/dbraw/zinc/40/19/68/381401968.db2.gz QMKXMGCEVXBEOY-CABCVRRESA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419413994 381430970 /nfs/dbraw/zinc/43/09/70/381430970.db2.gz DRNVPKUBQHECNX-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000349054524 381432823 /nfs/dbraw/zinc/43/28/23/381432823.db2.gz NWQPYQSXIDTQAN-UHFFFAOYSA-N 1 3 326.441 -0.623 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419456147 381440686 /nfs/dbraw/zinc/44/06/86/381440686.db2.gz YWFQSGSSZPMBFK-KGLIPLIRSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419456148 381440937 /nfs/dbraw/zinc/44/09/37/381440937.db2.gz YWFQSGSSZPMBFK-UONOGXRCSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419451557 381441035 /nfs/dbraw/zinc/44/10/35/381441035.db2.gz NOGBWSMLWSAWDB-ZIAGYGMSSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419455348 381442219 /nfs/dbraw/zinc/44/22/19/381442219.db2.gz WNUYJVWSGAVJPF-KKUMJFAQSA-N 1 3 340.468 -0.343 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419678334 381481654 /nfs/dbraw/zinc/48/16/54/381481654.db2.gz OFDFKHXVNFQUKG-KBPBESRZSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[N@H+](C)C1CC1 ZINC000419589711 381460125 /nfs/dbraw/zinc/46/01/25/381460125.db2.gz PLXOUBYFWKEVRD-GVXVVHGQSA-N 1 3 326.441 -0.186 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[N@@H+](C)C1CC1 ZINC000419589711 381460130 /nfs/dbraw/zinc/46/01/30/381460130.db2.gz PLXOUBYFWKEVRD-GVXVVHGQSA-N 1 3 326.441 -0.186 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419592601 381462085 /nfs/dbraw/zinc/46/20/85/381462085.db2.gz SJUAYSQUDYRDDF-ILXRZTDVSA-N 1 3 340.468 -0.058 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419782511 381494816 /nfs/dbraw/zinc/49/48/16/381494816.db2.gz UIWUWBJXLOUCKW-OLZOCXBDSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCCCC1 ZINC000419816993 381496882 /nfs/dbraw/zinc/49/68/82/381496882.db2.gz LTHWLFARJYQYCI-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028590 381531918 /nfs/dbraw/zinc/53/19/18/381531918.db2.gz DWQQDGLZUDYDCS-STQMWFEESA-N 1 3 326.441 -0.230 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCC[C@@H](C)C1 ZINC000420179359 381562724 /nfs/dbraw/zinc/56/27/24/381562724.db2.gz BMLWOCVPSPAIJM-QLFBSQMISA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409341 381584787 /nfs/dbraw/zinc/58/47/87/381584787.db2.gz QMOVQRWPVSTNEN-STQMWFEESA-N 1 3 348.451 -0.260 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000571777530 381620766 /nfs/dbraw/zinc/62/07/66/381620766.db2.gz VSJSIHOTKRSSDD-HNNXBMFYSA-N 1 3 337.468 -0.064 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612879050 381874920 /nfs/dbraw/zinc/87/49/20/381874920.db2.gz RRIXIMMVIWKSMT-MRXNPFEDSA-N 1 3 325.457 -0.020 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000643498772 381905396 /nfs/dbraw/zinc/90/53/96/381905396.db2.gz TWIIUUOCZDSWCZ-RRFJBIMHSA-N 1 3 338.452 -0.352 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000627464414 381906318 /nfs/dbraw/zinc/90/63/18/381906318.db2.gz AQVXGVZLTCYCBS-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333467862 381925106 /nfs/dbraw/zinc/92/51/06/381925106.db2.gz AKNSUZOSKNEVHW-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643509779 381927919 /nfs/dbraw/zinc/92/79/19/381927919.db2.gz SPRKBGOXTSMCCJ-GJZGRUSLSA-N 1 3 341.500 -0.476 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643509769 381928653 /nfs/dbraw/zinc/92/86/53/381928653.db2.gz SCFMJUCNMPGQHS-CABCVRRESA-N 1 3 339.484 -0.851 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000333827297 381961825 /nfs/dbraw/zinc/96/18/25/381961825.db2.gz LWBKYJQPDKVGNZ-KFWWJZLASA-N 1 3 337.468 -0.068 20 0 EBADHO CN1CCN(CCC[N@H+](C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000429677814 382006165 /nfs/dbraw/zinc/00/61/65/382006165.db2.gz CZSZFEFPRLTHSA-UHFFFAOYSA-N 1 3 325.501 -0.280 20 0 EBADHO CN1CCN(CCC[N@@H+](C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000429677814 382006175 /nfs/dbraw/zinc/00/61/75/382006175.db2.gz CZSZFEFPRLTHSA-UHFFFAOYSA-N 1 3 325.501 -0.280 20 0 EBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643516773 382022319 /nfs/dbraw/zinc/02/23/19/382022319.db2.gz UGIAEIAGXPIEJO-PMPSAXMXSA-N 1 3 349.479 -0.812 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446100962 382176439 /nfs/dbraw/zinc/17/64/39/382176439.db2.gz RJHSVVBXFVMVCY-GOSISDBHSA-N 1 3 348.447 -0.088 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cn1 ZINC000444269788 382145796 /nfs/dbraw/zinc/14/57/96/382145796.db2.gz NKBIDMFGZBNKPH-CJNGLKHVSA-N 1 3 334.424 -0.501 20 0 EBADHO CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445536645 382167498 /nfs/dbraw/zinc/16/74/98/382167498.db2.gz FDTFPOMBVWUYLV-CQSZACIVSA-N 1 3 336.436 -0.232 20 0 EBADHO CCN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000669228269 545827511 /nfs/dbraw/zinc/82/75/11/545827511.db2.gz LBGNNMMXAVAYCT-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)NCC[N@H+](C)CCOC)C2)CC1 ZINC000106557324 154090721 /nfs/dbraw/zinc/09/07/21/154090721.db2.gz RYFZWYZQUCHVNR-MRXNPFEDSA-N 1 3 341.500 -0.014 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)NCC[N@@H+](C)CCOC)C2)CC1 ZINC000106557324 154090726 /nfs/dbraw/zinc/09/07/26/154090726.db2.gz RYFZWYZQUCHVNR-MRXNPFEDSA-N 1 3 341.500 -0.014 20 0 EBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000343143133 156104773 /nfs/dbraw/zinc/10/47/73/156104773.db2.gz OJTHFXMOMSAWNA-LSDHHAIUSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343916139 156188442 /nfs/dbraw/zinc/18/84/42/156188442.db2.gz AZCMYAUAAARBKV-SQNIBIBYSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343916139 156188445 /nfs/dbraw/zinc/18/84/45/156188445.db2.gz AZCMYAUAAARBKV-SQNIBIBYSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343916139 156188447 /nfs/dbraw/zinc/18/84/47/156188447.db2.gz AZCMYAUAAARBKV-SQNIBIBYSA-N 1 3 340.512 -0.363 20 0 EBADHO O=C(NCC1CC[NH+](CCO)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000344634763 156249143 /nfs/dbraw/zinc/24/91/43/156249143.db2.gz CCIJBSZSRMYVIO-OAHLLOKOSA-N 1 3 338.452 -0.887 20 0 EBADHO CCN1CCN(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000346124790 156386907 /nfs/dbraw/zinc/38/69/07/156386907.db2.gz DSNCCIKKEXAXFL-HNNXBMFYSA-N 1 3 339.484 -0.850 20 0 EBADHO COC[C@@]1(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCC[NH2+]1 ZINC000357256274 157130175 /nfs/dbraw/zinc/13/01/75/157130175.db2.gz KCRCCYLLVYHBET-CJNGLKHVSA-N 1 3 326.441 -0.719 20 0 EBADHO COc1nc(NCCN2CCCC2)nc(NCCN2CCCC2)n1 ZINC000359511330 157328879 /nfs/dbraw/zinc/32/88/79/157328879.db2.gz WJGKGIKNGFUYAV-UHFFFAOYSA-N 1 3 335.456 -0.261 20 0 EBADHO COc1nc(NCCN2CCCC2)nc(NCC[NH+]2CCCC2)n1 ZINC000359511330 157328881 /nfs/dbraw/zinc/32/88/81/157328881.db2.gz WJGKGIKNGFUYAV-UHFFFAOYSA-N 1 3 335.456 -0.261 20 0 EBADHO CNc1nc(NCCN2CCCC2)nc(NCC[NH+]2CCCC2)n1 ZINC000359503779 157329007 /nfs/dbraw/zinc/32/90/07/157329007.db2.gz BAGFRCWOUKAQPM-UHFFFAOYSA-N 1 3 334.472 -0.806 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000360270633 157369909 /nfs/dbraw/zinc/36/99/09/157369909.db2.gz FWUJJIBRRDHSTA-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410500166 419035437 /nfs/dbraw/zinc/03/54/37/419035437.db2.gz AAVSEDQEXRRVKO-CQSZACIVSA-N 1 3 328.457 -0.424 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653119274 418989300 /nfs/dbraw/zinc/98/93/00/418989300.db2.gz DPKLOUKQVTXFCH-GUYCJALGSA-N 1 3 338.452 -0.719 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000644124060 419103526 /nfs/dbraw/zinc/10/35/26/419103526.db2.gz OJABCXXLPUCGRP-KBPBESRZSA-N 1 3 326.441 -0.399 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647594775 419121475 /nfs/dbraw/zinc/12/14/75/419121475.db2.gz MNVNCCDPVDQNOO-CABCVRRESA-N 1 3 341.500 -0.238 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000652623299 419241405 /nfs/dbraw/zinc/24/14/05/419241405.db2.gz FTQZSBZRKAZPQM-QGZVFWFLSA-N 1 3 348.451 -0.015 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652621950 419241699 /nfs/dbraw/zinc/24/16/99/419241699.db2.gz ZFOPKFMGNKQTLD-OLZOCXBDSA-N 1 3 336.440 -0.031 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000531857148 419273934 /nfs/dbraw/zinc/27/39/34/419273934.db2.gz YFSQIXAJXTUGFC-STQMWFEESA-N 1 3 329.445 -0.846 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652712934 419304213 /nfs/dbraw/zinc/30/42/13/419304213.db2.gz DOTIUVLXNCGEAM-CQSZACIVSA-N 1 3 340.468 -0.199 20 0 EBADHO CN(CCC[NH3+])CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000647849022 419310432 /nfs/dbraw/zinc/31/04/32/419310432.db2.gz DXEDNQXWZFAFDI-UHFFFAOYSA-N 1 3 342.465 -0.337 20 0 EBADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000527373799 419528040 /nfs/dbraw/zinc/52/80/40/419528040.db2.gz GOIDMHFOCSXSDW-UHFFFAOYSA-N 1 3 337.424 -0.020 20 0 EBADHO Cc1nn(C)c(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526131685 419598096 /nfs/dbraw/zinc/59/80/96/419598096.db2.gz CSGWQNBIWXTZHZ-UHFFFAOYSA-N 1 3 338.456 -0.073 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000355276414 419662361 /nfs/dbraw/zinc/66/23/61/419662361.db2.gz HRBIVDUAAWCYGU-CQSZACIVSA-N 1 3 341.500 -0.415 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CCN1C1CCN(C)CC1 ZINC000420050530 419835472 /nfs/dbraw/zinc/83/54/72/419835472.db2.gz FIMFQAQWIABQJT-ZDUSSCGKSA-N 1 3 339.484 -0.533 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024585 419838020 /nfs/dbraw/zinc/83/80/20/419838020.db2.gz AOQIRGQSTPPYEA-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000645693933 419794302 /nfs/dbraw/zinc/79/43/02/419794302.db2.gz BVGSICYVFYTFBS-QGZVFWFLSA-N 1 3 348.451 -0.063 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000645693933 419794308 /nfs/dbraw/zinc/79/43/08/419794308.db2.gz BVGSICYVFYTFBS-QGZVFWFLSA-N 1 3 348.451 -0.063 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423206082 419921851 /nfs/dbraw/zinc/92/18/51/419921851.db2.gz FTAWJXBOJJYEKV-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423202302 419923334 /nfs/dbraw/zinc/92/33/34/419923334.db2.gz AMVIRCVPUYMFKV-WMLDXEAASA-N 1 3 340.468 -0.247 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423262230 419925383 /nfs/dbraw/zinc/92/53/83/419925383.db2.gz MBDOEAGDCBLNPS-ZIAGYGMSSA-N 1 3 328.457 -0.391 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423214373 419927060 /nfs/dbraw/zinc/92/70/60/419927060.db2.gz OVFAWEKHGRCQON-KGLIPLIRSA-N 1 3 326.441 -0.495 20 0 EBADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000514933801 419974493 /nfs/dbraw/zinc/97/44/93/419974493.db2.gz ZANBFKUFUIISJS-IKGGRYGDSA-N 1 3 327.469 -0.353 20 0 EBADHO COC1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000167214627 420528187 /nfs/dbraw/zinc/52/81/87/420528187.db2.gz JUFNGKRBIDWLML-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCOC1=O ZINC000491899039 420566142 /nfs/dbraw/zinc/56/61/42/420566142.db2.gz SWKRCAJWGVFZHS-UHFFFAOYSA-N 1 3 329.445 -0.037 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000658537931 420661890 /nfs/dbraw/zinc/66/18/90/420661890.db2.gz YZRGHROIBRXSSX-LSDHHAIUSA-N 1 3 340.468 -0.567 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC2CC[NH2+]CC2)cn1 ZINC000237170633 420734011 /nfs/dbraw/zinc/73/40/11/420734011.db2.gz HKJCGLDXJIZFJX-UHFFFAOYSA-N 1 3 336.440 -0.111 20 0 EBADHO Cn1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000530248679 420781108 /nfs/dbraw/zinc/78/11/08/420781108.db2.gz OCUPMHWBYAUSOH-OAHLLOKOSA-N 1 3 336.436 -0.326 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000654927820 420845863 /nfs/dbraw/zinc/84/58/63/420845863.db2.gz CCINJIHXNOOHOB-INIZCTEOSA-N 1 3 326.485 -0.166 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000654927820 420845867 /nfs/dbraw/zinc/84/58/67/420845867.db2.gz CCINJIHXNOOHOB-INIZCTEOSA-N 1 3 326.485 -0.166 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649318514 420798367 /nfs/dbraw/zinc/79/83/67/420798367.db2.gz RCXQVYGLMGYXKK-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649320067 420801017 /nfs/dbraw/zinc/80/10/17/420801017.db2.gz MXCMOIADKYFVPO-CYBMUJFWSA-N 1 3 344.406 -0.002 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000656027164 420868909 /nfs/dbraw/zinc/86/89/09/420868909.db2.gz BOMJNGNCUSMUFW-RBSFLKMASA-N 1 3 338.452 -0.304 20 0 EBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658904062 420986293 /nfs/dbraw/zinc/98/62/93/420986293.db2.gz QMWADQUOSUSEQG-HNNXBMFYSA-N 1 3 338.452 -0.936 20 0 EBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658904062 420986297 /nfs/dbraw/zinc/98/62/97/420986297.db2.gz QMWADQUOSUSEQG-HNNXBMFYSA-N 1 3 338.452 -0.936 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000659023814 420987797 /nfs/dbraw/zinc/98/77/97/420987797.db2.gz PLVIOXZZPVFPIT-JTQLQIEISA-N 1 3 341.378 -0.073 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659617207 421007597 /nfs/dbraw/zinc/00/75/97/421007597.db2.gz OLDVDYBJSNLYFW-UUCFBXCCSA-N 1 3 335.452 -0.314 20 0 EBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000659681831 421014110 /nfs/dbraw/zinc/01/41/10/421014110.db2.gz BMZPQBBFVBTKRU-CYBMUJFWSA-N 1 3 325.457 -0.922 20 0 EBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659700058 421017434 /nfs/dbraw/zinc/01/74/34/421017434.db2.gz ZAFUZFPBMNXDMN-SNVBAGLBSA-N 1 3 338.412 -0.896 20 0 EBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659700058 421017438 /nfs/dbraw/zinc/01/74/38/421017438.db2.gz ZAFUZFPBMNXDMN-SNVBAGLBSA-N 1 3 338.412 -0.896 20 0 EBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709559 421018089 /nfs/dbraw/zinc/01/80/89/421018089.db2.gz FNBAEURCNXABJF-CQSZACIVSA-N 1 3 339.484 -0.613 20 0 EBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709555 421018638 /nfs/dbraw/zinc/01/86/38/421018638.db2.gz FNBAEURCNXABJF-AWEZNQCLSA-N 1 3 339.484 -0.613 20 0 EBADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659715143 421019487 /nfs/dbraw/zinc/01/94/87/421019487.db2.gz OMUNEACZHNGNOL-CABCVRRESA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659715148 421019954 /nfs/dbraw/zinc/01/99/54/421019954.db2.gz OMUNEACZHNGNOL-LSDHHAIUSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659713911 421020442 /nfs/dbraw/zinc/02/04/42/421020442.db2.gz LBPXQVYNUAIEHI-ZDUSSCGKSA-N 1 3 333.436 -0.127 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662709301 421097052 /nfs/dbraw/zinc/09/70/52/421097052.db2.gz AMQMCCHOAIADNP-RDBSUJKOSA-N 1 3 326.441 -0.591 20 0 EBADHO CCN(C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427098850 421271674 /nfs/dbraw/zinc/27/16/74/421271674.db2.gz FAEMBTSMCSIRBP-UHFFFAOYSA-N 1 3 336.440 0.156 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419865728 264899754 /nfs/dbraw/zinc/89/97/54/264899754.db2.gz UBUXERKRDJHWDR-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423371247 265001480 /nfs/dbraw/zinc/00/14/80/265001480.db2.gz FHAMWJSJSPOQMJ-LBPRGKRZSA-N 1 3 333.392 -0.702 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423615164 265021026 /nfs/dbraw/zinc/02/10/26/265021026.db2.gz UMUADCAYKINYAU-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000423694319 265033698 /nfs/dbraw/zinc/03/36/98/265033698.db2.gz ARYBWLOBQGAHIJ-KGLIPLIRSA-N 1 3 328.457 -0.249 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnn(C)n1 ZINC000427145084 265103997 /nfs/dbraw/zinc/10/39/97/265103997.db2.gz QRDWNBTVWMSCQA-CYBMUJFWSA-N 1 3 338.460 -0.232 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnn(C)n1 ZINC000427145084 265104001 /nfs/dbraw/zinc/10/40/01/265104001.db2.gz QRDWNBTVWMSCQA-CYBMUJFWSA-N 1 3 338.460 -0.232 20 0 EBADHO Cn1cnc2c1c(=O)n(CCC[N@H+](C)C1CCNCC1)c(=O)n2C ZINC000430653272 265152043 /nfs/dbraw/zinc/15/20/43/265152043.db2.gz OQWFFEIYZHUBLW-UHFFFAOYSA-N 1 3 334.424 -0.492 20 0 EBADHO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)C1CCNCC1)c(=O)n2C ZINC000430653272 265152045 /nfs/dbraw/zinc/15/20/45/265152045.db2.gz OQWFFEIYZHUBLW-UHFFFAOYSA-N 1 3 334.424 -0.492 20 0 EBADHO C[NH2+]CC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000430948601 265157053 /nfs/dbraw/zinc/15/70/53/265157053.db2.gz KJRSJRNXFJEDFH-UHFFFAOYSA-N 1 3 334.424 -0.635 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCN(C2CC2)C1=O ZINC000668302376 545655350 /nfs/dbraw/zinc/65/53/50/545655350.db2.gz FYRNNEIUQHKCRT-UHFFFAOYSA-N 1 3 325.457 -0.162 20 0 EBADHO C[C@H](NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000672009169 545735264 /nfs/dbraw/zinc/73/52/64/545735264.db2.gz YXZIRVYJBDXDBP-ZFWWWQNUSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000152363891 545934712 /nfs/dbraw/zinc/93/47/12/545934712.db2.gz KFQJIHXQTIYOBI-CABCVRRESA-N 1 3 329.489 -0.160 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000667812179 546063190 /nfs/dbraw/zinc/06/31/90/546063190.db2.gz GHBOSOOERGELNY-KBPBESRZSA-N 1 3 325.457 -0.116 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000667812179 546063193 /nfs/dbraw/zinc/06/31/93/546063193.db2.gz GHBOSOOERGELNY-KBPBESRZSA-N 1 3 325.457 -0.116 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000673351488 546137770 /nfs/dbraw/zinc/13/77/70/546137770.db2.gz FUBSJVGYZPTPDQ-UHFFFAOYSA-N 1 3 349.435 -0.575 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000680833045 546293626 /nfs/dbraw/zinc/29/36/26/546293626.db2.gz NBCUAHFOOUOAOW-MRXNPFEDSA-N 1 3 327.473 -0.622 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000680833045 546293629 /nfs/dbraw/zinc/29/36/29/546293629.db2.gz NBCUAHFOOUOAOW-MRXNPFEDSA-N 1 3 327.473 -0.622 20 0 EBADHO CC[N@H+](CCO)CCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000681112888 546299939 /nfs/dbraw/zinc/29/99/39/546299939.db2.gz ZIEWBWNJYVULEV-UHFFFAOYSA-N 1 3 329.489 -0.374 20 0 EBADHO CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000681112888 546299943 /nfs/dbraw/zinc/29/99/43/546299943.db2.gz ZIEWBWNJYVULEV-UHFFFAOYSA-N 1 3 329.489 -0.374 20 0 EBADHO CN1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](CN)C1 ZINC000892754515 582586733 /nfs/dbraw/zinc/58/67/33/582586733.db2.gz ARIVTBBLKVVOBW-KGLIPLIRSA-N 1 3 325.457 -0.571 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765845 582587058 /nfs/dbraw/zinc/58/70/58/582587058.db2.gz HFSPETHKVYOVDS-CZUORRHYSA-N 1 3 326.441 -0.489 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000729033237 582683280 /nfs/dbraw/zinc/68/32/80/582683280.db2.gz PPGFAHVXNCONAE-INIZCTEOSA-N 1 3 326.485 -0.071 20 0 EBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@H](O)CN2C)CC1 ZINC000900696075 582777719 /nfs/dbraw/zinc/77/77/19/582777719.db2.gz YBJZPSLUNRQYRQ-RDJZCZTQSA-N 1 3 326.485 -0.169 20 0 EBADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000900696075 582777721 /nfs/dbraw/zinc/77/77/21/582777721.db2.gz YBJZPSLUNRQYRQ-RDJZCZTQSA-N 1 3 326.485 -0.169 20 0 EBADHO OCCN(CCN1CCOCC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903738197 582816445 /nfs/dbraw/zinc/81/64/45/582816445.db2.gz ZEPBDTKQKNMSMH-MRXNPFEDSA-N 1 3 327.469 -0.228 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000804051065 583636910 /nfs/dbraw/zinc/63/69/10/583636910.db2.gz NADDBJQCPDLUOR-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000804051065 583636912 /nfs/dbraw/zinc/63/69/12/583636912.db2.gz NADDBJQCPDLUOR-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000807026855 583657038 /nfs/dbraw/zinc/65/70/38/583657038.db2.gz FILZUADNJSIDKW-KGLIPLIRSA-N 1 3 338.452 -0.434 20 0 EBADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000807776582 583663226 /nfs/dbraw/zinc/66/32/26/583663226.db2.gz DSIKDEKNIHCDFJ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000807776582 583663228 /nfs/dbraw/zinc/66/32/28/583663228.db2.gz DSIKDEKNIHCDFJ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCC(=O)NCCN2CCCCC2)CC1 ZINC000821928722 583805975 /nfs/dbraw/zinc/80/59/75/583805975.db2.gz LEWJINFMNSBLDA-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CCCCC1 ZINC000842016024 584056412 /nfs/dbraw/zinc/05/64/12/584056412.db2.gz QSSZRAWDGWWZJA-KBPBESRZSA-N 1 3 325.457 -0.922 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000842164302 584058567 /nfs/dbraw/zinc/05/85/67/584058567.db2.gz IEZTXCBRLUGFBM-ZIAGYGMSSA-N 1 3 338.452 -0.256 20 0 EBADHO CCCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000842165369 584058893 /nfs/dbraw/zinc/05/88/93/584058893.db2.gz VHRSCBZLOFXWMT-SOUVJXGZSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851669614 584197309 /nfs/dbraw/zinc/19/73/09/584197309.db2.gz ZDFLCAKRLGSAGJ-LLVKDONJSA-N 1 3 335.399 -0.355 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867442565 584408188 /nfs/dbraw/zinc/40/81/88/584408188.db2.gz IUXYLSPJRINMSZ-CABCVRRESA-N 1 3 340.468 -0.424 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867442565 584408190 /nfs/dbraw/zinc/40/81/90/584408190.db2.gz IUXYLSPJRINMSZ-CABCVRRESA-N 1 3 340.468 -0.424 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC1(C)C ZINC000868403922 584428553 /nfs/dbraw/zinc/42/85/53/584428553.db2.gz AZUOGTLBIBVHEL-ZDUSSCGKSA-N 1 3 326.441 -0.495 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@@H](CC[N@@H+]3C)C1)C2=O ZINC000872725098 584466572 /nfs/dbraw/zinc/46/65/72/584466572.db2.gz BPIBZEBTJJIPHZ-KBPBESRZSA-N 1 3 335.452 -0.014 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@@H](CC[N@H+]3C)C1)C2=O ZINC000872725098 584466574 /nfs/dbraw/zinc/46/65/74/584466574.db2.gz BPIBZEBTJJIPHZ-KBPBESRZSA-N 1 3 335.452 -0.014 20 0 EBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000876771448 584523332 /nfs/dbraw/zinc/52/33/32/584523332.db2.gz SHFBBSCRRDHVGS-HAAFXLEYSA-N 1 3 348.451 -0.089 20 0 EBADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)NC1CNC1 ZINC000883606399 584603528 /nfs/dbraw/zinc/60/35/28/584603528.db2.gz RGBJALXFCBQQJI-INIZCTEOSA-N 1 3 343.431 -0.003 20 0 EBADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)NC1CNC1 ZINC000883606399 584603530 /nfs/dbraw/zinc/60/35/30/584603530.db2.gz RGBJALXFCBQQJI-INIZCTEOSA-N 1 3 343.431 -0.003 20 0 EBADHO CN(CCN1CC[NH2+]CC1)C(=O)c1ccnc(N2CCNCC2)c1 ZINC000884027133 584610716 /nfs/dbraw/zinc/61/07/16/584610716.db2.gz UOIHDHQPJFCHKH-UHFFFAOYSA-N 1 3 332.452 -0.532 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000884507737 584625083 /nfs/dbraw/zinc/62/50/83/584625083.db2.gz LGLHSAVSMVETSK-OKILXGFUSA-N 1 3 337.468 -0.909 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884587463 584628969 /nfs/dbraw/zinc/62/89/69/584628969.db2.gz JJVIQIAULSTBMT-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000884604100 584629661 /nfs/dbraw/zinc/62/96/61/584629661.db2.gz ZSJXUMQYMJLOIL-OAHLLOKOSA-N 1 3 340.468 -0.057 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884669830 584632655 /nfs/dbraw/zinc/63/26/55/584632655.db2.gz HZKITZVNULXTBD-CQSZACIVSA-N 1 3 341.500 -0.380 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690160 584634309 /nfs/dbraw/zinc/63/43/09/584634309.db2.gz OHVVKPACNKYLIW-CYBMUJFWSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688220 584634314 /nfs/dbraw/zinc/63/43/14/584634314.db2.gz WDZOYWKGIUGGMI-UONOGXRCSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884706326 584635059 /nfs/dbraw/zinc/63/50/59/584635059.db2.gz ZJQOIEVKUMYFEW-DGAVXFQQSA-N 1 3 338.452 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884706326 584635060 /nfs/dbraw/zinc/63/50/60/584635060.db2.gz ZJQOIEVKUMYFEW-DGAVXFQQSA-N 1 3 338.452 -0.232 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884791234 584637702 /nfs/dbraw/zinc/63/77/02/584637702.db2.gz RZLKRQNFGJOQFD-WRSVWVKZSA-N 1 3 343.431 -0.013 20 0 EBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884787570 584637735 /nfs/dbraw/zinc/63/77/35/584637735.db2.gz VXJZGQHVEUFFKR-QLFBSQMISA-N 1 3 336.436 -0.681 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884791226 584637785 /nfs/dbraw/zinc/63/77/85/584637785.db2.gz RZLKRQNFGJOQFD-VNSJNIRKSA-N 1 3 343.431 -0.013 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884811902 584638265 /nfs/dbraw/zinc/63/82/65/584638265.db2.gz IFQRDXFFKWABDR-CQSZACIVSA-N 1 3 349.435 -0.529 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C ZINC000884823823 584639217 /nfs/dbraw/zinc/63/92/17/584639217.db2.gz GPIJZWQSYLXHSN-VNHYZAJKSA-N 1 3 331.420 -0.015 20 0 EBADHO CCN(C(=O)C(=O)N(C)CCCN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000887068507 584674935 /nfs/dbraw/zinc/67/49/35/584674935.db2.gz MSANVOSLDVVYQH-HNNXBMFYSA-N 1 3 339.484 -0.707 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN2C(=O)N=NC2C1 ZINC000665764269 650032915 /nfs/dbraw/zinc/03/29/15/650032915.db2.gz ZTRFAPUHYVGHLD-LBPRGKRZSA-N 1 3 339.444 -0.219 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN2C(=O)N=NC2C1 ZINC000665764269 650032916 /nfs/dbraw/zinc/03/29/16/650032916.db2.gz ZTRFAPUHYVGHLD-LBPRGKRZSA-N 1 3 339.444 -0.219 20 0 EBADHO O[C@@H](CN[C@H]1CCCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000905446314 650063437 /nfs/dbraw/zinc/06/34/37/650063437.db2.gz GETAOBHPYVUUQT-ROUUACIJSA-N 1 3 340.512 -0.171 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(C)C ZINC000911097656 650151202 /nfs/dbraw/zinc/15/12/02/650151202.db2.gz TVHAFWSWJQBQKT-UHFFFAOYSA-N 1 3 341.500 -0.415 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1(C)C ZINC000911096303 650151337 /nfs/dbraw/zinc/15/13/37/650151337.db2.gz JQVOCVJQSHUVLT-CQSZACIVSA-N 1 3 339.484 -0.674 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911186261 650157585 /nfs/dbraw/zinc/15/75/85/650157585.db2.gz MNSPGIPBELBGKK-AWEZNQCLSA-N 1 3 339.484 -0.674 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911208138 650159641 /nfs/dbraw/zinc/15/96/41/650159641.db2.gz JWUJMVPNQYDZOK-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911313765 650170710 /nfs/dbraw/zinc/17/07/10/650170710.db2.gz USYJHMDFOLWNQS-UHFFFAOYSA-N 1 3 327.473 -0.898 20 0 EBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911313765 650170712 /nfs/dbraw/zinc/17/07/12/650170712.db2.gz USYJHMDFOLWNQS-UHFFFAOYSA-N 1 3 327.473 -0.898 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911336109 650172133 /nfs/dbraw/zinc/17/21/33/650172133.db2.gz FJPVCFWUGRJDOX-HBNTYKKESA-N 1 3 336.358 -0.065 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411889 650179652 /nfs/dbraw/zinc/17/96/52/650179652.db2.gz UYMFGUTVPGMYQI-UHFFFAOYSA-N 1 3 339.484 -0.530 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911411213 650179713 /nfs/dbraw/zinc/17/97/13/650179713.db2.gz GRHACATXHVCYKE-UHFFFAOYSA-N 1 3 339.484 -0.532 20 0 EBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911410998 650179791 /nfs/dbraw/zinc/17/97/91/650179791.db2.gz JAIHVHPOWBVXRS-CQSZACIVSA-N 1 3 339.484 -0.485 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911531295 650191065 /nfs/dbraw/zinc/19/10/65/650191065.db2.gz GOYGIVGOQWZHTG-MRXNPFEDSA-N 1 3 326.441 -0.853 20 0 EBADHO CC(C)N(CCCNC(=O)CN1CC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000923492450 650342278 /nfs/dbraw/zinc/34/22/78/650342278.db2.gz OPYYBRJPQISAKS-CQSZACIVSA-N 1 3 348.513 -0.167 20 0 EBADHO [NH3+]C1(CNS(=O)(=O)C2CNC2)CCN(Cc2ccccc2)CC1 ZINC000923648073 650350488 /nfs/dbraw/zinc/35/04/88/650350488.db2.gz GIPPIHZUROPDDN-UHFFFAOYSA-N 1 3 338.477 -0.129 20 0 EBADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926313010 650385404 /nfs/dbraw/zinc/38/54/04/650385404.db2.gz DLZPEIZWCOMEJV-UHFFFAOYSA-N 1 3 339.484 -0.802 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)CC[C@H]1C[NH3+] ZINC000926336538 650387034 /nfs/dbraw/zinc/38/70/34/650387034.db2.gz XYFMGXMLRMOOCE-RDBSUJKOSA-N 1 3 326.441 -0.781 20 0 EBADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@@H](C)C1 ZINC000926347936 650388012 /nfs/dbraw/zinc/38/80/12/650388012.db2.gz PABOELSQPNPCDL-LSDHHAIUSA-N 1 3 339.484 -0.804 20 0 EBADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@@H](C)C1 ZINC000926347936 650388013 /nfs/dbraw/zinc/38/80/13/650388013.db2.gz PABOELSQPNPCDL-LSDHHAIUSA-N 1 3 339.484 -0.804 20 0 EBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@H]1C ZINC000926345027 650388197 /nfs/dbraw/zinc/38/81/97/650388197.db2.gz NAWDPRXXOVDJGY-CABCVRRESA-N 1 3 339.484 -0.661 20 0 EBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@H]1C ZINC000926345027 650388198 /nfs/dbraw/zinc/38/81/98/650388198.db2.gz NAWDPRXXOVDJGY-CABCVRRESA-N 1 3 339.484 -0.661 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1CC)C[NH+](C)C ZINC000932467523 651681617 /nfs/dbraw/zinc/68/16/17/651681617.db2.gz JNUCZEWOTBXYDV-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C[NH+](C)C ZINC000932470992 651682728 /nfs/dbraw/zinc/68/27/28/651682728.db2.gz CYGBUEWZJAVTFD-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000946918208 653261488 /nfs/dbraw/zinc/26/14/88/653261488.db2.gz FNVZLTGXFWZOKV-KGLIPLIRSA-N 1 3 338.452 -0.746 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC000946924906 653270354 /nfs/dbraw/zinc/27/03/54/653270354.db2.gz LGTZWTJPXNDLMZ-KGLIPLIRSA-N 1 3 338.452 -0.842 20 0 EBADHO CN1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946925785 653271786 /nfs/dbraw/zinc/27/17/86/653271786.db2.gz UIUBYDZXGXNKRJ-KBPBESRZSA-N 1 3 338.452 -0.698 20 0 EBADHO CN1CCC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403097 719423929 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C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001065672551 739836450 /nfs/dbraw/zinc/83/64/50/739836450.db2.gz UQESFJDRTFYMLL-ZFWWWQNUSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001065672551 739836457 /nfs/dbraw/zinc/83/64/57/739836457.db2.gz UQESFJDRTFYMLL-ZFWWWQNUSA-N 1 3 349.435 -0.362 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068939205 740501916 /nfs/dbraw/zinc/50/19/16/740501916.db2.gz BJMYEJDUVDETBS-ZDUSSCGKSA-N 1 3 349.435 -0.302 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069015442 740524156 /nfs/dbraw/zinc/52/41/56/740524156.db2.gz RRHXEQFSTPNACL-CYBMUJFWSA-N 1 3 335.408 -0.610 20 0 EBADHO Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1[NH2+]CCO ZINC001070710470 740924220 /nfs/dbraw/zinc/92/42/20/740924220.db2.gz BOEMAGNLAWHCLX-CHWSQXEVSA-N 1 3 346.435 -0.003 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433702 741399383 /nfs/dbraw/zinc/39/93/83/741399383.db2.gz ZSDDAWDBVRNCEZ-LSDHHAIUSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433591 741613249 /nfs/dbraw/zinc/61/32/49/741613249.db2.gz FEGVSDHNODPYJO-UONOGXRCSA-N 1 3 338.452 -0.637 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN([C@@H](C)C(N)=O)C2 ZINC001073433590 741613386 /nfs/dbraw/zinc/61/33/86/741613386.db2.gz FEGVSDHNODPYJO-KGLIPLIRSA-N 1 3 338.452 -0.637 20 0 EBADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001076924190 742647131 /nfs/dbraw/zinc/64/71/31/742647131.db2.gz CMYVWAYQBIPDAM-AWEZNQCLSA-N 1 3 330.473 -0.084 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418745 742964150 /nfs/dbraw/zinc/96/41/50/742964150.db2.gz ZASTUPWGTAELAJ-DSZOFWSKSA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418745 742964156 /nfs/dbraw/zinc/96/41/56/742964156.db2.gz ZASTUPWGTAELAJ-DSZOFWSKSA-N 1 3 335.448 -0.189 20 0 EBADHO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001077495906 743019949 /nfs/dbraw/zinc/01/99/49/743019949.db2.gz VYKHBRYXHMAQHT-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C ZINC001077495886 743020796 /nfs/dbraw/zinc/02/07/96/743020796.db2.gz VIRPYHQHTFOYRU-AWEZNQCLSA-N 1 3 330.473 -0.084 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078174820 743515136 /nfs/dbraw/zinc/51/51/36/743515136.db2.gz UCPGIOQEUGHBPO-BZUAXINKSA-N 1 3 325.453 -0.084 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078174820 743515142 /nfs/dbraw/zinc/51/51/42/743515142.db2.gz UCPGIOQEUGHBPO-BZUAXINKSA-N 1 3 325.453 -0.084 20 0 EBADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001078412361 743637437 /nfs/dbraw/zinc/63/74/37/743637437.db2.gz YRSYVWYEPTUYCP-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001078499457 743680848 /nfs/dbraw/zinc/68/08/48/743680848.db2.gz YZWUMMJXLGHZJZ-ZIAGYGMSSA-N 1 3 336.436 -0.822 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000977206062 804220469 /nfs/dbraw/zinc/22/04/69/804220469.db2.gz ZXONWXKEJYJZNO-LJIGWXMPSA-N 1 3 346.475 -0.003 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC000985333547 807487786 /nfs/dbraw/zinc/48/77/86/807487786.db2.gz HLPVNTLXEXMUKY-UONOGXRCSA-N 1 3 336.436 -0.191 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC000985333547 807487791 /nfs/dbraw/zinc/48/77/91/807487791.db2.gz HLPVNTLXEXMUKY-UONOGXRCSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491553 808488493 /nfs/dbraw/zinc/48/84/93/808488493.db2.gz HTQKBAARFUJXIS-PWSUYJOCSA-N 1 3 334.380 -0.917 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC1 ZINC000991573857 809660321 /nfs/dbraw/zinc/66/03/21/809660321.db2.gz PJWUHGIKFOITFJ-HUUCEWRRSA-N 1 3 349.435 -0.628 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664299 810269974 /nfs/dbraw/zinc/26/99/74/810269974.db2.gz VOKXCCNDVIGONX-FDYHWXHSSA-N 1 3 339.440 -0.781 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664299 810269981 /nfs/dbraw/zinc/26/99/81/810269981.db2.gz VOKXCCNDVIGONX-FDYHWXHSSA-N 1 3 339.440 -0.781 20 0 EBADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)NC(N)=O ZINC001214888974 810288732 /nfs/dbraw/zinc/28/87/32/810288732.db2.gz FGBMVJQUBNANOQ-FRRDWIJNSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)NC(N)=O ZINC001214888974 810288740 /nfs/dbraw/zinc/28/87/40/810288740.db2.gz FGBMVJQUBNANOQ-FRRDWIJNSA-N 1 3 339.440 -0.508 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001214952845 810295122 /nfs/dbraw/zinc/29/51/22/810295122.db2.gz OYWATEOHHRPTGT-MGPQQGTHSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536413 810334568 /nfs/dbraw/zinc/33/45/68/810334568.db2.gz QRSGUUPSDXNANT-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215536123 810335406 /nfs/dbraw/zinc/33/54/06/810335406.db2.gz JEAPHGBSLCKWBT-IJLUTSLNSA-N 1 3 325.413 -0.898 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680892 810340085 /nfs/dbraw/zinc/34/00/85/810340085.db2.gz NJJJKCMEPCOXTR-VHDGCEQUSA-N 1 3 340.424 -0.587 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215989473 810353618 /nfs/dbraw/zinc/35/36/18/810353618.db2.gz DBAYZBTVPRTSOF-GRYCIOLGSA-N 1 3 327.429 -0.652 20 0 EBADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401868 810371699 /nfs/dbraw/zinc/37/16/99/810371699.db2.gz PWPCKXCDEMFDPD-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216503312 810375312 /nfs/dbraw/zinc/37/53/12/810375312.db2.gz OGJDIYHKKMNWDF-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CN1CCN(c2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)ncn2)CC1 ZINC001218572263 810505378 /nfs/dbraw/zinc/50/53/78/810505378.db2.gz HLCJMDBMWBJWQV-CXAGYDPISA-N 1 3 345.451 -0.634 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724323 810523732 /nfs/dbraw/zinc/52/37/32/810523732.db2.gz HQIZDXMVRHORRU-QWRGUYRKSA-N 1 3 334.424 -0.201 20 0 EBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029914 810557909 /nfs/dbraw/zinc/55/79/09/810557909.db2.gz SWROJCMMGHPSDL-OAHLLOKOSA-N 1 3 333.436 -0.143 20 0 EBADHO COc1cc2c(cc1NC(=O)[C@@H]1CNCCN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503115 810724802 /nfs/dbraw/zinc/72/48/02/810724802.db2.gz BCQKAMQQPQVBGY-SUMWQHHRSA-N 1 3 345.403 -0.622 20 0 EBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1COC2(CNC2)CN1 ZINC001219538252 810741772 /nfs/dbraw/zinc/74/17/72/810741772.db2.gz WRZGEURSUPMYSW-QKCSRTOESA-N 1 3 330.388 -0.597 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741881 810819358 /nfs/dbraw/zinc/81/93/58/810819358.db2.gz WXSFBKXYOJYOCQ-RYUDHWBXSA-N 1 3 327.429 -0.820 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743953 810820081 /nfs/dbraw/zinc/82/00/81/810820081.db2.gz PWWFMGSKVWHPNT-GUTXKFCHSA-N 1 3 340.468 -0.107 20 0 EBADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cncc2c1CCNC2 ZINC001219843811 810874595 /nfs/dbraw/zinc/87/45/95/810874595.db2.gz DBZARZURXZEDGL-FZKQIMNGSA-N 1 3 346.431 -0.148 20 0 EBADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1CCNC2 ZINC001219843698 810875127 /nfs/dbraw/zinc/87/51/27/810875127.db2.gz BIUHUYBSHZWLBO-BDJLRTHQSA-N 1 3 335.408 -0.820 20 0 EBADHO COC(=O)[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1ccc(O)cc1 ZINC001219885176 810894994 /nfs/dbraw/zinc/89/49/94/810894994.db2.gz JRXPVDJLHOAHPN-NWDGAFQWSA-N 1 3 327.406 -0.258 20 0 EBADHO COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(OC)cc1 ZINC001219975366 810933093 /nfs/dbraw/zinc/93/30/93/810933093.db2.gz RFUVDQKBZFIJIT-KBPBESRZSA-N 1 3 333.388 -0.166 20 0 EBADHO C[S@](=O)CC[C@H](N)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022226 810951382 /nfs/dbraw/zinc/95/13/82/810951382.db2.gz CHLKFRQLWDOTEE-PSLXWICFSA-N 1 3 339.461 -0.161 20 0 EBADHO CCOC(=O)C(=CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)OCC ZINC001220041790 810958516 /nfs/dbraw/zinc/95/85/16/810958516.db2.gz ZUPRPRKGRZYSTO-BDJLRTHQSA-N 1 3 339.392 -0.688 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)COC1(C)C ZINC001220254009 811036993 /nfs/dbraw/zinc/03/69/93/811036993.db2.gz JBDODOLTHQJUTC-AVGNSLFASA-N 1 3 326.441 -0.102 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)COC1(C)C ZINC001220254009 811037002 /nfs/dbraw/zinc/03/70/02/811037002.db2.gz JBDODOLTHQJUTC-AVGNSLFASA-N 1 3 326.441 -0.102 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220276486 811043314 /nfs/dbraw/zinc/04/33/14/811043314.db2.gz CCFRPMDZHQPIDI-CABCVRRESA-N 1 3 338.456 -0.439 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H](N)CSCC[NH3+])CCN(C)CC1 ZINC001220345826 811063101 /nfs/dbraw/zinc/06/31/01/811063101.db2.gz PVMNUBMUOGQBLV-NSHDSACASA-N 1 3 332.470 -0.851 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036197114 811117577 /nfs/dbraw/zinc/11/75/77/811117577.db2.gz DETAJMGNAMVKNP-DGCLKSJQSA-N 1 3 348.407 -0.669 20 0 EBADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220567806 811157882 /nfs/dbraw/zinc/15/78/82/811157882.db2.gz MUYCZOCSRRDVSM-STQMWFEESA-N 1 3 340.449 -0.309 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220768543 811233981 /nfs/dbraw/zinc/23/39/81/811233981.db2.gz QMZQXOABFYLKCC-OAGGEKHMSA-N 1 3 343.468 -0.315 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220768450 811234834 /nfs/dbraw/zinc/23/48/34/811234834.db2.gz MFCRPXHDKUMTLS-ZNMIVQPWSA-N 1 3 329.441 -0.705 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220768544 811234956 /nfs/dbraw/zinc/23/49/56/811234956.db2.gz QMZQXOABFYLKCC-XHSDSOJGSA-N 1 3 343.468 -0.315 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001220768593 811235055 /nfs/dbraw/zinc/23/50/55/811235055.db2.gz SYQBMBOVFXLXAG-CVEARBPZSA-N 1 3 343.468 -0.457 20 0 EBADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001221006225 811341832 /nfs/dbraw/zinc/34/18/32/811341832.db2.gz CMXMRMKJTZWSJP-YDHLFZDLSA-N 1 3 326.441 -0.497 20 0 EBADHO Cc1nnc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])o1 ZINC001221011004 811343807 /nfs/dbraw/zinc/34/38/07/811343807.db2.gz WMKILMPNLSITOG-RYUDHWBXSA-N 1 3 338.412 -0.558 20 0 EBADHO CCC(CC)[C@@H](NC(=O)C1(N)CC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070414 811362407 /nfs/dbraw/zinc/36/24/07/811362407.db2.gz QQDARERGVROFML-RYMFRWLXSA-N 1 3 341.452 -0.104 20 0 EBADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221257076 811428322 /nfs/dbraw/zinc/42/83/22/811428322.db2.gz WXYKTYZPPRJEKF-RYUDHWBXSA-N 1 3 343.453 -0.970 20 0 EBADHO O=C1NCC[C@@]12CN(Cc1nc3c(s1)CNCC3)CC21C[NH2+]C1 ZINC001222526840 811638628 /nfs/dbraw/zinc/63/86/28/811638628.db2.gz GNDVOJRNMGSLSZ-MRXNPFEDSA-N 1 3 333.461 -0.300 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001228661901 811993565 /nfs/dbraw/zinc/99/35/65/811993565.db2.gz ZTSXYTIBCHSGQJ-UPJWGTAASA-N 1 3 341.456 -0.201 20 0 EBADHO COCCOC[C@H](O)C[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230367341 812108755 /nfs/dbraw/zinc/10/87/55/812108755.db2.gz VTKZWIQVONTYGP-MRXNPFEDSA-N 1 3 345.484 -0.069 20 0 EBADHO CCCN(C)CC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080988842 812427120 /nfs/dbraw/zinc/42/71/20/812427120.db2.gz FNARYTNDMPAHFK-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080989019 812427859 /nfs/dbraw/zinc/42/78/59/812427859.db2.gz LHSFTUWEQUCHOY-CQSZACIVSA-N 1 3 340.468 -0.498 20 0 EBADHO [NH3+]CCS(=O)(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001238801082 812532445 /nfs/dbraw/zinc/53/24/45/812532445.db2.gz MFGIEMPXUHXYFE-UHFFFAOYSA-N 1 3 332.470 -0.659 20 0 EBADHO COC(=O)c1ccc([C@H](N)CNS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC001238919184 812535894 /nfs/dbraw/zinc/53/58/94/812535894.db2.gz JAQVEWALRFDAAL-CHWSQXEVSA-N 1 3 327.406 -0.246 20 0 EBADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCN1CCNCC1=O ZINC001246009905 812559925 /nfs/dbraw/zinc/55/99/25/812559925.db2.gz JIZKOFVDEVYPIN-LSDHHAIUSA-N 1 3 342.390 -0.783 20 0 EBADHO COC(=O)[C@H](N)[C@H]1CCCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057294 812562191 /nfs/dbraw/zinc/56/21/91/812562191.db2.gz YLNIILSIVONLTG-BFHYXJOUSA-N 1 3 329.441 -0.936 20 0 EBADHO COC(=O)[C@H](N)[C@H]1CCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057301 812562226 /nfs/dbraw/zinc/56/22/26/812562226.db2.gz YLNIILSIVONLTG-MELADBBJSA-N 1 3 329.441 -0.936 20 0 EBADHO NC(=O)[C@H](CC(=O)OCc1ccccc1)N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246237532 812569573 /nfs/dbraw/zinc/56/95/73/812569573.db2.gz HOUILLULSHNKET-GJZGRUSLSA-N 1 3 346.431 -0.343 20 0 EBADHO O=C([C@@H]1C[C@@H](N2CC[C@H]3COC[C@@H](C2)N3)C[NH2+]1)N1CCSC1 ZINC001246851426 812590042 /nfs/dbraw/zinc/59/00/42/812590042.db2.gz GAKGHWMTNJEYIY-DGAVXFQQSA-N 1 3 326.466 -0.688 20 0 EBADHO CC[C@]1(C(=O)OC)C[C@@H]([NH+]2CCC([C@@H](N)C(=O)OC)CC2)CN1 ZINC001246866223 812591491 /nfs/dbraw/zinc/59/14/91/812591491.db2.gz AMHHMJKBXSQMJK-XJKCOSOUSA-N 1 3 327.425 -0.118 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)O3 ZINC001247013863 812595621 /nfs/dbraw/zinc/59/56/21/812595621.db2.gz ZTVIOQVMNFLMAT-UMBPPFEGSA-N 1 3 327.450 -0.481 20 0 EBADHO CCOC(=O)CNC(=O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252944087 812670391 /nfs/dbraw/zinc/67/03/91/812670391.db2.gz OFPKJSDIVUUORZ-SFHVURJKSA-N 1 3 349.431 -0.108 20 0 EBADHO COC(=O)CNC(=O)CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051772 812692812 /nfs/dbraw/zinc/69/28/12/812692812.db2.gz ZZHRRXWDZWXMKT-UHFFFAOYSA-N 1 3 349.431 -0.108 20 0 EBADHO COC(=O)[C@@H](C[NH3+])CN[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257720436 812770035 /nfs/dbraw/zinc/77/00/35/812770035.db2.gz GTFYYKVJFNYLPQ-NNYUYHANSA-N 1 3 330.381 -0.545 20 0 EBADHO CN1CCN(CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001261643768 812958333 /nfs/dbraw/zinc/95/83/33/812958333.db2.gz FQCCHNFXYWWYDB-OAHLLOKOSA-N 1 3 349.483 -0.040 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001262569311 813096402 /nfs/dbraw/zinc/09/64/02/813096402.db2.gz VESYXHBREIIUNA-SJORKVTESA-N 1 3 327.517 -0.790 20 0 EBADHO [NH3+]CCN1CCC[C@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1=O ZINC001263160598 813108291 /nfs/dbraw/zinc/10/82/91/813108291.db2.gz IOGQLBSAFIKMRX-HUUCEWRRSA-N 1 3 338.452 -0.447 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081554073 813169739 /nfs/dbraw/zinc/16/97/39/813169739.db2.gz REAGWNVXNKTRFA-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265460042 813328496 /nfs/dbraw/zinc/32/84/96/813328496.db2.gz WUROFGDILTUHNB-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266204879 813478495 /nfs/dbraw/zinc/47/84/95/813478495.db2.gz ZMZCETGZXJIWMI-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001266204879 813478500 /nfs/dbraw/zinc/47/85/00/813478500.db2.gz ZMZCETGZXJIWMI-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266262310 813497162 /nfs/dbraw/zinc/49/71/62/813497162.db2.gz HLMDNHCAVTZHTM-INIZCTEOSA-N 1 3 326.485 -0.025 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266262310 813497165 /nfs/dbraw/zinc/49/71/65/813497165.db2.gz HLMDNHCAVTZHTM-INIZCTEOSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001266704003 813645858 /nfs/dbraw/zinc/64/58/58/813645858.db2.gz QIRYGGCEBMRAAG-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCO[C@H](C)C2)CC[N@H+]1C ZINC001266704003 813645861 /nfs/dbraw/zinc/64/58/61/813645861.db2.gz QIRYGGCEBMRAAG-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO CC[C@@H](C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833983 813680616 /nfs/dbraw/zinc/68/06/16/813680616.db2.gz CBINEASBBXFPTQ-STQMWFEESA-N 1 3 326.441 -0.040 20 0 EBADHO CC[C@@H](C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833981 813680689 /nfs/dbraw/zinc/68/06/89/813680689.db2.gz CBINEASBBXFPTQ-OLZOCXBDSA-N 1 3 326.441 -0.040 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O ZINC001266880810 813690474 /nfs/dbraw/zinc/69/04/74/813690474.db2.gz OTLKGYZXIHKZAO-ZDUSSCGKSA-N 1 3 341.456 -0.116 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267022697 813737182 /nfs/dbraw/zinc/73/71/82/813737182.db2.gz MIKKWFDVPFBSAM-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267022697 813737184 /nfs/dbraw/zinc/73/71/84/813737184.db2.gz MIKKWFDVPFBSAM-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001267416213 813884800 /nfs/dbraw/zinc/88/48/00/813884800.db2.gz HVPKRJNWNCVMIV-GFCCVEGCSA-N 1 3 327.429 -0.649 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001267416213 813884809 /nfs/dbraw/zinc/88/48/09/813884809.db2.gz HVPKRJNWNCVMIV-GFCCVEGCSA-N 1 3 327.429 -0.649 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N1CCC1 ZINC001082515556 813960041 /nfs/dbraw/zinc/96/00/41/813960041.db2.gz QYUXAJPNOPBEQU-FVQBIDKESA-N 1 3 334.464 -0.003 20 0 EBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082827955 814013291 /nfs/dbraw/zinc/01/32/91/814013291.db2.gz JCMLSTSPNMROSX-VHDGCEQUSA-N 1 3 338.452 -0.578 20 0 EBADHO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268080558 814119375 /nfs/dbraw/zinc/11/93/75/814119375.db2.gz YFLRNDWUGKNRLC-QWHCGFSZSA-N 1 3 334.486 -0.592 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C/CN[C@H]2CCNC2=O)n1 ZINC001268539576 814279690 /nfs/dbraw/zinc/27/96/90/814279690.db2.gz VJUVLGBGDIDGTJ-OOPCZODUSA-N 1 3 334.424 -0.791 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268645817 814335094 /nfs/dbraw/zinc/33/50/94/814335094.db2.gz ILPJISBPOSMGLM-OLZOCXBDSA-N 1 3 339.440 -0.495 20 0 EBADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083372697 814343666 /nfs/dbraw/zinc/34/36/66/814343666.db2.gz AZRQDEUJVQGOSQ-ILXRZTDVSA-N 1 3 338.452 -0.746 20 0 EBADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083372697 814343670 /nfs/dbraw/zinc/34/36/70/814343670.db2.gz AZRQDEUJVQGOSQ-ILXRZTDVSA-N 1 3 338.452 -0.746 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001268711819 814361056 /nfs/dbraw/zinc/36/10/56/814361056.db2.gz WJKGFLJTDBEHHD-NWDGAFQWSA-N 1 3 341.456 -0.249 20 0 EBADHO CN(CCC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CCCCN1C ZINC001268801647 814391369 /nfs/dbraw/zinc/39/13/69/814391369.db2.gz HKIYMGOYIJHPCI-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001268803066 814392030 /nfs/dbraw/zinc/39/20/30/814392030.db2.gz WCVMGLNLYDRLIG-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)N1CCCC1 ZINC001269248969 814594338 /nfs/dbraw/zinc/59/43/38/814594338.db2.gz VRMZBRQXHOKZKI-CQSZACIVSA-N 1 3 338.452 -0.528 20 0 EBADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001269471246 814706120 /nfs/dbraw/zinc/70/61/20/814706120.db2.gz HQYYROLNOVALPV-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001269544959 814722717 /nfs/dbraw/zinc/72/27/17/814722717.db2.gz YVQUGRLEXSMJJB-ZDUSSCGKSA-N 1 3 336.436 -0.094 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001270298234 815744662 /nfs/dbraw/zinc/74/46/62/815744662.db2.gz DHXBBGDAWWJJMV-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO CN(C)CCN1CC2(CN(C(=O)CCCC[NH+](C)C)C2)OCC1=O ZINC001271250127 816051718 /nfs/dbraw/zinc/05/17/18/816051718.db2.gz PUCZECGRYIWQEP-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001272565728 816477721 /nfs/dbraw/zinc/47/77/21/816477721.db2.gz PMIIGMFCGFYYEL-HNNXBMFYSA-N 1 3 332.452 -0.727 20 0 EBADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001272565728 816477727 /nfs/dbraw/zinc/47/77/27/816477727.db2.gz PMIIGMFCGFYYEL-HNNXBMFYSA-N 1 3 332.452 -0.727 20 0 EBADHO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001273184884 816602305 /nfs/dbraw/zinc/60/23/05/816602305.db2.gz UTAHQYHEVMOPEJ-STQMWFEESA-N 1 3 339.444 -0.837 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273383153 816662230 /nfs/dbraw/zinc/66/22/30/816662230.db2.gz XOVLZJJHRYGKOY-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273383153 816662238 /nfs/dbraw/zinc/66/22/38/816662238.db2.gz XOVLZJJHRYGKOY-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@@H]1COCCO1)C2 ZINC001273773616 816756344 /nfs/dbraw/zinc/75/63/44/816756344.db2.gz HQBNSJHVNHSIGL-NVXWUHKLSA-N 1 3 341.452 -0.486 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001274278412 816918163 /nfs/dbraw/zinc/91/81/63/816918163.db2.gz AFFOISLIUGBVMV-STQMWFEESA-N 1 3 334.486 -0.686 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518962 816989743 /nfs/dbraw/zinc/98/97/43/816989743.db2.gz MEISWDGGPWQBTN-KTRBRXNASA-N 1 3 327.429 -0.710 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001274797012 817088685 /nfs/dbraw/zinc/08/86/85/817088685.db2.gz KPIVULJKRSCBEJ-KGLIPLIRSA-N 1 3 348.513 -0.298 20 0 EBADHO C[C@@H](CN(C)CCN1C(=O)CNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001275697050 817274657 /nfs/dbraw/zinc/27/46/57/817274657.db2.gz CTTJRTVAUPJFFW-LBPRGKRZSA-N 1 3 337.424 -0.930 20 0 EBADHO O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356027 817298154 /nfs/dbraw/zinc/29/81/54/817298154.db2.gz TWVPFEMABKYNGS-HUUCEWRRSA-N 1 3 325.453 -0.204 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001277778013 817634917 /nfs/dbraw/zinc/63/49/17/817634917.db2.gz YUAXAMOZLLPCOQ-UONOGXRCSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001277824115 817641530 /nfs/dbraw/zinc/64/15/30/817641530.db2.gz TWHBESDYWIQCER-HZPDHXFCSA-N 1 3 340.468 -0.186 20 0 EBADHO Cn1ncnc1C(=O)N1CC2(CN(CCC[NH+]3CCN(C)CC3)C2)C1 ZINC001278113755 817702273 /nfs/dbraw/zinc/70/22/73/817702273.db2.gz AYRXGTVLSLJCBE-UHFFFAOYSA-N 1 3 347.467 -0.790 20 0 EBADHO C[C@@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399175 817752372 /nfs/dbraw/zinc/75/23/72/817752372.db2.gz VATFDTVNUCYZOO-OCCSQVGLSA-N 1 3 346.497 -0.544 20 0 EBADHO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090814178 817770132 /nfs/dbraw/zinc/77/01/32/817770132.db2.gz JHPKNLMVNRYQQN-GJZGRUSLSA-N 1 3 338.452 -0.744 20 0 EBADHO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090814178 817770139 /nfs/dbraw/zinc/77/01/39/817770139.db2.gz JHPKNLMVNRYQQN-GJZGRUSLSA-N 1 3 338.452 -0.744 20 0 EBADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373638 819156275 /nfs/dbraw/zinc/15/62/75/819156275.db2.gz JDRCPQWEUDTLNN-CVEARBPZSA-N 1 3 341.452 -0.873 20 0 EBADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1)N(C)C ZINC001098403995 819172062 /nfs/dbraw/zinc/17/20/62/819172062.db2.gz BQWYOVCICRKZGX-HZPDHXFCSA-N 1 3 345.484 -0.381 20 0 EBADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)C[C@@H](O)COC)CC1)N(C)C ZINC001098403995 819172065 /nfs/dbraw/zinc/17/20/65/819172065.db2.gz BQWYOVCICRKZGX-HZPDHXFCSA-N 1 3 345.484 -0.381 20 0 EBADHO C[C@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001284854504 819374037 /nfs/dbraw/zinc/37/40/37/819374037.db2.gz HNGWCFJMEXCUFQ-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CCOCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001284875163 819384336 /nfs/dbraw/zinc/38/43/36/819384336.db2.gz WMEZKUPPTMPKEA-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCOCCN[C@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284876309 819385473 /nfs/dbraw/zinc/38/54/73/819385473.db2.gz SSWVZOFVYMWKFX-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001284876222 819386124 /nfs/dbraw/zinc/38/61/24/819386124.db2.gz QEIGPTROTCXQKR-INIZCTEOSA-N 1 3 346.447 -0.251 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001284876222 819386129 /nfs/dbraw/zinc/38/61/29/819386129.db2.gz QEIGPTROTCXQKR-INIZCTEOSA-N 1 3 346.447 -0.251 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001284877059 819386298 /nfs/dbraw/zinc/38/62/98/819386298.db2.gz SNIXTKFWKNJKIO-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001284877059 819386305 /nfs/dbraw/zinc/38/63/05/819386305.db2.gz SNIXTKFWKNJKIO-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001284914018 819404771 /nfs/dbraw/zinc/40/47/71/819404771.db2.gz QVHNHDZZMDSRBY-HNNXBMFYSA-N 1 3 328.457 -0.522 20 0 EBADHO O=C(N[C@]12CCC[C@H]1CN([C@@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099122578 819421529 /nfs/dbraw/zinc/42/15/29/819421529.db2.gz APSIRAXQVMEETP-IYOUNJFTSA-N 1 3 332.448 -0.059 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001100050593 820125907 /nfs/dbraw/zinc/12/59/07/820125907.db2.gz KRRREVHAKGCYLZ-LSDHHAIUSA-N 1 3 329.441 -0.969 20 0 EBADHO CS(=O)(=O)CCNC1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100335171 820364599 /nfs/dbraw/zinc/36/45/99/820364599.db2.gz MZFYHRHLPFZAHZ-PESDSKBTSA-N 1 3 343.493 -0.143 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100676132 820507807 /nfs/dbraw/zinc/50/78/07/820507807.db2.gz ICVXSZFQHUVNPL-IYXRBSQSSA-N 1 3 346.497 -0.496 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)COCC[NH+](C)C)CC1)N(C)C ZINC001292413723 820539779 /nfs/dbraw/zinc/53/97/79/820539779.db2.gz IOMUSAGBDYRZFF-INIZCTEOSA-N 1 3 342.484 -0.178 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769572 820547164 /nfs/dbraw/zinc/54/71/64/820547164.db2.gz QCVPFJYICFTGPI-UHFFFAOYSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295325 821061822 /nfs/dbraw/zinc/06/18/22/821061822.db2.gz DMUISKMZAQZFOA-FRRDWIJNSA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001103250029 821278972 /nfs/dbraw/zinc/27/89/72/821278972.db2.gz YQFZKEDGGLKDOD-HCBPCCMXSA-N 1 3 337.464 -0.084 20 0 EBADHO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001103250029 821278982 /nfs/dbraw/zinc/27/89/82/821278982.db2.gz YQFZKEDGGLKDOD-HCBPCCMXSA-N 1 3 337.464 -0.084 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104937763 821565348 /nfs/dbraw/zinc/56/53/48/821565348.db2.gz GMCRGZRTVGUOHX-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001317186013 822031218 /nfs/dbraw/zinc/03/12/18/822031218.db2.gz ZCFMWSWOFMTCLE-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001317295533 822071620 /nfs/dbraw/zinc/07/16/20/822071620.db2.gz ZVPIOMYVAKNTEM-GFCCVEGCSA-N 1 3 341.456 -0.249 20 0 EBADHO CN(CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)S(C)(=O)=O ZINC001317313647 822079749 /nfs/dbraw/zinc/07/97/49/822079749.db2.gz RNVLMZGDKPVQHR-ZIAGYGMSSA-N 1 3 346.497 -0.590 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317344442 822089366 /nfs/dbraw/zinc/08/93/66/822089366.db2.gz SCUYRKFHIVPBCF-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC001317532590 822147648 /nfs/dbraw/zinc/14/76/48/822147648.db2.gz MAIZWUVVCGPGPG-AWEZNQCLSA-N 1 3 338.452 -0.085 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC001317532590 822147653 /nfs/dbraw/zinc/14/76/53/822147653.db2.gz MAIZWUVVCGPGPG-AWEZNQCLSA-N 1 3 338.452 -0.085 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106910693 822352902 /nfs/dbraw/zinc/35/29/02/822352902.db2.gz KITKSZSRWOZFKW-ZIAGYGMSSA-N 1 3 348.513 -0.439 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001129333983 828599867 /nfs/dbraw/zinc/59/98/67/828599867.db2.gz KSSXAULHXYJPKM-NWDGAFQWSA-N 1 3 327.429 -0.747 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001129333983 828599869 /nfs/dbraw/zinc/59/98/69/828599869.db2.gz KSSXAULHXYJPKM-NWDGAFQWSA-N 1 3 327.429 -0.747 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449132 828621554 /nfs/dbraw/zinc/62/15/54/828621554.db2.gz ISCGFERGHGWSHR-MRXNPFEDSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129535359 828631945 /nfs/dbraw/zinc/63/19/45/828631945.db2.gz OGNWBDWICSHOOP-ZFWWWQNUSA-N 1 3 340.468 -0.140 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001129856572 828682673 /nfs/dbraw/zinc/68/26/73/828682673.db2.gz UMCMTDQDLWSQRX-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001129856572 828682675 /nfs/dbraw/zinc/68/26/75/828682675.db2.gz UMCMTDQDLWSQRX-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001129947171 828698422 /nfs/dbraw/zinc/69/84/22/828698422.db2.gz MSQDIYOWODJXRM-HIFRSBDPSA-N 1 3 328.457 -0.426 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NCc1cccnc1)[NH+](C)C ZINC001129947251 828698539 /nfs/dbraw/zinc/69/85/39/828698539.db2.gz QTNZDUOHTCLTDH-INIZCTEOSA-N 1 3 335.452 -0.010 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001129949948 828699233 /nfs/dbraw/zinc/69/92/33/828699233.db2.gz KWUINHISXIFXOL-KGLIPLIRSA-N 1 3 348.513 -0.440 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983370 828707422 /nfs/dbraw/zinc/70/74/22/828707422.db2.gz ZFFHRUNIUDFSDY-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO O=C(CNCCNC(=O)C12CCC[NH+](CCC1)C2)N1CCOCC1 ZINC001130169938 828743853 /nfs/dbraw/zinc/74/38/53/828743853.db2.gz KKOBWOGHZHBUEX-UHFFFAOYSA-N 1 3 338.452 -0.573 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122943 828736551 /nfs/dbraw/zinc/73/65/51/828736551.db2.gz COODIVMVOZWCQK-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122943 828736552 /nfs/dbraw/zinc/73/65/52/828736552.db2.gz COODIVMVOZWCQK-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001130203774 828755266 /nfs/dbraw/zinc/75/52/66/828755266.db2.gz XFYWMQMGQNCOEE-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112159873 825395423 /nfs/dbraw/zinc/39/54/23/825395423.db2.gz FKXRDNXICJVLRK-VXGBXAGGSA-N 1 3 341.374 -0.074 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001130427964 828831110 /nfs/dbraw/zinc/83/11/10/828831110.db2.gz WSHIPVPQWOWGKO-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001130427964 828831118 /nfs/dbraw/zinc/83/11/18/828831118.db2.gz WSHIPVPQWOWGKO-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001114404692 826235967 /nfs/dbraw/zinc/23/59/67/826235967.db2.gz FXLUFMHZKLNQHZ-IXKJSCDLSA-N 1 3 348.447 -0.478 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001179987309 833031348 /nfs/dbraw/zinc/03/13/48/833031348.db2.gz PMSXJFGWWOEKBN-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001180226874 833059812 /nfs/dbraw/zinc/05/98/12/833059812.db2.gz RIBFNQHNYLLZHK-GJZGRUSLSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001180226691 833060357 /nfs/dbraw/zinc/06/03/57/833060357.db2.gz GXHKWZVXFQYRCK-WOPDTQHZSA-N 1 3 327.429 -0.511 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226884 833060379 /nfs/dbraw/zinc/06/03/79/833060379.db2.gz RQZIIKTVDMAMLY-AGIUHOORSA-N 1 3 341.456 -0.250 20 0 EBADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1)N(C)C ZINC001115734502 826576772 /nfs/dbraw/zinc/57/67/72/826576772.db2.gz QDFNYIFXSNQVJQ-LBPRGKRZSA-N 1 3 341.456 -0.070 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427452 827108445 /nfs/dbraw/zinc/10/84/45/827108445.db2.gz PZOVESSFANAION-IHRRRGAJSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)C[C@@H]2C1 ZINC001120434960 827220009 /nfs/dbraw/zinc/22/00/09/827220009.db2.gz VBUNUSQXTGNMDQ-LXTVHRRPSA-N 1 3 338.452 -0.720 20 0 EBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)C2(O)CCN(C)CC2)CC1 ZINC001182036868 833196391 /nfs/dbraw/zinc/19/63/91/833196391.db2.gz KWVDOPZMSRAXBH-UHFFFAOYSA-N 1 3 327.425 -0.284 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121952744 827490629 /nfs/dbraw/zinc/49/06/29/827490629.db2.gz LWQOESIEAMJGKG-XJKSGUPXSA-N 1 3 327.425 -0.509 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182473331 833235607 /nfs/dbraw/zinc/23/56/07/833235607.db2.gz PPXWIBILENUNEX-NEPJUHHUSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182473331 833235611 /nfs/dbraw/zinc/23/56/11/833235611.db2.gz PPXWIBILENUNEX-NEPJUHHUSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182473334 833236117 /nfs/dbraw/zinc/23/61/17/833236117.db2.gz PPXWIBILENUNEX-VXGBXAGGSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182473334 833236122 /nfs/dbraw/zinc/23/61/22/833236122.db2.gz PPXWIBILENUNEX-VXGBXAGGSA-N 1 3 325.413 -0.755 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182676961 833252233 /nfs/dbraw/zinc/25/22/33/833252233.db2.gz UCWUGRRTFJRIQI-MGPQQGTHSA-N 1 3 346.497 -0.592 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001182676961 833252237 /nfs/dbraw/zinc/25/22/37/833252237.db2.gz UCWUGRRTFJRIQI-MGPQQGTHSA-N 1 3 346.497 -0.592 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866561 827969169 /nfs/dbraw/zinc/96/91/69/827969169.db2.gz FVAFYUHQDNMBFY-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183039433 833277762 /nfs/dbraw/zinc/27/77/62/833277762.db2.gz KBKRHJNGGAENBL-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183039433 833277763 /nfs/dbraw/zinc/27/77/63/833277763.db2.gz KBKRHJNGGAENBL-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001183228306 833284187 /nfs/dbraw/zinc/28/41/87/833284187.db2.gz GDGUJLNPNGIMGM-MLGOLLRUSA-N 1 3 341.456 -0.403 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266905 833285208 /nfs/dbraw/zinc/28/52/08/833285208.db2.gz HQXGEJINHAGEIG-ZBFHGGJFSA-N 1 3 340.468 -0.330 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183392597 833289126 /nfs/dbraw/zinc/28/91/26/833289126.db2.gz YRSVFELDZFXJCH-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183392597 833289128 /nfs/dbraw/zinc/28/91/28/833289128.db2.gz YRSVFELDZFXJCH-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183435920 833290629 /nfs/dbraw/zinc/29/06/29/833290629.db2.gz HYNCCEDOJWCGKY-OAGGEKHMSA-N 1 3 345.484 -0.213 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1)N(C)C ZINC001183582431 833296058 /nfs/dbraw/zinc/29/60/58/833296058.db2.gz ZGHOCLIGQLPAOY-RBSFLKMASA-N 1 3 331.457 -0.459 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256111 828269458 /nfs/dbraw/zinc/26/94/58/828269458.db2.gz MJRLMJQLUFDTNP-UONOGXRCSA-N 1 3 346.497 -0.494 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256111 828269463 /nfs/dbraw/zinc/26/94/63/828269463.db2.gz MJRLMJQLUFDTNP-UONOGXRCSA-N 1 3 346.497 -0.494 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)S(C)(=O)=O ZINC001127257466 828270005 /nfs/dbraw/zinc/27/00/05/828270005.db2.gz YLBLPEUMVZZSRK-ZIAGYGMSSA-N 1 3 346.497 -0.542 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)S(C)(=O)=O ZINC001127257466 828270009 /nfs/dbraw/zinc/27/00/09/828270009.db2.gz YLBLPEUMVZZSRK-ZIAGYGMSSA-N 1 3 346.497 -0.542 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CCOCC1 ZINC001127474702 828296728 /nfs/dbraw/zinc/29/67/28/828296728.db2.gz NYYOHXPTPWUYHC-HNNXBMFYSA-N 1 3 338.452 -0.671 20 0 EBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571190 828303378 /nfs/dbraw/zinc/30/33/78/828303378.db2.gz NEQWXADGCLXLDQ-ZBFHGGJFSA-N 1 3 340.468 -0.425 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659830 828313356 /nfs/dbraw/zinc/31/33/56/828313356.db2.gz MUFKWBJORPERBQ-MGPQQGTHSA-N 1 3 328.457 -0.426 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659830 828313364 /nfs/dbraw/zinc/31/33/64/828313364.db2.gz MUFKWBJORPERBQ-MGPQQGTHSA-N 1 3 328.457 -0.426 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777703 828326115 /nfs/dbraw/zinc/32/61/15/828326115.db2.gz BGIZSRIQZJSPPX-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777703 828326124 /nfs/dbraw/zinc/32/61/24/828326124.db2.gz BGIZSRIQZJSPPX-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786227 828332001 /nfs/dbraw/zinc/33/20/01/828332001.db2.gz WTEKPPRTXIEMIU-KGLIPLIRSA-N 1 3 326.441 -0.672 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786227 828332014 /nfs/dbraw/zinc/33/20/14/828332014.db2.gz WTEKPPRTXIEMIU-KGLIPLIRSA-N 1 3 326.441 -0.672 20 0 EBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184432884 833330098 /nfs/dbraw/zinc/33/00/98/833330098.db2.gz ANNYWWHKEQCUQL-CLPSQLOGSA-N 1 3 339.436 -0.953 20 0 EBADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001130618205 828902635 /nfs/dbraw/zinc/90/26/35/828902635.db2.gz WJOOVKRFZMCBNV-UHFFFAOYSA-N 1 3 327.429 -0.460 20 0 EBADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001130618205 828902631 /nfs/dbraw/zinc/90/26/31/828902631.db2.gz WJOOVKRFZMCBNV-UHFFFAOYSA-N 1 3 327.429 -0.460 20 0 EBADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCCNS(C)(=O)=O ZINC001130622411 828902648 /nfs/dbraw/zinc/90/26/48/828902648.db2.gz HLVAMQZDVARLKF-UHFFFAOYSA-N 1 3 348.513 -0.106 20 0 EBADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCCNS(C)(=O)=O ZINC001130622411 828902651 /nfs/dbraw/zinc/90/26/51/828902651.db2.gz HLVAMQZDVARLKF-UHFFFAOYSA-N 1 3 348.513 -0.106 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001184806950 833340591 /nfs/dbraw/zinc/34/05/91/833340591.db2.gz MIMAKQAVJTZHKB-NWDGAFQWSA-N 1 3 339.440 -0.365 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001184876540 833342455 /nfs/dbraw/zinc/34/24/55/833342455.db2.gz JOOXVOIDOZJOMG-RBSFLKMASA-N 1 3 338.452 -0.576 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001185249517 833351448 /nfs/dbraw/zinc/35/14/48/833351448.db2.gz ZDLKWKXMRIPCDX-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401872 833357899 /nfs/dbraw/zinc/35/78/99/833357899.db2.gz XNPKYXKMYUMMKG-CHWSQXEVSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185650058 833364989 /nfs/dbraw/zinc/36/49/89/833364989.db2.gz BFIUMVGGZMHMRA-GOEBONIOSA-N 1 3 340.468 -0.186 20 0 EBADHO Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)cc1=O ZINC001131519614 829150923 /nfs/dbraw/zinc/15/09/23/829150923.db2.gz HOPYIRGWYPVNLY-SWKXRBFHSA-N 1 3 346.431 -0.546 20 0 EBADHO O=C(NCC[NH2+]C[C@@H]1CCc2ncnn21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521789 829154257 /nfs/dbraw/zinc/15/42/57/829154257.db2.gz HSICVQGQSAULBL-YRTQGLMCSA-N 1 3 346.435 -0.666 20 0 EBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CCN(CCOCCO)C2)O1 ZINC001131682359 829184883 /nfs/dbraw/zinc/18/48/83/829184883.db2.gz NOCTWYLVYKFBGT-RDJZCZTQSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185919627 833377423 /nfs/dbraw/zinc/37/74/23/833377423.db2.gz XLNPAUIJVIVNTJ-OCCSQVGLSA-N 1 3 326.397 -0.833 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790814 829217712 /nfs/dbraw/zinc/21/77/12/829217712.db2.gz WHNNBQWNZSYDFQ-YPMHNXCESA-N 1 3 339.440 -0.589 20 0 EBADHO CC(C)(C(=O)NCCNCC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001132284059 829405717 /nfs/dbraw/zinc/40/57/17/829405717.db2.gz UIBAWJCHPAZZKV-UHFFFAOYSA-N 1 3 326.441 -0.575 20 0 EBADHO COc1nccc(C[NH2+]CCNC(=O)[C@H]2CN(C(C)C)CCO2)n1 ZINC001132859115 829539818 /nfs/dbraw/zinc/53/98/18/829539818.db2.gz WMDILEQMOBCVEU-CQSZACIVSA-N 1 3 337.424 -0.200 20 0 EBADHO COc1nccc(CNCCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC001132859115 829539820 /nfs/dbraw/zinc/53/98/20/829539820.db2.gz WMDILEQMOBCVEU-CQSZACIVSA-N 1 3 337.424 -0.200 20 0 EBADHO COc1nccc(CNCCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001132859115 829539824 /nfs/dbraw/zinc/53/98/24/829539824.db2.gz WMDILEQMOBCVEU-CQSZACIVSA-N 1 3 337.424 -0.200 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051856 829578781 /nfs/dbraw/zinc/57/87/81/829578781.db2.gz RVIFNWSVRYJVGF-GFCCVEGCSA-N 1 3 329.445 -0.343 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001133285903 829615067 /nfs/dbraw/zinc/61/50/67/829615067.db2.gz NSFLSPRFWIXZGU-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCCN2CCCS2(=O)=O)CC1 ZINC001133287929 829615723 /nfs/dbraw/zinc/61/57/23/829615723.db2.gz PXZBGNISBREXPO-UHFFFAOYSA-N 1 3 332.470 -0.931 20 0 EBADHO CNS(=O)(=O)c1ccc(CNCCNC(=O)CC[NH+](C)C)cc1 ZINC001133288221 829615941 /nfs/dbraw/zinc/61/59/41/829615941.db2.gz SFWQCBWEKDQQFA-UHFFFAOYSA-N 1 3 342.465 -0.248 20 0 EBADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001133286149 829616216 /nfs/dbraw/zinc/61/62/16/829616216.db2.gz ZOPIAFIOMVYJPD-HIFRSBDPSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001133819977 829679407 /nfs/dbraw/zinc/67/94/07/829679407.db2.gz UIBUZOZJIIGUCO-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001133819977 829679410 /nfs/dbraw/zinc/67/94/10/829679410.db2.gz UIBUZOZJIIGUCO-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001133845524 829685290 /nfs/dbraw/zinc/68/52/90/829685290.db2.gz IAKOBJAKCREVQX-UONOGXRCSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001133851021 829687011 /nfs/dbraw/zinc/68/70/11/829687011.db2.gz UZMPJKIDWZKYNY-GJZGRUSLSA-N 1 3 343.468 -0.410 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001133849717 829687529 /nfs/dbraw/zinc/68/75/29/829687529.db2.gz CKNHQYMOCDCUKJ-ZIAGYGMSSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001133849717 829687533 /nfs/dbraw/zinc/68/75/33/829687533.db2.gz CKNHQYMOCDCUKJ-ZIAGYGMSSA-N 1 3 326.441 -0.813 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC(C)(C)C ZINC001133906213 829696573 /nfs/dbraw/zinc/69/65/73/829696573.db2.gz QKSHNSSQMCZCMD-UHFFFAOYSA-N 1 3 336.502 -0.439 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1=O ZINC001134021231 829714304 /nfs/dbraw/zinc/71/43/04/829714304.db2.gz VNTZHQOBQIATIC-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CCNS(C)(=O)=O ZINC001134606946 829802123 /nfs/dbraw/zinc/80/21/23/829802123.db2.gz BPCZJNLJXTVUKE-OLZOCXBDSA-N 1 3 348.513 -0.107 20 0 EBADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001134613263 829804493 /nfs/dbraw/zinc/80/44/93/829804493.db2.gz UKERFGMNYLFBLM-GHMZBOCLSA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001134762965 829840793 /nfs/dbraw/zinc/84/07/93/829840793.db2.gz IXYUAJVOXCWGFC-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001134762965 829840807 /nfs/dbraw/zinc/84/08/07/829840807.db2.gz IXYUAJVOXCWGFC-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134766705 829841944 /nfs/dbraw/zinc/84/19/44/829841944.db2.gz LKBOLEIGAUHRLW-HOTGVXAUSA-N 1 3 345.484 -0.021 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC2CCOCC2)CC1 ZINC001134775946 829843782 /nfs/dbraw/zinc/84/37/82/829843782.db2.gz DWNVKIMAMLBCGH-UHFFFAOYSA-N 1 3 340.468 -0.281 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)N2CCOCC2)CC1 ZINC001134780778 829845497 /nfs/dbraw/zinc/84/54/97/829845497.db2.gz WFHICQIHSHEUQJ-UHFFFAOYSA-N 1 3 326.441 -0.717 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103036 829898098 /nfs/dbraw/zinc/89/80/98/829898098.db2.gz SOADOFCQOCYIHF-KGLIPLIRSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103036 829898106 /nfs/dbraw/zinc/89/81/06/829898106.db2.gz SOADOFCQOCYIHF-KGLIPLIRSA-N 1 3 346.497 -0.352 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103228 829898284 /nfs/dbraw/zinc/89/82/84/829898284.db2.gz YBDUEGXDDHHFEU-STQMWFEESA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103228 829898290 /nfs/dbraw/zinc/89/82/90/829898290.db2.gz YBDUEGXDDHHFEU-STQMWFEESA-N 1 3 332.470 -0.742 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001135513770 829980188 /nfs/dbraw/zinc/98/01/88/829980188.db2.gz YDTBRIKLSJXPLH-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599613 830211682 /nfs/dbraw/zinc/21/16/82/830211682.db2.gz CIWGLYIHEAXJKM-QWHCGFSZSA-N 1 3 336.502 -0.251 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001146710289 830221125 /nfs/dbraw/zinc/22/11/25/830221125.db2.gz JTPGHPKJSGNJQD-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001146710289 830221137 /nfs/dbraw/zinc/22/11/37/830221137.db2.gz JTPGHPKJSGNJQD-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001146712037 830223168 /nfs/dbraw/zinc/22/31/68/830223168.db2.gz ZZGKWDGPGPVLCJ-LBPRGKRZSA-N 1 3 329.445 -0.343 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001146712037 830223174 /nfs/dbraw/zinc/22/31/74/830223174.db2.gz ZZGKWDGPGPVLCJ-LBPRGKRZSA-N 1 3 329.445 -0.343 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)S(C)(=O)=O ZINC001147825105 830416568 /nfs/dbraw/zinc/41/65/68/830416568.db2.gz OKISNIZQAXEKTQ-KBPBESRZSA-N 1 3 348.513 -0.296 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824687 830416844 /nfs/dbraw/zinc/41/68/44/830416844.db2.gz MACPYJBYBYIRHC-VXGBXAGGSA-N 1 3 327.429 -0.732 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001147886352 830426514 /nfs/dbraw/zinc/42/65/14/830426514.db2.gz VFTOJGHLTYQHAO-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900627 830428850 /nfs/dbraw/zinc/42/88/50/830428850.db2.gz SWJOHNRIZWXKKR-NWDGAFQWSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900627 830428856 /nfs/dbraw/zinc/42/88/56/830428856.db2.gz SWJOHNRIZWXKKR-NWDGAFQWSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)C[C@H](C)O1 ZINC001147995062 830435022 /nfs/dbraw/zinc/43/50/22/830435022.db2.gz XMFUMCXIEBNLFZ-OKILXGFUSA-N 1 3 338.452 -0.576 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999686 830436500 /nfs/dbraw/zinc/43/65/00/830436500.db2.gz CLHCKXUIEKNEAU-GFCCVEGCSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(=O)NC1CC1 ZINC001148000691 830436718 /nfs/dbraw/zinc/43/67/18/830436718.db2.gz UXDMDFVBONYEFX-NSHDSACASA-N 1 3 337.424 -0.835 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148352134 830474080 /nfs/dbraw/zinc/47/40/80/830474080.db2.gz BKFXXLUWZYAFMB-LBPRGKRZSA-N 1 3 329.445 -0.342 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001148642700 830522587 /nfs/dbraw/zinc/52/25/87/830522587.db2.gz LPPUSIJMYPTXFR-LLVKDONJSA-N 1 3 329.363 -0.026 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001148654870 830524154 /nfs/dbraw/zinc/52/41/54/830524154.db2.gz CQQNKTRBZHFANK-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001148656089 830525364 /nfs/dbraw/zinc/52/53/64/830525364.db2.gz UXTPPXPABRFLTI-UHFFFAOYSA-N 1 3 341.456 -0.246 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001149122850 830593762 /nfs/dbraw/zinc/59/37/62/830593762.db2.gz COYCMXBKVLKWTC-GFCCVEGCSA-N 1 3 328.438 -0.209 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001149937498 830786130 /nfs/dbraw/zinc/78/61/30/830786130.db2.gz TXEIZEGMQCEXLK-CABCVRRESA-N 1 3 345.484 -0.069 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001149937498 830786136 /nfs/dbraw/zinc/78/61/36/830786136.db2.gz TXEIZEGMQCEXLK-CABCVRRESA-N 1 3 345.484 -0.069 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@@H]2CN(CCCO)CCCO2)CC1 ZINC001150508518 830919231 /nfs/dbraw/zinc/91/92/31/830919231.db2.gz VGCPOINQFMJJOC-MRXNPFEDSA-N 1 3 343.468 -0.313 20 0 EBADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150625061 830948080 /nfs/dbraw/zinc/94/80/80/830948080.db2.gz IEEZYEVIBHEUME-HZPDHXFCSA-N 1 3 345.484 -0.067 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150625061 830948082 /nfs/dbraw/zinc/94/80/82/830948082.db2.gz IEEZYEVIBHEUME-HZPDHXFCSA-N 1 3 345.484 -0.067 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCCOc2ccccc2)C1 ZINC001151066313 831020167 /nfs/dbraw/zinc/02/01/67/831020167.db2.gz SIYYYAORBACPPK-HNNXBMFYSA-N 1 3 348.447 -0.161 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCCOc2ccccc2)C1 ZINC001151066313 831020174 /nfs/dbraw/zinc/02/01/74/831020174.db2.gz SIYYYAORBACPPK-HNNXBMFYSA-N 1 3 348.447 -0.161 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066329 831021071 /nfs/dbraw/zinc/02/10/71/831021071.db2.gz SSHUFQBRGLWWDK-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066329 831021080 /nfs/dbraw/zinc/02/10/80/831021080.db2.gz SSHUFQBRGLWWDK-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC1CCOCC1 ZINC001152340695 831153877 /nfs/dbraw/zinc/15/38/77/831153877.db2.gz UPJPFAOOXIVACV-UHFFFAOYSA-N 1 3 340.468 -0.137 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152444903 831163381 /nfs/dbraw/zinc/16/33/81/831163381.db2.gz BFOVIPUCUHUGPI-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001152458161 831165520 /nfs/dbraw/zinc/16/55/20/831165520.db2.gz LTGPPKDTZWJNFJ-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909042 831372293 /nfs/dbraw/zinc/37/22/93/831372293.db2.gz JHCVKOAKUASEBA-CYBMUJFWSA-N 1 3 341.456 -0.293 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001155791055 831429726 /nfs/dbraw/zinc/42/97/26/831429726.db2.gz RMLHFFOFPZUVSU-CQSZACIVSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCN1C)C(=O)Nc1ncccn1 ZINC001155791271 831430338 /nfs/dbraw/zinc/43/03/38/831430338.db2.gz UXUXCOQCEIJGPB-STQMWFEESA-N 1 3 334.424 -0.006 20 0 EBADHO Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3CCCN3C)C2=O)cn1 ZINC001155813555 831432230 /nfs/dbraw/zinc/43/22/30/831432230.db2.gz SDKXHADAXUCSJW-CABCVRRESA-N 1 3 348.451 -0.285 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001157324546 831554979 /nfs/dbraw/zinc/55/49/79/831554979.db2.gz ZWUAAKYTJZFKMR-XEZPLFJOSA-N 1 3 326.441 -0.495 20 0 EBADHO [NH3+]CCCC[C@H](NC(=O)[C@H]1CCC2(CNC2)O1)C(=O)N1CCCC1 ZINC001157370418 831561142 /nfs/dbraw/zinc/56/11/42/831561142.db2.gz AOXJSOFEGXWDGX-UONOGXRCSA-N 1 3 338.452 -0.256 20 0 EBADHO CN1CCC(O)(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001157370678 831561337 /nfs/dbraw/zinc/56/13/37/831561337.db2.gz FSERNPWLAWKRKG-AWEZNQCLSA-N 1 3 340.468 -0.321 20 0 EBADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157413788 831564245 /nfs/dbraw/zinc/56/42/45/831564245.db2.gz OZCROPRNDGQMTK-HNNXBMFYSA-N 1 3 331.420 -0.199 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715646 831587178 /nfs/dbraw/zinc/58/71/78/831587178.db2.gz HSMKYFXRUXJZDV-UONOGXRCSA-N 1 3 333.436 -0.419 20 0 EBADHO [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001157740969 831589495 /nfs/dbraw/zinc/58/94/95/831589495.db2.gz RLBPZRYHMVWSNP-DGCLKSJQSA-N 1 3 333.429 -0.557 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]cnc2C1 ZINC001157922118 831608681 /nfs/dbraw/zinc/60/86/81/831608681.db2.gz FBHMSZHISITKRQ-WFASDCNBSA-N 1 3 348.451 -0.258 20 0 EBADHO O=C(c1csc([C@H]2CCCN2)n1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102519 831628032 /nfs/dbraw/zinc/62/80/32/831628032.db2.gz SYPZXRLZRIFCEH-MEBBXXQBSA-N 1 3 335.433 -0.128 20 0 EBADHO NC1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)Cc2ccccc2C1 ZINC001158121357 831631228 /nfs/dbraw/zinc/63/12/28/831631228.db2.gz RVPFTDGCLXFVNJ-GOSISDBHSA-N 1 3 340.427 -0.579 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158180350 831636886 /nfs/dbraw/zinc/63/68/86/831636886.db2.gz YNAKICHHZXHYCR-RDBSUJKOSA-N 1 3 326.400 -0.010 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158486661 831659806 /nfs/dbraw/zinc/65/98/06/831659806.db2.gz QLLDWMVESXXLDT-CABCVRRESA-N 1 3 349.435 -0.056 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158486661 831659809 /nfs/dbraw/zinc/65/98/09/831659809.db2.gz QLLDWMVESXXLDT-CABCVRRESA-N 1 3 349.435 -0.056 20 0 EBADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001159132603 831711347 /nfs/dbraw/zinc/71/13/47/831711347.db2.gz BPKIABKESYITSP-GXTWGEPZSA-N 1 3 331.424 -0.304 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](F)CN(CC)CC ZINC001159155849 831712889 /nfs/dbraw/zinc/71/28/89/831712889.db2.gz UVNQQQLTNNRPGV-AWEZNQCLSA-N 1 3 348.463 -0.085 20 0 EBADHO CCN1C[C@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403139 831749793 /nfs/dbraw/zinc/74/97/93/831749793.db2.gz HAXHMUGIRKTHEY-HZSPNIEDSA-N 1 3 346.497 -0.285 20 0 EBADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CN)CCC2 ZINC001159481194 831756168 /nfs/dbraw/zinc/75/61/68/831756168.db2.gz JEIBEEATQVHAKZ-ZDUSSCGKSA-N 1 3 336.440 -0.898 20 0 EBADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CN)CCC2 ZINC001159481194 831756175 /nfs/dbraw/zinc/75/61/75/831756175.db2.gz JEIBEEATQVHAKZ-ZDUSSCGKSA-N 1 3 336.440 -0.898 20 0 EBADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C3)n1 ZINC001159472030 831756184 /nfs/dbraw/zinc/75/61/84/831756184.db2.gz NGJRWZYLUBOSEQ-UHIISALHSA-N 1 3 341.437 -0.876 20 0 EBADHO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]32)C1=O ZINC001159687930 831773289 /nfs/dbraw/zinc/77/32/89/831773289.db2.gz LTMVIWIZHDOMBS-XJIUQZFPSA-N 1 3 335.452 -0.060 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001159925051 831798743 /nfs/dbraw/zinc/79/87/43/831798743.db2.gz NUCVXHHXBUMMEH-HOCLYGCPSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)CCO1 ZINC001159931815 831798980 /nfs/dbraw/zinc/79/89/80/831798980.db2.gz JIBWKSBNRWWAMG-BBRMVZONSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932460 831799384 /nfs/dbraw/zinc/79/93/84/831799384.db2.gz RSFGBLKCZXLPFT-ZYHUDNBSSA-N 1 3 327.429 -0.733 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931497 831799622 /nfs/dbraw/zinc/79/96/22/831799622.db2.gz DZVLNXDSRUZTNR-DZGCQCFKSA-N 1 3 342.484 -0.036 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001160003490 831804393 /nfs/dbraw/zinc/80/43/93/831804393.db2.gz QKYAOGLGAJXLIX-CQSZACIVSA-N 1 3 340.468 -0.281 20 0 EBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H](N)C3CC[NH2+]CC3)[C@H]2C1 ZINC001159998809 831804547 /nfs/dbraw/zinc/80/45/47/831804547.db2.gz MEHMNOKRADAVGR-HZSPNIEDSA-N 1 3 344.481 -0.804 20 0 EBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CCC2 ZINC001160324432 831838342 /nfs/dbraw/zinc/83/83/42/831838342.db2.gz VKASFIOWNVJNMW-MRXNPFEDSA-N 1 3 348.451 -0.422 20 0 EBADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)CC1 ZINC001160456312 831853117 /nfs/dbraw/zinc/85/31/17/831853117.db2.gz HEKMQONEZRVVFB-AWEZNQCLSA-N 1 3 348.451 -0.228 20 0 EBADHO CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001160484727 831855512 /nfs/dbraw/zinc/85/55/12/831855512.db2.gz AQJRRSAWXBHJCO-HNNXBMFYSA-N 1 3 341.500 -0.286 20 0 EBADHO O=C([C@H]1NCC[C@@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589468 831867244 /nfs/dbraw/zinc/86/72/44/831867244.db2.gz UZLCPQYKEFMWET-KBPBESRZSA-N 1 3 330.388 -0.435 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160634793 831872344 /nfs/dbraw/zinc/87/23/44/831872344.db2.gz DTBMMSQKVCSJJF-HNNXBMFYSA-N 1 3 339.484 -0.533 20 0 EBADHO CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1(C)COC1 ZINC001160666963 831877847 /nfs/dbraw/zinc/87/78/47/831877847.db2.gz AEVONFFUOGUEIC-STQMWFEESA-N 1 3 326.441 -0.319 20 0 EBADHO O=C([C@H]1COC2(CNC2)CN1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698882 831878705 /nfs/dbraw/zinc/87/87/05/831878705.db2.gz UFFVMZXABIRMPO-OAHLLOKOSA-N 1 3 342.443 -0.015 20 0 EBADHO COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160718369 831879451 /nfs/dbraw/zinc/87/94/51/831879451.db2.gz HCZUESHKRZBTOU-AVGNSLFASA-N 1 3 342.440 -0.546 20 0 EBADHO O=C(N1CCC2(CC1)CC(=O)NC(=O)C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160715395 831879515 /nfs/dbraw/zinc/87/95/15/831879515.db2.gz BZVDIMDMQPAFCB-SJKOYZFVSA-N 1 3 334.420 -0.769 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771693 831884654 /nfs/dbraw/zinc/88/46/54/831884654.db2.gz DJUPDXCLNIDLFM-AWEZNQCLSA-N 1 3 340.468 -0.010 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]3CNCCO3)C[C@H]1C2 ZINC001160793671 831887527 /nfs/dbraw/zinc/88/75/27/831887527.db2.gz DWIBDALOTZMLLI-KAHPBISDSA-N 1 3 337.420 -0.778 20 0 EBADHO O=C(c1ccncc1)N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160936049 831908439 /nfs/dbraw/zinc/90/84/39/831908439.db2.gz FXBFUXCMAPRPPI-CQSZACIVSA-N 1 3 329.404 -0.825 20 0 EBADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161137735 831930159 /nfs/dbraw/zinc/93/01/59/831930159.db2.gz GLZSIAKKJAFGCO-SUMWQHHRSA-N 1 3 338.452 -0.447 20 0 EBADHO COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161137732 831930400 /nfs/dbraw/zinc/93/04/00/831930400.db2.gz GLZSIAKKJAFGCO-DYVFJYSZSA-N 1 3 338.452 -0.447 20 0 EBADHO CO[C@@H](CN)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198754 831937558 /nfs/dbraw/zinc/93/75/58/831937558.db2.gz WXJAJFFBNFTCPX-INIZCTEOSA-N 1 3 342.484 -0.489 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001161226573 831938781 /nfs/dbraw/zinc/93/87/81/831938781.db2.gz JIBKQHGEWWFXTO-AWEZNQCLSA-N 1 3 342.484 -0.204 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001161251550 831941547 /nfs/dbraw/zinc/94/15/47/831941547.db2.gz SLBRDJBTIVGKJY-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1[nH]nc3c1CNCC3)CC2 ZINC001161483984 831965129 /nfs/dbraw/zinc/96/51/29/831965129.db2.gz REQNPJNQGYDIRC-WBMJQRKESA-N 1 3 333.392 -0.577 20 0 EBADHO Cn1nccc1C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872248 832068785 /nfs/dbraw/zinc/06/87/85/832068785.db2.gz LSDYQZQHMTXJMB-GNHJJJEISA-N 1 3 333.436 -0.121 20 0 EBADHO Cn1nccc1CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872084 832069171 /nfs/dbraw/zinc/06/91/71/832069171.db2.gz GHTRJLWPUOIZLU-HQVVEAJESA-N 1 3 347.463 -0.078 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]1(C)CO ZINC001350199484 832130287 /nfs/dbraw/zinc/13/02/87/832130287.db2.gz FPVPDTUALXGDNL-WMLDXEAASA-N 1 3 342.484 -0.585 20 0 EBADHO CN(C(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001350657121 832182611 /nfs/dbraw/zinc/18/26/11/832182611.db2.gz BFHHSDXJCVPNQB-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001350657122 832182902 /nfs/dbraw/zinc/18/29/02/832182902.db2.gz BFHHSDXJCVPNQB-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001165717929 832234523 /nfs/dbraw/zinc/23/45/23/832234523.db2.gz AESFERJVZBJQSP-CYBMUJFWSA-N 1 3 348.513 -0.248 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004052 832246106 /nfs/dbraw/zinc/24/61/06/832246106.db2.gz DGCVOSQLDHNQGL-OAHLLOKOSA-N 1 3 330.473 -0.179 20 0 EBADHO NCc1cn([C@@H]2CCCN(C(=O)NCCOCCC[NH3+])C2)nn1 ZINC001351544875 832248931 /nfs/dbraw/zinc/24/89/31/832248931.db2.gz IXPHBHMUGKHRLH-CYBMUJFWSA-N 1 3 325.417 -0.551 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001166676770 832279190 /nfs/dbraw/zinc/27/91/90/832279190.db2.gz CEVOYKHVHUHVFK-GJZGRUSLSA-N 1 3 340.468 -0.423 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001166858421 832294483 /nfs/dbraw/zinc/29/44/83/832294483.db2.gz UMIGATJVULKJAP-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001166858752 832294658 /nfs/dbraw/zinc/29/46/58/832294658.db2.gz ZXQQOYAKSWGLKF-LBPRGKRZSA-N 1 3 327.429 -0.589 20 0 EBADHO CS(=O)(=O)N(c1cccc(N2CCC([NH3+])CC2)n1)C1CNC1 ZINC001166970451 832304851 /nfs/dbraw/zinc/30/48/51/832304851.db2.gz NCYUEMCLZLVLAT-UHFFFAOYSA-N 1 3 325.438 -0.253 20 0 EBADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001167480844 832344882 /nfs/dbraw/zinc/34/48/82/832344882.db2.gz TVDAVOXPDVXBRK-GFCCVEGCSA-N 1 3 341.456 -0.212 20 0 EBADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001167480704 832345033 /nfs/dbraw/zinc/34/50/33/832345033.db2.gz RNPFVAFUOBSRRI-UHFFFAOYSA-N 1 3 348.513 -0.247 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001167636682 832361444 /nfs/dbraw/zinc/36/14/44/832361444.db2.gz XZLLUSLLYKTJGO-OLZOCXBDSA-N 1 3 341.456 -0.071 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001168763570 832433956 /nfs/dbraw/zinc/43/39/56/832433956.db2.gz POPKIBDLLKXSCG-HOTGVXAUSA-N 1 3 345.484 -0.019 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001171763235 832575033 /nfs/dbraw/zinc/57/50/33/832575033.db2.gz WCYNUNVKVTYZRQ-AWEZNQCLSA-N 1 3 328.457 -0.593 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001174682722 832593702 /nfs/dbraw/zinc/59/37/02/832593702.db2.gz LHCCGTBTIHSUQN-LBPRGKRZSA-N 1 3 328.438 -0.209 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174692833 832593863 /nfs/dbraw/zinc/59/38/63/832593863.db2.gz XIZJUFHEFOXLTK-UHFFFAOYSA-N 1 3 325.413 -0.491 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001176161032 832660270 /nfs/dbraw/zinc/66/02/70/832660270.db2.gz MAXACIURVORTHN-CHWSQXEVSA-N 1 3 339.444 -0.665 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176285689 832663680 /nfs/dbraw/zinc/66/36/80/832663680.db2.gz OVHUCWAMMBZFTE-LBPRGKRZSA-N 1 3 329.445 -0.212 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001176986807 832725940 /nfs/dbraw/zinc/72/59/40/832725940.db2.gz WKBRKRLBPLVGPZ-CQSZACIVSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178360149 832853177 /nfs/dbraw/zinc/85/31/77/832853177.db2.gz MQEKQYZOVSSSIP-CWRNSKLLSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)N(C)C ZINC001178985533 832938265 /nfs/dbraw/zinc/93/82/65/832938265.db2.gz NHZFKVAOZISFCN-RWMBFGLXSA-N 1 3 334.486 -0.545 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C)N(C)C ZINC001179554249 832988097 /nfs/dbraw/zinc/98/80/97/832988097.db2.gz XCVMTHCGDGIKBR-VOAKCMCISA-N 1 3 341.456 -0.250 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C)N(C)C ZINC001179553876 832988451 /nfs/dbraw/zinc/98/84/51/832988451.db2.gz CQJYXVRBNVWXNP-IHRRRGAJSA-N 1 3 348.513 -0.155 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001187107269 833900776 /nfs/dbraw/zinc/90/07/76/833900776.db2.gz ZRJQQQQFSHHAAL-GXTWGEPZSA-N 1 3 326.441 -0.578 20 0 EBADHO CC(C)[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115795 833902894 /nfs/dbraw/zinc/90/28/94/833902894.db2.gz UDFBYYKKRFKNFH-LSDHHAIUSA-N 1 3 342.484 -0.084 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccnc3)C2)C1 ZINC001187817185 833969930 /nfs/dbraw/zinc/96/99/30/833969930.db2.gz BCAWOYPHZBNGQH-HZPDHXFCSA-N 1 3 345.447 -0.160 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccnc3)C2)C1 ZINC001187817185 833969938 /nfs/dbraw/zinc/96/99/38/833969938.db2.gz BCAWOYPHZBNGQH-HZPDHXFCSA-N 1 3 345.447 -0.160 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188140044 834013693 /nfs/dbraw/zinc/01/36/93/834013693.db2.gz WUROFGDILTUHNB-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001188158743 834016968 /nfs/dbraw/zinc/01/69/68/834016968.db2.gz WUIZPWLWMUSYST-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001188963754 834110943 /nfs/dbraw/zinc/11/09/43/834110943.db2.gz QQUSPWRVZBTZNY-LSDHHAIUSA-N 1 3 325.453 -0.130 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001188978949 834113401 /nfs/dbraw/zinc/11/34/01/834113401.db2.gz HMEVZYDPWJRFAP-MELADBBJSA-N 1 3 336.436 -0.334 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189787618 834191915 /nfs/dbraw/zinc/19/19/15/834191915.db2.gz RMVKCLVWIWVYDU-OWCLPIDISA-N 1 3 325.453 -0.130 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189787618 834191919 /nfs/dbraw/zinc/19/19/19/834191919.db2.gz RMVKCLVWIWVYDU-OWCLPIDISA-N 1 3 325.453 -0.130 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192020108 834594510 /nfs/dbraw/zinc/59/45/10/834594510.db2.gz ZGZQQWPQIKXYON-AWEZNQCLSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(C[C@H](O)CN1CCCC1=O)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170103 834621328 /nfs/dbraw/zinc/62/13/28/834621328.db2.gz HIVKBDJGSDHNCY-CABCVRRESA-N 1 3 340.468 -0.546 20 0 EBADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489680 834890388 /nfs/dbraw/zinc/89/03/88/834890388.db2.gz ZNWFHNPRDXNTKT-OAHLLOKOSA-N 1 3 340.468 -0.280 20 0 EBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832453 835155336 /nfs/dbraw/zinc/15/53/36/835155336.db2.gz OWWNWZQZTGVECH-VXSWHIBVSA-N 1 3 339.436 -0.953 20 0 EBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832453 835155339 /nfs/dbraw/zinc/15/53/39/835155339.db2.gz OWWNWZQZTGVECH-VXSWHIBVSA-N 1 3 339.436 -0.953 20 0 EBADHO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787651 835861451 /nfs/dbraw/zinc/86/14/51/835861451.db2.gz CEKDSOXUXTXZRK-CVEARBPZSA-N 1 3 343.468 -0.315 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688211 836014372 /nfs/dbraw/zinc/01/43/72/836014372.db2.gz LUTBGTCCSICDMG-UKRRQHHQSA-N 1 3 326.441 -0.720 20 0 EBADHO CC[C@H]([NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687707 836016243 /nfs/dbraw/zinc/01/62/43/836016243.db2.gz GCPNHOSLHIVBJN-KBPBESRZSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001200851158 836047381 /nfs/dbraw/zinc/04/73/81/836047381.db2.gz MKTRRTSATWOYFY-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001200851158 836047389 /nfs/dbraw/zinc/04/73/89/836047389.db2.gz MKTRRTSATWOYFY-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)C1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCC1 ZINC001201037565 836083745 /nfs/dbraw/zinc/08/37/45/836083745.db2.gz MNFUDKKILXYVPP-UHFFFAOYSA-N 1 3 325.413 -0.754 20 0 EBADHO CC(C)(C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001201130054 836100503 /nfs/dbraw/zinc/10/05/03/836100503.db2.gz UYEUIDRAGVTCLL-CYBMUJFWSA-N 1 3 326.441 -0.447 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001201150115 836103207 /nfs/dbraw/zinc/10/32/07/836103207.db2.gz XFDMJPVWKLEGMH-YPMHNXCESA-N 1 3 341.456 -0.263 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)COCCOC)CC1)N(C)C ZINC001201239317 836115655 /nfs/dbraw/zinc/11/56/55/836115655.db2.gz JALFGVUSDMGFPU-HZPDHXFCSA-N 1 3 345.484 -0.069 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262607 836120253 /nfs/dbraw/zinc/12/02/53/836120253.db2.gz VDNNQRCVMLQWDB-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201277807 836121962 /nfs/dbraw/zinc/12/19/62/836121962.db2.gz XWRPHKFPHPXFRF-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277302 836122138 /nfs/dbraw/zinc/12/21/38/836122138.db2.gz PTWJFCNFPMZKIS-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CC[C@@H](NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309907 836127231 /nfs/dbraw/zinc/12/72/31/836127231.db2.gz URRQHIGACGQZPW-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309521 836127418 /nfs/dbraw/zinc/12/74/18/836127418.db2.gz RBCKDUSRZILKPO-HIFRSBDPSA-N 1 3 340.468 -0.330 20 0 EBADHO CN1CCC[C@@H](NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335035 836130772 /nfs/dbraw/zinc/13/07/72/836130772.db2.gz MMHBSSQUMPNJFB-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335467 836131276 /nfs/dbraw/zinc/13/12/76/836131276.db2.gz PGBYAUIATXNYQI-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001201404829 836141049 /nfs/dbraw/zinc/14/10/49/836141049.db2.gz XMNDCDVKOCGEIS-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001201557042 836159450 /nfs/dbraw/zinc/15/94/50/836159450.db2.gz CCJJZNSLKYECHD-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201560160 836160675 /nfs/dbraw/zinc/16/06/75/836160675.db2.gz YTXVMQMAMKFIFG-LSDHHAIUSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201560160 836160680 /nfs/dbraw/zinc/16/06/80/836160680.db2.gz YTXVMQMAMKFIFG-LSDHHAIUSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201569102 836161115 /nfs/dbraw/zinc/16/11/15/836161115.db2.gz MOLFJROVDQKLPJ-ZFWWWQNUSA-N 1 3 340.468 -0.201 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201678296 836174818 /nfs/dbraw/zinc/17/48/18/836174818.db2.gz IHDLVGOBIXVJFK-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001201931985 836217982 /nfs/dbraw/zinc/21/79/82/836217982.db2.gz QBFTXAQZISUIDQ-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201932014 836218134 /nfs/dbraw/zinc/21/81/34/836218134.db2.gz QSDKQHMGMZYUHP-OAHLLOKOSA-N 1 3 338.456 -0.173 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201932506 836218174 /nfs/dbraw/zinc/21/81/74/836218174.db2.gz ZRUUQDFPGAPZKF-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057149 836242631 /nfs/dbraw/zinc/24/26/31/836242631.db2.gz CWVCLATWPHQVSE-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057149 836242645 /nfs/dbraw/zinc/24/26/45/836242645.db2.gz CWVCLATWPHQVSE-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057165 836243631 /nfs/dbraw/zinc/24/36/31/836243631.db2.gz DOMOGPJNTBGCRT-CABCVRRESA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057165 836243644 /nfs/dbraw/zinc/24/36/44/836243644.db2.gz DOMOGPJNTBGCRT-CABCVRRESA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001202059430 836243949 /nfs/dbraw/zinc/24/39/49/836243949.db2.gz PLXHNXOSQMNXSM-ZFWWWQNUSA-N 1 3 338.452 -0.576 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001202059430 836243959 /nfs/dbraw/zinc/24/39/59/836243959.db2.gz PLXHNXOSQMNXSM-ZFWWWQNUSA-N 1 3 338.452 -0.576 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059889 836244174 /nfs/dbraw/zinc/24/41/74/836244174.db2.gz SJGKJNLLERYRNQ-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059889 836244179 /nfs/dbraw/zinc/24/41/79/836244179.db2.gz SJGKJNLLERYRNQ-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202133522 836259892 /nfs/dbraw/zinc/25/98/92/836259892.db2.gz FNTXKIJWBNVKAQ-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001202163842 836265865 /nfs/dbraw/zinc/26/58/65/836265865.db2.gz IQYCKKZNQJOPPN-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001202163612 836266770 /nfs/dbraw/zinc/26/67/70/836266770.db2.gz HITNBKUIFQNGRO-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202496520 836308737 /nfs/dbraw/zinc/30/87/37/836308737.db2.gz UJSKXBOHEKTKEY-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001202518455 836309996 /nfs/dbraw/zinc/30/99/96/836309996.db2.gz UZJPHAIPVYNEFD-UHFFFAOYSA-N 1 3 339.440 -0.506 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203932619 836488894 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837204455 /nfs/dbraw/zinc/20/44/55/837204455.db2.gz DFBWJTKWOVCTLT-ZFWWWQNUSA-N 1 3 349.435 -0.484 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@H]1C ZINC001210040171 837229047 /nfs/dbraw/zinc/22/90/47/837229047.db2.gz CBMMJYXOLWCZMK-BZUAXINKSA-N 1 3 345.484 -0.211 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@H]1C ZINC001210040171 837229053 /nfs/dbraw/zinc/22/90/53/837229053.db2.gz CBMMJYXOLWCZMK-BZUAXINKSA-N 1 3 345.484 -0.211 20 0 EBADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338548 837272826 /nfs/dbraw/zinc/27/28/26/837272826.db2.gz FYZZAGTTXLFBNM-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001210492873 837289870 /nfs/dbraw/zinc/28/98/70/837289870.db2.gz FFSMOCRVZRUQID-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001210492873 837289877 /nfs/dbraw/zinc/28/98/77/837289877.db2.gz FFSMOCRVZRUQID-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673880 837316226 /nfs/dbraw/zinc/31/62/26/837316226.db2.gz IZJJIRGHTUFSQH-OLZOCXBDSA-N 1 3 339.440 -0.636 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673880 837316239 /nfs/dbraw/zinc/31/62/39/837316239.db2.gz IZJJIRGHTUFSQH-OLZOCXBDSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@H](N[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742217 837328010 /nfs/dbraw/zinc/32/80/10/837328010.db2.gz BTJPZCHNWIGYIT-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO COCCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730361 837853444 /nfs/dbraw/zinc/85/34/44/837853444.db2.gz MRENNTZRBODJFK-HUUCEWRRSA-N 1 3 331.457 -0.193 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863799 837889449 /nfs/dbraw/zinc/88/94/49/837889449.db2.gz SZDWAUBDTCSCIQ-BZUAXINKSA-N 1 3 343.468 -0.193 20 0 EBADHO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863799 837889457 /nfs/dbraw/zinc/88/94/57/837889457.db2.gz SZDWAUBDTCSCIQ-BZUAXINKSA-N 1 3 343.468 -0.193 20 0 EBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001319561164 838150328 /nfs/dbraw/zinc/15/03/28/838150328.db2.gz UAKIOKNYPJFUMN-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321394086 838981345 /nfs/dbraw/zinc/98/13/45/838981345.db2.gz VJWCBASNYSHTJE-IBPBTGAJSA-N 1 3 339.440 -0.566 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321394086 838981356 /nfs/dbraw/zinc/98/13/56/838981356.db2.gz VJWCBASNYSHTJE-IBPBTGAJSA-N 1 3 339.440 -0.566 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418028 838988353 /nfs/dbraw/zinc/98/83/53/838988353.db2.gz XHZIYWDYHBGQFZ-SCOBNMCVSA-N 1 3 339.440 -0.292 20 0 EBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001321564693 839019699 /nfs/dbraw/zinc/01/96/99/839019699.db2.gz VGJPALMVDAHWNW-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001325096439 839777438 /nfs/dbraw/zinc/77/74/38/839777438.db2.gz IACJKYMIJLBLFT-WBVHZDCISA-N 1 3 343.468 -0.579 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001325096439 839777446 /nfs/dbraw/zinc/77/74/46/839777446.db2.gz IACJKYMIJLBLFT-WBVHZDCISA-N 1 3 343.468 -0.579 20 0 EBADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001327498112 840436827 /nfs/dbraw/zinc/43/68/27/840436827.db2.gz JJYXBXFRIRRRCH-UKRRQHHQSA-N 1 3 338.452 -0.447 20 0 EBADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001328217656 840624390 /nfs/dbraw/zinc/62/43/90/840624390.db2.gz KSDQGKYTNGETRX-UHFFFAOYSA-N 1 3 329.441 -0.966 20 0 EBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001328745281 840739604 /nfs/dbraw/zinc/73/96/04/840739604.db2.gz DLOPPJGYCIUGCQ-XGUBFFRZSA-N 1 3 338.452 -0.401 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001328965619 840801398 /nfs/dbraw/zinc/80/13/98/840801398.db2.gz MDFDLTBAAYNRSI-CYBMUJFWSA-N 1 3 325.417 -0.681 20 0 EBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329051515 840826681 /nfs/dbraw/zinc/82/66/81/840826681.db2.gz CBGNSXVQJHYIOJ-VXGBXAGGSA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330532814 841231510 /nfs/dbraw/zinc/23/15/10/841231510.db2.gz SLTIWTVXLGVESH-OUCADQQQSA-N 1 3 326.441 -0.402 20 0 EBADHO [NH3+]CC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001330542459 841233084 /nfs/dbraw/zinc/23/30/84/841233084.db2.gz ADAUQYQLRIQSCG-HNNXBMFYSA-N 1 3 338.452 -0.447 20 0 EBADHO CO[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001331056140 841324357 /nfs/dbraw/zinc/32/43/57/841324357.db2.gz ISVHGJPCBYAZPC-AWEZNQCLSA-N 1 3 328.457 -0.424 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001331133672 841348021 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/nfs/dbraw/zinc/12/60/94/843126094.db2.gz ZJIXDYKGCVSPNO-SOUVJXGZSA-N 1 3 338.452 -0.759 20 0 EBADHO C[C@@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)CN1CCN(C)CC1 ZINC001343451769 843238444 /nfs/dbraw/zinc/23/84/44/843238444.db2.gz GJGWURNSNYBPFD-GJZGRUSLSA-N 1 3 339.484 -0.817 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001345958307 843465693 /nfs/dbraw/zinc/46/56/93/843465693.db2.gz JITOPEBMQMMZIR-KFWWJZLASA-N 1 3 339.484 -0.770 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC001348713694 843739108 /nfs/dbraw/zinc/73/91/08/843739108.db2.gz CJUMEFFAONQACU-GASCZTMLSA-N 1 3 349.479 -0.812 20 0 EBADHO CC[C@H](C(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1)N(C)C ZINC001687263061 1125821993 /nfs/dbraw/zinc/82/19/93/1125821993.db2.gz LGPZFHMMLILUKN-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001691171016 1125840458 /nfs/dbraw/zinc/84/04/58/1125840458.db2.gz LOCUIJXNKUKXBR-CQSZACIVSA-N 1 3 338.452 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ZINC001671255836 1125994897 /nfs/dbraw/zinc/99/48/97/1125994897.db2.gz AEHMBTIKWLZYSZ-KBPBESRZSA-N 1 3 348.513 -0.155 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)NC(=O)NC ZINC001481814308 1126058110 /nfs/dbraw/zinc/05/81/10/1126058110.db2.gz UHZVPAKOQJGUCN-FRRDWIJNSA-N 1 3 341.456 -0.343 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)NC(=O)NC ZINC001481814308 1126058112 /nfs/dbraw/zinc/05/81/12/1126058112.db2.gz UHZVPAKOQJGUCN-FRRDWIJNSA-N 1 3 341.456 -0.343 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001482355340 1126137248 /nfs/dbraw/zinc/13/72/48/1126137248.db2.gz FJCXFYBJXQRFMV-NWDGAFQWSA-N 1 3 329.445 -0.391 20 0 EBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730084 1126268948 /nfs/dbraw/zinc/26/89/48/1126268948.db2.gz SLFQFGKZFBFZKJ-HZPDHXFCSA-N 1 3 333.436 -0.306 20 0 EBADHO CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482756395 1126278634 /nfs/dbraw/zinc/27/86/34/1126278634.db2.gz QZTYRDYGEZTFMQ-CYBMUJFWSA-N 1 3 328.457 -0.594 20 0 EBADHO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001482756395 1126278636 /nfs/dbraw/zinc/27/86/36/1126278636.db2.gz QZTYRDYGEZTFMQ-CYBMUJFWSA-N 1 3 328.457 -0.594 20 0 EBADHO C[C@@H](NC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761846 1126280355 /nfs/dbraw/zinc/28/03/55/1126280355.db2.gz HXPZJULDJNBWAU-OLZOCXBDSA-N 1 3 342.484 -0.302 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790835 1126292341 /nfs/dbraw/zinc/29/23/41/1126292341.db2.gz KMKANTBAWQISSZ-ZIAGYGMSSA-N 1 3 342.484 -0.443 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790835 1126292342 /nfs/dbraw/zinc/29/23/42/1126292342.db2.gz KMKANTBAWQISSZ-ZIAGYGMSSA-N 1 3 342.484 -0.443 20 0 EBADHO CCN(CCNCC(=O)NC1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482967699 1126307088 /nfs/dbraw/zinc/30/70/88/1126307088.db2.gz XDHKZVRJGASESJ-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CCNCC(=O)NC1CCOCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482967699 1126307090 /nfs/dbraw/zinc/30/70/90/1126307090.db2.gz XDHKZVRJGASESJ-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H]1CN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001691603274 1126325002 /nfs/dbraw/zinc/32/50/02/1126325002.db2.gz XVGMTEBZTAJHIO-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H]1CN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001691603274 1126325003 /nfs/dbraw/zinc/32/50/03/1126325003.db2.gz XVGMTEBZTAJHIO-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001483167272 1126349380 /nfs/dbraw/zinc/34/93/80/1126349380.db2.gz XYBQLAZDXKBHCZ-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483178854 1126350839 /nfs/dbraw/zinc/35/08/39/1126350839.db2.gz YBYGDEUPEAAFJS-OLZOCXBDSA-N 1 3 328.457 -0.332 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001483244464 1126409876 /nfs/dbraw/zinc/40/98/76/1126409876.db2.gz YIMHDGXWOUMMHV-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483244464 1126409878 /nfs/dbraw/zinc/40/98/78/1126409878.db2.gz YIMHDGXWOUMMHV-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483417537 1126426228 /nfs/dbraw/zinc/42/62/28/1126426228.db2.gz MHNYTFMHVUJDDV-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483417537 1126426229 /nfs/dbraw/zinc/42/62/29/1126426229.db2.gz MHNYTFMHVUJDDV-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001483793689 1126477864 /nfs/dbraw/zinc/47/78/64/1126477864.db2.gz LBXPETMWXXVVTG-ZDUSSCGKSA-N 1 3 336.436 -0.094 20 0 EBADHO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484355542 1126565048 /nfs/dbraw/zinc/56/50/48/1126565048.db2.gz HIJGKWLIPJQLGC-RYUDHWBXSA-N 1 3 325.413 -0.896 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001484377399 1126566330 /nfs/dbraw/zinc/56/63/30/1126566330.db2.gz FTOGBCWLBOZWEJ-WDEREUQCSA-N 1 3 336.396 -0.908 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001484514482 1126600696 /nfs/dbraw/zinc/60/06/96/1126600696.db2.gz ZVBJBGUSNRVUNB-OLZOCXBDSA-N 1 3 339.440 -0.636 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCCNS(C)(=O)=O)CCC2)C1 ZINC001484660696 1126614714 /nfs/dbraw/zinc/61/47/14/1126614714.db2.gz MVCPPBGPWMOWLG-ZDUSSCGKSA-N 1 3 346.497 -0.494 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCCNS(C)(=O)=O)CCC2)C1 ZINC001484660696 1126614716 /nfs/dbraw/zinc/61/47/16/1126614716.db2.gz MVCPPBGPWMOWLG-ZDUSSCGKSA-N 1 3 346.497 -0.494 20 0 EBADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCC(=O)NC(N)=O ZINC001484893442 1126650978 /nfs/dbraw/zinc/65/09/78/1126650978.db2.gz BPBNNGAYZYZKAO-NEPJUHHUSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485147967 1126676858 /nfs/dbraw/zinc/67/68/58/1126676858.db2.gz SJXZQLNWCRKOEH-VXGBXAGGSA-N 1 3 341.456 -0.071 20 0 EBADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)CCN1C(=O)NC(C)(C)C1=O ZINC001485347205 1126691672 /nfs/dbraw/zinc/69/16/72/1126691672.db2.gz GGJRNLIOVTWGOO-GFCCVEGCSA-N 1 3 341.456 -0.295 20 0 EBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCNS(C)(=O)=O ZINC001485881745 1126905300 /nfs/dbraw/zinc/90/53/00/1126905300.db2.gz KJWKXXMNXBCGCK-GFCCVEGCSA-N 1 3 334.486 -0.544 20 0 EBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCOCC1 ZINC001485920076 1126916144 /nfs/dbraw/zinc/91/61/44/1126916144.db2.gz QTDCBIFYAQOWJB-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485921953 1126916291 /nfs/dbraw/zinc/91/62/91/1126916291.db2.gz FPRPOVZFBMAPQL-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485921953 1126916299 /nfs/dbraw/zinc/91/62/99/1126916299.db2.gz FPRPOVZFBMAPQL-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC001486124226 1127041988 /nfs/dbraw/zinc/04/19/88/1127041988.db2.gz NGTWFKZCIKHAMJ-AAEUAGOBSA-N 1 3 348.407 -0.527 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298839 1127106043 /nfs/dbraw/zinc/10/60/43/1127106043.db2.gz YHKYQFJSKZOSLC-MRXNPFEDSA-N 1 3 337.468 -0.021 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298838 1127106280 /nfs/dbraw/zinc/10/62/80/1127106280.db2.gz YHKYQFJSKZOSLC-INIZCTEOSA-N 1 3 337.468 -0.021 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001486317382 1127119644 /nfs/dbraw/zinc/11/96/44/1127119644.db2.gz HEUKBBKSBUIVIU-DZGCQCFKSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(C)C1(C(=O)N(C)CCOCC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001486494463 1127188280 /nfs/dbraw/zinc/18/82/80/1127188280.db2.gz LATNVBUEZPUTIH-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CCOCCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486498445 1127191782 /nfs/dbraw/zinc/19/17/82/1127191782.db2.gz AQKMGUHSZWXRAB-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(CCOCCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486498445 1127191785 /nfs/dbraw/zinc/19/17/85/1127191785.db2.gz AQKMGUHSZWXRAB-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(CCOCCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486498449 1127192110 /nfs/dbraw/zinc/19/21/10/1127192110.db2.gz AQKMGUHSZWXRAB-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(CCOCCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486498449 1127192112 /nfs/dbraw/zinc/19/21/12/1127192112.db2.gz AQKMGUHSZWXRAB-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410128995 1127594572 /nfs/dbraw/zinc/59/45/72/1127594572.db2.gz MOVGMCDSCSLLFS-SOUVJXGZSA-N 1 3 342.484 -0.350 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001410128995 1127594575 /nfs/dbraw/zinc/59/45/75/1127594575.db2.gz MOVGMCDSCSLLFS-SOUVJXGZSA-N 1 3 342.484 -0.350 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001410156910 1127618017 /nfs/dbraw/zinc/61/80/17/1127618017.db2.gz XBZUOOVJJZHZSF-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001410166391 1127624021 /nfs/dbraw/zinc/62/40/21/1127624021.db2.gz ZAZARKIXONQGLC-ZIAGYGMSSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)N1CCOCC1)[NH+](C)C ZINC001410387696 1127697251 /nfs/dbraw/zinc/69/72/51/1127697251.db2.gz QMQGQSFEKAFKMI-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432643 1127712991 /nfs/dbraw/zinc/71/29/91/1127712991.db2.gz IIRSSHALRILRFP-QWHCGFSZSA-N 1 3 343.472 -0.003 20 0 EBADHO CN(CC1CC1)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001410690963 1127814876 /nfs/dbraw/zinc/81/48/76/1127814876.db2.gz ZZSHTWVRBYIKJS-CABCVRRESA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001410865034 1127921843 /nfs/dbraw/zinc/92/18/43/1127921843.db2.gz USIJSIDPDVCUEW-CHWSQXEVSA-N 1 3 339.440 -0.508 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001410873483 1127925330 /nfs/dbraw/zinc/92/53/30/1127925330.db2.gz VKJZSZILFHXVLD-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410958288 1127952186 /nfs/dbraw/zinc/95/21/86/1127952186.db2.gz PJUFMFYKZOLWSQ-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410958262 1127952352 /nfs/dbraw/zinc/95/23/52/1127952352.db2.gz PJUFMFYKZOLWSQ-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)N1CCC1)[NH+](C)C ZINC001411085151 1128008846 /nfs/dbraw/zinc/00/88/46/1128008846.db2.gz OUSGRCBOKXNNTE-DZGCQCFKSA-N 1 3 328.457 -0.786 20 0 EBADHO CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122200 1128023831 /nfs/dbraw/zinc/02/38/31/1128023831.db2.gz GVQCYLBEURKTPB-HUUCEWRRSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001411147343 1128040288 /nfs/dbraw/zinc/04/02/88/1128040288.db2.gz PBNPXRYPUPHPRU-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001411147343 1128040293 /nfs/dbraw/zinc/04/02/93/1128040293.db2.gz PBNPXRYPUPHPRU-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CNCCS(C)(=O)=O)C2)CC1 ZINC001280627306 1128110780 /nfs/dbraw/zinc/11/07/80/1128110780.db2.gz DKWPZYJDGCLVNU-CQSZACIVSA-N 1 3 347.481 -0.810 20 0 EBADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133748 1128296765 /nfs/dbraw/zinc/29/67/65/1128296765.db2.gz MPPBECUGMWTAJX-RBSFLKMASA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC[C@H]1CCOC1 ZINC001187841420 1128355941 /nfs/dbraw/zinc/35/59/41/1128355941.db2.gz APPWRFHFWFIOGQ-HUUCEWRRSA-N 1 3 338.452 -0.575 20 0 EBADHO CN(C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)Cc1c[nH]cn1 ZINC001488414161 1128748503 /nfs/dbraw/zinc/74/85/03/1128748503.db2.gz QVAFOSNKRHFWFT-GJZGRUSLSA-N 1 3 349.435 -0.771 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001489199775 1128930690 /nfs/dbraw/zinc/93/06/90/1128930690.db2.gz OQLFENYGAUDHKC-OWCLPIDISA-N 1 3 325.453 -0.130 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001489199775 1128930693 /nfs/dbraw/zinc/93/06/93/1128930693.db2.gz OQLFENYGAUDHKC-OWCLPIDISA-N 1 3 325.453 -0.130 20 0 EBADHO C[C@H](NCC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305365 1129160337 /nfs/dbraw/zinc/16/03/37/1129160337.db2.gz GFUCACAHAOUBLK-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC2(CCO)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001411774536 1129379556 /nfs/dbraw/zinc/37/95/56/1129379556.db2.gz SFPCMRQVUQMUKW-ZDUSSCGKSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC2(CCO)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001411774536 1129379560 /nfs/dbraw/zinc/37/95/60/1129379560.db2.gz SFPCMRQVUQMUKW-ZDUSSCGKSA-N 1 3 349.435 -0.626 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001412885078 1129758139 /nfs/dbraw/zinc/75/81/39/1129758139.db2.gz SJDBWOXLWRYFRP-HZSPNIEDSA-N 1 3 340.468 -0.596 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001412885078 1129758140 /nfs/dbraw/zinc/75/81/40/1129758140.db2.gz SJDBWOXLWRYFRP-HZSPNIEDSA-N 1 3 340.468 -0.596 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937667 1129792950 /nfs/dbraw/zinc/79/29/50/1129792950.db2.gz OJGAAVXZGJTNIF-ZIAGYGMSSA-N 1 3 340.468 -0.594 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937667 1129792954 /nfs/dbraw/zinc/79/29/54/1129792954.db2.gz OJGAAVXZGJTNIF-ZIAGYGMSSA-N 1 3 340.468 -0.594 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001490928298 1130266617 /nfs/dbraw/zinc/26/66/17/1130266617.db2.gz LOXYVOIHNURYSL-CYDGBPFRSA-N 1 3 339.440 -0.591 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001491023887 1130294968 /nfs/dbraw/zinc/29/49/68/1130294968.db2.gz WCHNWFVVPYXYQJ-XQHKEYJVSA-N 1 3 342.415 -0.292 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001491078978 1130313746 /nfs/dbraw/zinc/31/37/46/1130313746.db2.gz CJXJNUYQMKGHGW-RWMBFGLXSA-N 1 3 332.408 -0.396 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001491078978 1130313751 /nfs/dbraw/zinc/31/37/51/1130313751.db2.gz CJXJNUYQMKGHGW-RWMBFGLXSA-N 1 3 332.408 -0.396 20 0 EBADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCCN(C)S(C)(=O)=O ZINC001491514037 1130478579 /nfs/dbraw/zinc/47/85/79/1130478579.db2.gz XAFNZWONIJJTMK-ZDUSSCGKSA-N 1 3 346.497 -0.400 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548080 1130498483 /nfs/dbraw/zinc/49/84/83/1130498483.db2.gz NBIYUAYDWMEBRH-VXGBXAGGSA-N 1 3 341.456 -0.201 20 0 EBADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC001492215247 1130600848 /nfs/dbraw/zinc/60/08/48/1130600848.db2.gz OHCMRNQNCRJCIN-HOCLYGCPSA-N 1 3 343.468 -0.315 20 0 EBADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC001492215247 1130600851 /nfs/dbraw/zinc/60/08/51/1130600851.db2.gz OHCMRNQNCRJCIN-HOCLYGCPSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CCCN2C(=O)CNC2=O)C1 ZINC001492420299 1130663184 /nfs/dbraw/zinc/66/31/84/1130663184.db2.gz AAAXJAVAYKOOED-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CCCN2C(=O)CNC2=O)C1 ZINC001492420299 1130663190 /nfs/dbraw/zinc/66/31/90/1130663190.db2.gz AAAXJAVAYKOOED-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO COC1CCN(CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357428914 1131087055 /nfs/dbraw/zinc/08/70/55/1131087055.db2.gz SXIRMWYOWNQCSA-AWEZNQCLSA-N 1 3 326.441 -0.589 20 0 EBADHO C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC001363239956 1131844907 /nfs/dbraw/zinc/84/49/07/1131844907.db2.gz DCCBATVUHJHWLR-MGPQQGTHSA-N 1 3 333.498 -0.135 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365830300 1132822352 /nfs/dbraw/zinc/82/23/52/1132822352.db2.gz BJNCAVOHBNHOLA-AVGNSLFASA-N 1 3 339.440 -0.462 20 0 EBADHO CS(=O)(=O)CCN[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001365838211 1132826187 /nfs/dbraw/zinc/82/61/87/1132826187.db2.gz APWWHAZIAYDEMX-JOCQHMNTSA-N 1 3 329.466 -0.389 20 0 EBADHO Cc1nnc(NC(=O)CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001366156142 1133030352 /nfs/dbraw/zinc/03/03/52/1133030352.db2.gz POJYFZHJABJLID-PHIMTYICSA-N 1 3 340.453 -0.026 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366171700 1133037782 /nfs/dbraw/zinc/03/77/82/1133037782.db2.gz LGMDSPPXLDGOAX-NDBYEHHHSA-N 1 3 339.440 -0.319 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366208008 1133056489 /nfs/dbraw/zinc/05/64/89/1133056489.db2.gz OUCYWBKPCDTMSO-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366343039 1133106006 /nfs/dbraw/zinc/10/60/06/1133106006.db2.gz HWYVEQHXGSQUOL-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001366777741 1133294799 /nfs/dbraw/zinc/29/47/99/1133294799.db2.gz SGHWBPPDFTTYCE-NSHDSACASA-N 1 3 327.429 -0.780 20 0 EBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001366779383 1133295691 /nfs/dbraw/zinc/29/56/91/1133295691.db2.gz WVOUKQJMXQDFHC-AAEUAGOBSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367385970 1133573344 /nfs/dbraw/zinc/57/33/44/1133573344.db2.gz OOYRBMRILRDHNQ-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433838 1133588728 /nfs/dbraw/zinc/58/87/28/1133588728.db2.gz FKTFOGRTVNWUSF-VXGBXAGGSA-N 1 3 339.440 -0.508 20 0 EBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001367660829 1133734272 /nfs/dbraw/zinc/73/42/72/1133734272.db2.gz UQOZKUGWXPOABC-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105056 1133940547 /nfs/dbraw/zinc/94/05/47/1133940547.db2.gz CWKYQKSFWDTSNL-DGCLKSJQSA-N 1 3 339.440 -0.508 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121735 1133947645 /nfs/dbraw/zinc/94/76/45/1133947645.db2.gz HIVJSFCEACVBRS-NWDGAFQWSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121735 1133947650 /nfs/dbraw/zinc/94/76/50/1133947650.db2.gz HIVJSFCEACVBRS-NWDGAFQWSA-N 1 3 325.413 -0.896 20 0 EBADHO CCNC(=O)CNC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001368232998 1134000825 /nfs/dbraw/zinc/00/08/25/1134000825.db2.gz GSASXMRUTWTJAW-OAHLLOKOSA-N 1 3 342.484 -0.036 20 0 EBADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001368238716 1134007272 /nfs/dbraw/zinc/00/72/72/1134007272.db2.gz FCHYLTQGFMMCDG-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001368393294 1134195950 /nfs/dbraw/zinc/19/59/50/1134195950.db2.gz CUNAHDDPJWCAKB-HUUCEWRRSA-N 1 3 340.468 -0.450 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001368393294 1134195953 /nfs/dbraw/zinc/19/59/53/1134195953.db2.gz CUNAHDDPJWCAKB-HUUCEWRRSA-N 1 3 340.468 -0.450 20 0 EBADHO CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001368395856 1134197852 /nfs/dbraw/zinc/19/78/52/1134197852.db2.gz SKQTXHJTKUKCAH-CQSZACIVSA-N 1 3 342.484 -0.204 20 0 EBADHO NC(=O)NC(=O)CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001368476792 1134246322 /nfs/dbraw/zinc/24/63/22/1134246322.db2.gz XFUTZMQOYXTLLH-LBPRGKRZSA-N 1 3 337.424 -0.848 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521570 1134272738 /nfs/dbraw/zinc/27/27/38/1134272738.db2.gz VMFAJLGPBQMTEP-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521574 1134272806 /nfs/dbraw/zinc/27/28/06/1134272806.db2.gz VMFAJLGPBQMTEP-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368620967 1134332689 /nfs/dbraw/zinc/33/26/89/1134332689.db2.gz HRAMTFVXRCXHSA-UXLLHSPISA-N 1 3 345.484 -0.477 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]CCn2cncn2)C1 ZINC001368636009 1134347773 /nfs/dbraw/zinc/34/77/73/1134347773.db2.gz YZKWLEDTHNILFZ-MRXNPFEDSA-N 1 3 338.456 -0.437 20 0 EBADHO CNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001368685719 1134385258 /nfs/dbraw/zinc/38/52/58/1134385258.db2.gz JLOARDJUVZOGIR-CQSZACIVSA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001368685719 1134385264 /nfs/dbraw/zinc/38/52/64/1134385264.db2.gz JLOARDJUVZOGIR-CQSZACIVSA-N 1 3 340.468 -0.452 20 0 EBADHO CCn1nncc1CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368695687 1134396819 /nfs/dbraw/zinc/39/68/19/1134396819.db2.gz VREOCXDSLZFDDR-UHFFFAOYSA-N 1 3 338.456 -0.307 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC2(CO)CCN(CCO)CC2)CC1 ZINC001368773211 1134434255 /nfs/dbraw/zinc/43/42/55/1134434255.db2.gz SYAPLBIKVXFNKM-UHFFFAOYSA-N 1 3 329.441 -0.967 20 0 EBADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001368919746 1134484704 /nfs/dbraw/zinc/48/47/04/1134484704.db2.gz RSVCWNRDLACWHH-RYUDHWBXSA-N 1 3 343.472 -0.016 20 0 EBADHO COC[C@H](O)CN1CC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092984 1134560756 /nfs/dbraw/zinc/56/07/56/1134560756.db2.gz BHVHATNXJUWYQO-UKRRQHHQSA-N 1 3 343.468 -0.459 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001369184086 1134609283 /nfs/dbraw/zinc/60/92/83/1134609283.db2.gz CDZWHAIDHCALJF-JOCQHMNTSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369272073 1134636898 /nfs/dbraw/zinc/63/68/98/1134636898.db2.gz WTDRWFDRHUBBJH-AVGNSLFASA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001369272073 1134636901 /nfs/dbraw/zinc/63/69/01/1134636901.db2.gz WTDRWFDRHUBBJH-AVGNSLFASA-N 1 3 341.456 -0.391 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369375932 1134732988 /nfs/dbraw/zinc/73/29/88/1134732988.db2.gz RGGXXPPDXQWKQW-KGLIPLIRSA-N 1 3 328.457 -0.690 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)[C@@H]1C ZINC001369391364 1134752621 /nfs/dbraw/zinc/75/26/21/1134752621.db2.gz MUVZDELNJSRYNR-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)[C@@H]1C ZINC001369391364 1134752627 /nfs/dbraw/zinc/75/26/27/1134752627.db2.gz MUVZDELNJSRYNR-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CN1CCC(C)CC1 ZINC001369397783 1134757612 /nfs/dbraw/zinc/75/76/12/1134757612.db2.gz HMOQEDPETYUYLK-STQMWFEESA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H](N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443749 1134783224 /nfs/dbraw/zinc/78/32/24/1134783224.db2.gz RGJJMPDVALRQJP-NEPJUHHUSA-N 1 3 341.456 -0.262 20 0 EBADHO CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468746 1134817961 /nfs/dbraw/zinc/81/79/61/1134817961.db2.gz FUTDGVYFEIXITE-KGLIPLIRSA-N 1 3 340.468 -0.500 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472754 1134828564 /nfs/dbraw/zinc/82/85/64/1134828564.db2.gz LDGJKHHMOLPKJH-OLZOCXBDSA-N 1 3 326.441 -0.842 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369482281 1134849659 /nfs/dbraw/zinc/84/96/59/1134849659.db2.gz SHKFOILSINZLFR-HOCLYGCPSA-N 1 3 337.468 -0.021 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369482281 1134849663 /nfs/dbraw/zinc/84/96/63/1134849663.db2.gz SHKFOILSINZLFR-HOCLYGCPSA-N 1 3 337.468 -0.021 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001369489561 1134862890 /nfs/dbraw/zinc/86/28/90/1134862890.db2.gz XOXSQFZDDQIIPW-LSDHHAIUSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370720970 1135544881 /nfs/dbraw/zinc/54/48/81/1135544881.db2.gz ZOEZRGFGRNELCS-CABCVRRESA-N 1 3 340.468 -0.738 20 0 EBADHO CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370727311 1135555220 /nfs/dbraw/zinc/55/52/20/1135555220.db2.gz SAFTUUSTFYTDAA-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001370811869 1135653203 /nfs/dbraw/zinc/65/32/03/1135653203.db2.gz YZIVYZJMZXHBHH-NEPJUHHUSA-N 1 3 325.413 -0.896 20 0 EBADHO CCCN(C)CC(=O)N(C)C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371016240 1135779230 /nfs/dbraw/zinc/77/92/30/1135779230.db2.gz MGBZZOLUDTVYGQ-OAHLLOKOSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001371184799 1135858871 /nfs/dbraw/zinc/85/88/71/1135858871.db2.gz HUVNTVMPSCOQLQ-HZSPNIEDSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001371184799 1135858874 /nfs/dbraw/zinc/85/88/74/1135858874.db2.gz HUVNTVMPSCOQLQ-HZSPNIEDSA-N 1 3 348.513 -0.298 20 0 EBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCOC[C@H]1C1CC1 ZINC001371345069 1135893501 /nfs/dbraw/zinc/89/35/01/1135893501.db2.gz HMHRVKCSZMKKDK-ZFWWWQNUSA-N 1 3 340.468 -0.330 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCN(C[C@@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897265 1136318214 /nfs/dbraw/zinc/31/82/14/1136318214.db2.gz PVUCPPHPRMYIQL-GOEBONIOSA-N 1 3 335.452 -0.224 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCN(C[C@@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897265 1136318216 /nfs/dbraw/zinc/31/82/16/1136318216.db2.gz PVUCPPHPRMYIQL-GOEBONIOSA-N 1 3 335.452 -0.224 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(C[C@@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897261 1136318287 /nfs/dbraw/zinc/31/82/87/1136318287.db2.gz PVUCPPHPRMYIQL-GDBMZVCRSA-N 1 3 335.452 -0.224 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCN(C[C@@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897261 1136318288 /nfs/dbraw/zinc/31/82/88/1136318288.db2.gz PVUCPPHPRMYIQL-GDBMZVCRSA-N 1 3 335.452 -0.224 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001372940999 1136332590 /nfs/dbraw/zinc/33/25/90/1136332590.db2.gz MWGDAHNGUQIVKU-AAEUAGOBSA-N 1 3 339.440 -0.780 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001373033981 1136357974 /nfs/dbraw/zinc/35/79/74/1136357974.db2.gz OYVCXXUBERJIIG-GFCCVEGCSA-N 1 3 341.456 -0.262 20 0 EBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001373757596 1136553791 /nfs/dbraw/zinc/55/37/91/1136553791.db2.gz HGAGGGALWXEXFO-RYUDHWBXSA-N 1 3 341.456 -0.201 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787877 1136560757 /nfs/dbraw/zinc/56/07/57/1136560757.db2.gz GOKDTWUNKPWISY-CHWSQXEVSA-N 1 3 341.456 -0.212 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787877 1136560760 /nfs/dbraw/zinc/56/07/60/1136560760.db2.gz GOKDTWUNKPWISY-CHWSQXEVSA-N 1 3 341.456 -0.212 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001373970179 1136596030 /nfs/dbraw/zinc/59/60/30/1136596030.db2.gz HOYJSVZLPHZIQS-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001373970179 1136596033 /nfs/dbraw/zinc/59/60/33/1136596033.db2.gz HOYJSVZLPHZIQS-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H](C)C[NH2+]Cc1cnon1 ZINC001374109959 1136624011 /nfs/dbraw/zinc/62/40/11/1136624011.db2.gz QUHYCKAVOWDONT-CHWSQXEVSA-N 1 3 325.413 -0.120 20 0 EBADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC(=O)NC(N)=O ZINC001374112316 1136624626 /nfs/dbraw/zinc/62/46/26/1136624626.db2.gz NDTCSCHDNYDWTF-LBPRGKRZSA-N 1 3 349.435 -0.101 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001374237009 1136655303 /nfs/dbraw/zinc/65/53/03/1136655303.db2.gz YECSFNJBCSNDRC-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001374237009 1136655305 /nfs/dbraw/zinc/65/53/05/1136655305.db2.gz YECSFNJBCSNDRC-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277721 1136664352 /nfs/dbraw/zinc/66/43/52/1136664352.db2.gz PZDPSHKBFWNAJC-STQMWFEESA-N 1 3 341.456 -0.260 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277721 1136664354 /nfs/dbraw/zinc/66/43/54/1136664354.db2.gz PZDPSHKBFWNAJC-STQMWFEESA-N 1 3 341.456 -0.260 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC001374613876 1136746732 /nfs/dbraw/zinc/74/67/32/1136746732.db2.gz FOEFUZBTPMIVDM-OAHLLOKOSA-N 1 3 348.447 -0.164 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374619112 1136753477 /nfs/dbraw/zinc/75/34/77/1136753477.db2.gz ZTAVQVHGYUSMLH-CQSZACIVSA-N 1 3 340.468 -0.546 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374619111 1136753682 /nfs/dbraw/zinc/75/36/82/1136753682.db2.gz ZTAVQVHGYUSMLH-AWEZNQCLSA-N 1 3 340.468 -0.546 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649950 1136774973 /nfs/dbraw/zinc/77/49/73/1136774973.db2.gz FABNXDNPYJVYRG-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672173 1136790876 /nfs/dbraw/zinc/79/08/76/1136790876.db2.gz DWRNFPZAJCGUFB-TZMCWYRMSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672173 1136790878 /nfs/dbraw/zinc/79/08/78/1136790878.db2.gz DWRNFPZAJCGUFB-TZMCWYRMSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674715 1136793134 /nfs/dbraw/zinc/79/31/34/1136793134.db2.gz JUIKTPGKOYJMBL-UONOGXRCSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674715 1136793137 /nfs/dbraw/zinc/79/31/37/1136793137.db2.gz JUIKTPGKOYJMBL-UONOGXRCSA-N 1 3 326.441 -0.983 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001374685206 1136800763 /nfs/dbraw/zinc/80/07/63/1136800763.db2.gz NVYHKQJSBZVYGP-HNNXBMFYSA-N 1 3 340.468 -0.449 20 0 EBADHO CCN(CCN[C@@H](C)C(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374706458 1136808829 /nfs/dbraw/zinc/80/88/29/1136808829.db2.gz WLSSGUGLPCNZRM-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CCN(CCN[C@@H](C)C(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001374706458 1136808833 /nfs/dbraw/zinc/80/88/33/1136808833.db2.gz WLSSGUGLPCNZRM-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001374905965 1136870010 /nfs/dbraw/zinc/87/00/10/1136870010.db2.gz NNELIFBOKXPZEK-BFHYXJOUSA-N 1 3 348.513 -0.298 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000360278975 282106785 /nfs/dbraw/zinc/10/67/85/282106785.db2.gz LVGZNFPARVLVIU-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCSC1 ZINC000642768972 376087721 /nfs/dbraw/zinc/08/77/21/376087721.db2.gz XUMPNJGJADKEAN-WFASDCNBSA-N 1 3 328.482 -0.202 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCSC1 ZINC000642768929 376088254 /nfs/dbraw/zinc/08/82/54/376088254.db2.gz SGWQYCBIJYTDTK-TYNCELHUSA-N 1 3 326.466 -0.782 20 0 EBADHO C[C@@H](CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCCCC1 ZINC000584043644 376061882 /nfs/dbraw/zinc/06/18/82/376061882.db2.gz ZQZKIFAFIUYFGU-LSDHHAIUSA-N 1 3 339.484 -0.532 20 0 EBADHO COC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000556795364 376142035 /nfs/dbraw/zinc/14/20/35/376142035.db2.gz IKJVVZRJCALCHM-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCOC1 ZINC000558209869 376228955 /nfs/dbraw/zinc/22/89/55/376228955.db2.gz LPQALUDDWYHBEN-INIZCTEOSA-N 1 3 328.457 -0.519 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333755346 284572214 /nfs/dbraw/zinc/57/22/14/284572214.db2.gz ZQFULMNKFXZORS-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccn(C)n1 ZINC000561843764 376883949 /nfs/dbraw/zinc/88/39/49/376883949.db2.gz BTVAYGCLLXRAPG-UHFFFAOYSA-N 1 3 338.456 -0.969 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000569677944 377087365 /nfs/dbraw/zinc/08/73/65/377087365.db2.gz KWPMOJDDCWEQSC-GJZGRUSLSA-N 1 3 341.500 -0.428 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1=O ZINC000635934889 377140290 /nfs/dbraw/zinc/14/02/90/377140290.db2.gz WABPZHSZJKPTGP-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000570827623 377286045 /nfs/dbraw/zinc/28/60/45/377286045.db2.gz TWHBJMLDEYUXKN-CABCVRRESA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000570827625 377287686 /nfs/dbraw/zinc/28/76/86/377287686.db2.gz TWHBJMLDEYUXKN-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000570827627 377289877 /nfs/dbraw/zinc/28/98/77/377289877.db2.gz TWHBJMLDEYUXKN-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595270605 377988056 /nfs/dbraw/zinc/98/80/56/377988056.db2.gz FPOCBJDKXGSUQF-KBXIAJHMSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595270605 377988059 /nfs/dbraw/zinc/98/80/59/377988059.db2.gz FPOCBJDKXGSUQF-KBXIAJHMSA-N 1 3 335.452 -0.043 20 0 EBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)CC1 ZINC000636791995 378397238 /nfs/dbraw/zinc/39/72/38/378397238.db2.gz NSPOZJAOHVASPV-GOEBONIOSA-N 1 3 339.484 -0.479 20 0 EBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CC[C@@H](O)C3)C2)CC1 ZINC000636791995 378397245 /nfs/dbraw/zinc/39/72/45/378397245.db2.gz NSPOZJAOHVASPV-GOEBONIOSA-N 1 3 339.484 -0.479 20 0 EBADHO C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643471 378467702 /nfs/dbraw/zinc/46/77/02/378467702.db2.gz MMBPYIVSEZSDQW-HOTGVXAUSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643471 378467705 /nfs/dbraw/zinc/46/77/05/378467705.db2.gz MMBPYIVSEZSDQW-HOTGVXAUSA-N 1 3 339.484 -0.214 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109472 378431365 /nfs/dbraw/zinc/43/13/65/378431365.db2.gz DAROOZKEGJPGCT-ZJUUUORDSA-N 1 3 340.346 -0.781 20 0 EBADHO CCC[N@@H+]1CC[C@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000339971058 379113039 /nfs/dbraw/zinc/11/30/39/379113039.db2.gz ZQTUGKXDNZBXBX-CYBMUJFWSA-N 1 3 337.472 -0.494 20 0 EBADHO CCC[N@H+]1CC[C@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000339971058 379113043 /nfs/dbraw/zinc/11/30/43/379113043.db2.gz ZQTUGKXDNZBXBX-CYBMUJFWSA-N 1 3 337.472 -0.494 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000629793877 379138381 /nfs/dbraw/zinc/13/83/81/379138381.db2.gz MQTUMSVGNFPBGQ-AWEZNQCLSA-N 1 3 342.484 -0.131 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[NH2+]1 ZINC000627479223 379189784 /nfs/dbraw/zinc/18/97/84/379189784.db2.gz YHONKHHJOSZWIW-RBSFLKMASA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312309 379304654 /nfs/dbraw/zinc/30/46/54/379304654.db2.gz WFGDDBGBXAJJLY-UONOGXRCSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839676 379367358 /nfs/dbraw/zinc/36/73/58/379367358.db2.gz WWTNOWBOPCKWOP-DYVFJYSZSA-N 1 3 338.452 -0.447 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621845675 379369371 /nfs/dbraw/zinc/36/93/71/379369371.db2.gz NMYXWHXASVVQKQ-BBRMVZONSA-N 1 3 326.441 -0.589 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN[C@H]1C[C@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801191 379472196 /nfs/dbraw/zinc/47/21/96/379472196.db2.gz AYPLDQRYPBCKMS-QWRGUYRKSA-N 1 3 334.424 -0.461 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000623968687 379494171 /nfs/dbraw/zinc/49/41/71/379494171.db2.gz KNWYJXORMUXDPZ-GFCCVEGCSA-N 1 3 337.472 -0.496 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627513749 379527084 /nfs/dbraw/zinc/52/70/84/379527084.db2.gz SVLSDCJRTYAEQX-UHFFFAOYSA-N 1 3 342.419 -0.257 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627394550 379581400 /nfs/dbraw/zinc/58/14/00/379581400.db2.gz KCPCHTLEEPIOGP-CYBMUJFWSA-N 1 3 340.468 -0.153 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425355 379592759 /nfs/dbraw/zinc/59/27/59/379592759.db2.gz NANVOIRDMYMLKI-KGLIPLIRSA-N 1 3 326.441 -0.399 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000627372289 379571981 /nfs/dbraw/zinc/57/19/81/379571981.db2.gz IPMLTIMYWWZHKM-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000627372290 379572697 /nfs/dbraw/zinc/57/26/97/379572697.db2.gz IPMLTIMYWWZHKM-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[NH2+]1 ZINC000627483780 379631471 /nfs/dbraw/zinc/63/14/71/379631471.db2.gz LBCGHIRMEBZORP-GJZGRUSLSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000627499718 379643859 /nfs/dbraw/zinc/64/38/59/379643859.db2.gz YDBZKQYWAAEVIW-SOUVJXGZSA-N 1 3 337.468 -0.909 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCOCC1 ZINC000627453417 379605453 /nfs/dbraw/zinc/60/54/53/379605453.db2.gz MYPZPAHYZBZABT-CQSZACIVSA-N 1 3 338.452 -0.303 20 0 EBADHO CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631899376 379768994 /nfs/dbraw/zinc/76/89/94/379768994.db2.gz NBEYIHBYJHNFFV-UHFFFAOYSA-N 1 3 348.513 -0.246 20 0 EBADHO CN(C)CCCS(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000632363204 379854207 /nfs/dbraw/zinc/85/42/07/379854207.db2.gz GHCHXYBDLLEALK-UHFFFAOYSA-N 1 3 348.513 -0.150 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632500425 379870167 /nfs/dbraw/zinc/87/01/67/379870167.db2.gz WFGCZOPDTMYAEY-CQSZACIVSA-N 1 3 346.497 -0.146 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627177110 379822420 /nfs/dbraw/zinc/82/24/20/379822420.db2.gz DUCRECSAPLTXHU-UHFFFAOYSA-N 1 3 341.456 -0.828 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCC[C@@H](C)C1 ZINC000627485150 379904328 /nfs/dbraw/zinc/90/43/28/379904328.db2.gz SZVQBRCEDNPCAV-ZIAGYGMSSA-N 1 3 328.457 -0.295 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)COC ZINC000340133687 380060562 /nfs/dbraw/zinc/06/05/62/380060562.db2.gz FNSFZYMVTOSYBB-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)COC ZINC000340133687 380060565 /nfs/dbraw/zinc/06/05/65/380060565.db2.gz FNSFZYMVTOSYBB-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO CN(C)[C@]1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCSC1 ZINC000354684191 380081250 /nfs/dbraw/zinc/08/12/50/380081250.db2.gz XOILUWGLBJXKAE-WFASDCNBSA-N 1 3 328.482 -0.202 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000545885352 380100442 /nfs/dbraw/zinc/10/04/42/380100442.db2.gz KSTOXIZMTLIOPA-KRWDZBQOSA-N 1 3 340.468 -0.003 20 0 EBADHO CN1CC[C@](O)(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000545879426 380100661 /nfs/dbraw/zinc/10/06/61/380100661.db2.gz ICCBZMHZBWMREV-ZWKOTPCHSA-N 1 3 333.432 -0.194 20 0 EBADHO CN1CC[C@](O)(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000545879426 380100667 /nfs/dbraw/zinc/10/06/67/380100667.db2.gz ICCBZMHZBWMREV-ZWKOTPCHSA-N 1 3 333.432 -0.194 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000551170674 380263846 /nfs/dbraw/zinc/26/38/46/380263846.db2.gz VTYMVVSIEIBVGI-OAHLLOKOSA-N 1 3 341.500 -0.413 20 0 EBADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538404 380423645 /nfs/dbraw/zinc/42/36/45/380423645.db2.gz SRWXIXVPIKXAKO-BMIGLBTASA-N 1 3 337.428 -0.315 20 0 EBADHO CN1CCC(C[NH2+]C[C@@H](O)Cn2cccn2)(N2CCOCC2)CC1 ZINC000567104611 380501410 /nfs/dbraw/zinc/50/14/10/380501410.db2.gz WMRLGULQZBPVFA-MRXNPFEDSA-N 1 3 337.468 -0.370 20 0 EBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154507603 380507948 /nfs/dbraw/zinc/50/79/48/380507948.db2.gz FVFGURMNWAIJCG-CYBMUJFWSA-N 1 3 336.440 -0.064 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479762 380512493 /nfs/dbraw/zinc/51/24/93/380512493.db2.gz NAHSZBXSEJEHBE-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479762 380512498 /nfs/dbraw/zinc/51/24/98/380512498.db2.gz NAHSZBXSEJEHBE-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000567385437 380515880 /nfs/dbraw/zinc/51/58/80/380515880.db2.gz COHDATOKPCZBJA-CHWSQXEVSA-N 1 3 328.457 -0.202 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H](CN)C1 ZINC000569093266 380629905 /nfs/dbraw/zinc/62/99/05/380629905.db2.gz PSRWJQAXPIQGMH-GJZGRUSLSA-N 1 3 337.468 -0.968 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340805280 380637665 /nfs/dbraw/zinc/63/76/65/380637665.db2.gz UTKABLYTPYDACL-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340805280 380637668 /nfs/dbraw/zinc/63/76/68/380637668.db2.gz UTKABLYTPYDACL-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000572712887 380640535 /nfs/dbraw/zinc/64/05/35/380640535.db2.gz JHOGZRJVKYHXIT-GJZGRUSLSA-N 1 3 340.468 -0.247 20 0 EBADHO COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000576242214 380763610 /nfs/dbraw/zinc/76/36/10/380763610.db2.gz RLXIFZPJTDVJDC-KGLIPLIRSA-N 1 3 339.440 -0.949 20 0 EBADHO COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000576242215 380763982 /nfs/dbraw/zinc/76/39/82/380763982.db2.gz RLXIFZPJTDVJDC-UONOGXRCSA-N 1 3 339.440 -0.949 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000574813123 380724338 /nfs/dbraw/zinc/72/43/38/380724338.db2.gz QSPKGJZIHXFYAZ-KBPBESRZSA-N 1 3 340.468 -0.010 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000341721160 380730524 /nfs/dbraw/zinc/73/05/24/380730524.db2.gz JMRGRTAMYOQQTI-CYBMUJFWSA-N 1 3 337.472 -0.494 20 0 EBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000575195939 380734327 /nfs/dbraw/zinc/73/43/27/380734327.db2.gz AIZFTDCGONDNEC-ILXRZTDVSA-N 1 3 338.452 -0.450 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000342009496 380750767 /nfs/dbraw/zinc/75/07/67/380750767.db2.gz BELJOLHCMJCCTF-GJZGRUSLSA-N 1 3 340.468 -0.500 20 0 EBADHO C[C@@H]1C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000580639205 380805455 /nfs/dbraw/zinc/80/54/55/380805455.db2.gz BBTLTOSIKGLRPE-RBSFLKMASA-N 1 3 342.484 -0.132 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417429818 380886965 /nfs/dbraw/zinc/88/69/65/380886965.db2.gz NWNYAHGVXACMGU-UONOGXRCSA-N 1 3 325.457 -0.034 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339280 380923656 /nfs/dbraw/zinc/92/36/56/380923656.db2.gz BVNSIERJASNMSA-HUUCEWRRSA-N 1 3 346.435 -0.485 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670122 380945399 /nfs/dbraw/zinc/94/53/99/380945399.db2.gz ZFJJJMMDQWFADE-CVEARBPZSA-N 1 3 328.416 -0.241 20 0 EBADHO COCCCN(C)CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417745773 380988396 /nfs/dbraw/zinc/98/83/96/380988396.db2.gz FLVQBSGGTDGAGG-OAHLLOKOSA-N 1 3 327.473 -0.356 20 0 EBADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579497427 380994477 /nfs/dbraw/zinc/99/44/77/380994477.db2.gz DTBZHFSBVKANAG-MCIONIFRSA-N 1 3 339.440 -0.949 20 0 EBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579497427 380994483 /nfs/dbraw/zinc/99/44/83/380994483.db2.gz DTBZHFSBVKANAG-MCIONIFRSA-N 1 3 339.440 -0.949 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000582542532 381050119 /nfs/dbraw/zinc/05/01/19/381050119.db2.gz ZKZQSFGQQQMTQP-MRXNPFEDSA-N 1 3 345.484 -0.604 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[C@H]1[NH3+] ZINC000583746993 381133334 /nfs/dbraw/zinc/13/33/34/381133334.db2.gz JRRJSQRPQFYMPG-ZIAGYGMSSA-N 1 3 327.473 -0.866 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418756465 381260442 /nfs/dbraw/zinc/26/04/42/381260442.db2.gz GZUVVKBIZILHBQ-CABCVRRESA-N 1 3 327.473 -0.358 20 0 EBADHO O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757157 381260876 /nfs/dbraw/zinc/26/08/76/381260876.db2.gz DJWRYHHSRWMPEL-ZACQAIPSSA-N 1 3 348.447 -0.091 20 0 EBADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000347440276 381220147 /nfs/dbraw/zinc/22/01/47/381220147.db2.gz ZFZXYAMSFHUEDI-HOTGVXAUSA-N 1 3 342.484 -0.022 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000418511828 381244313 /nfs/dbraw/zinc/24/43/13/381244313.db2.gz RYCACMNBVWXJCE-UHFFFAOYSA-N 1 3 343.472 -0.582 20 0 EBADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418851064 381305094 /nfs/dbraw/zinc/30/50/94/381305094.db2.gz OXHFJKSJVZJCOA-JKSUJKDBSA-N 1 3 348.447 -0.620 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418883656 381330157 /nfs/dbraw/zinc/33/01/57/381330157.db2.gz VNYRSVUKGKHELI-LSDHHAIUSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418883653 381330502 /nfs/dbraw/zinc/33/05/02/381330502.db2.gz VNYRSVUKGKHELI-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419028048 381355455 /nfs/dbraw/zinc/35/54/55/381355455.db2.gz PTILXXJGEKKOHI-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419028048 381355460 /nfs/dbraw/zinc/35/54/60/381355460.db2.gz PTILXXJGEKKOHI-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419027246 381355817 /nfs/dbraw/zinc/35/58/17/381355817.db2.gz OFNGZTNUEVNVQW-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419032784 381357970 /nfs/dbraw/zinc/35/79/70/381357970.db2.gz XFFWBDWBZIMLHE-UONOGXRCSA-N 1 3 340.468 -0.201 20 0 EBADHO NCCN(CCO)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419274986 381406174 /nfs/dbraw/zinc/40/61/74/381406174.db2.gz YJYAEMFVSVBOPY-UHFFFAOYSA-N 1 3 348.447 -0.322 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419125287 381384093 /nfs/dbraw/zinc/38/40/93/381384093.db2.gz SXHNRKGBFKZTSQ-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419167601 381391223 /nfs/dbraw/zinc/39/12/23/381391223.db2.gz IZWYSYRFQUDFRG-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419167601 381391234 /nfs/dbraw/zinc/39/12/34/381391234.db2.gz IZWYSYRFQUDFRG-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168986 381391838 /nfs/dbraw/zinc/39/18/38/381391838.db2.gz TWNDQKKYVQTNKP-MRXNPFEDSA-N 1 3 348.447 -0.189 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419144509 381395042 /nfs/dbraw/zinc/39/50/42/381395042.db2.gz FKLCKFGBUXAPJV-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)C(C)(C)C ZINC000419140283 381395769 /nfs/dbraw/zinc/39/57/69/381395769.db2.gz VPNGAZMFKXHCAR-CHWSQXEVSA-N 1 3 328.457 -0.426 20 0 EBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419488049 381445494 /nfs/dbraw/zinc/44/54/94/381445494.db2.gz ZVUNUZTVOXUBRK-GASCZTMLSA-N 1 3 342.484 -0.360 20 0 EBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419488049 381445495 /nfs/dbraw/zinc/44/54/95/381445495.db2.gz ZVUNUZTVOXUBRK-GASCZTMLSA-N 1 3 342.484 -0.360 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419337995 381420325 /nfs/dbraw/zinc/42/03/25/381420325.db2.gz RPXJSAWBESYYCL-OXHZDVMGSA-N 1 3 338.452 -0.186 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)CCSC1 ZINC000419581155 381459337 /nfs/dbraw/zinc/45/93/37/381459337.db2.gz IWXWPNRXRFIJEW-OAHLLOKOSA-N 1 3 328.482 -0.202 20 0 EBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419579395 381459964 /nfs/dbraw/zinc/45/99/64/381459964.db2.gz HFKDLFDMSIHAHA-WFASDCNBSA-N 1 3 328.482 -0.250 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633700 381469953 /nfs/dbraw/zinc/46/99/53/381469953.db2.gz ZJDJIBQYUXOFAQ-SGMGOOAPSA-N 1 3 338.452 -0.018 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000419633700 381469961 /nfs/dbraw/zinc/46/99/61/381469961.db2.gz ZJDJIBQYUXOFAQ-SGMGOOAPSA-N 1 3 338.452 -0.018 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419891151 381519409 /nfs/dbraw/zinc/51/94/09/381519409.db2.gz UCICUOHVLAHIKU-OAHLLOKOSA-N 1 3 337.468 -0.905 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419770604 381489121 /nfs/dbraw/zinc/48/91/21/381489121.db2.gz FUOQIPXGEILAEV-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419782513 381493626 /nfs/dbraw/zinc/49/36/26/381493626.db2.gz UIWUWBJXLOUCKW-STQMWFEESA-N 1 3 326.441 -0.591 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419781559 381494961 /nfs/dbraw/zinc/49/49/61/381494961.db2.gz SRBBNAVEGWZTIY-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419782052 381495089 /nfs/dbraw/zinc/49/50/89/381495089.db2.gz STERVWBTAZPBJB-CHWSQXEVSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(C)C[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157764 381550472 /nfs/dbraw/zinc/55/04/72/381550472.db2.gz GQOSPAKIJSMQKV-UONOGXRCSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420181790 381562377 /nfs/dbraw/zinc/56/23/77/381562377.db2.gz INLLOPSJUNLUIJ-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420183470 381564157 /nfs/dbraw/zinc/56/41/57/381564157.db2.gz MHZOLTOAUJNUNS-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000420185311 381564207 /nfs/dbraw/zinc/56/42/07/381564207.db2.gz PCWBURGVNZWSNR-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420202059 381569498 /nfs/dbraw/zinc/56/94/98/381569498.db2.gz PBDXXWJRWJYOGL-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420202059 381569504 /nfs/dbraw/zinc/56/95/04/381569504.db2.gz PBDXXWJRWJYOGL-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000571744967 381617802 /nfs/dbraw/zinc/61/78/02/381617802.db2.gz BEMQGNSGVMDKKV-CVEARBPZSA-N 1 3 339.484 -0.214 20 0 EBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000572234645 381651763 /nfs/dbraw/zinc/65/17/63/381651763.db2.gz URAIEYBTVKZTFM-UONOGXRCSA-N 1 3 325.457 -0.970 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000627457921 381801589 /nfs/dbraw/zinc/80/15/89/381801589.db2.gz NYTOUTGMYBYTFK-QLFBSQMISA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612874218 381875299 /nfs/dbraw/zinc/87/52/99/381875299.db2.gz CEUSGMAXZYVRSC-CJNGLKHVSA-N 1 3 325.457 -0.020 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)CNC(=O)[C@H](N)C(C)C)CC1 ZINC000352087559 381870482 /nfs/dbraw/zinc/87/04/82/381870482.db2.gz PGVQQYITFDJANK-OAHLLOKOSA-N 1 3 328.457 -0.297 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000643498773 381905231 /nfs/dbraw/zinc/90/52/31/381905231.db2.gz TWIIUUOCZDSWCZ-SOUVJXGZSA-N 1 3 338.452 -0.352 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643500357 381906629 /nfs/dbraw/zinc/90/66/29/381906629.db2.gz IRUQDBOZHSQERS-ZIAGYGMSSA-N 1 3 326.441 -0.496 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643500354 381906924 /nfs/dbraw/zinc/90/69/24/381906924.db2.gz IRUQDBOZHSQERS-KBPBESRZSA-N 1 3 326.441 -0.496 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000627464413 381906945 /nfs/dbraw/zinc/90/69/45/381906945.db2.gz AQVXGVZLTCYCBS-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000627464762 381908718 /nfs/dbraw/zinc/90/87/18/381908718.db2.gz MLQYSRKGEBMJAW-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333468134 381923872 /nfs/dbraw/zinc/92/38/72/381923872.db2.gz DASRQGOJKNFXBZ-HZPDHXFCSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333468134 381923879 /nfs/dbraw/zinc/92/38/79/381923879.db2.gz DASRQGOJKNFXBZ-HZPDHXFCSA-N 1 3 339.484 -0.214 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000626931030 381958158 /nfs/dbraw/zinc/95/81/58/381958158.db2.gz PKPNZZKZKBKJDZ-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000333729022 381952106 /nfs/dbraw/zinc/95/21/06/381952106.db2.gz VVFBYYFGQZAWAE-OAHLLOKOSA-N 1 3 335.452 -0.146 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000450833221 382211956 /nfs/dbraw/zinc/21/19/56/382211956.db2.gz XTUDGGPQMFWEJR-YHWZYXNKSA-N 1 3 335.456 -0.601 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000450833221 382211965 /nfs/dbraw/zinc/21/19/65/382211965.db2.gz XTUDGGPQMFWEJR-YHWZYXNKSA-N 1 3 335.456 -0.601 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000328991556 155201078 /nfs/dbraw/zinc/20/10/78/155201078.db2.gz DHGFGONVBDEERM-CVEARBPZSA-N 1 3 349.479 -0.859 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000328991556 155201083 /nfs/dbraw/zinc/20/10/83/155201083.db2.gz DHGFGONVBDEERM-CVEARBPZSA-N 1 3 349.479 -0.859 20 0 EBADHO CN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[C@H]2C1 ZINC000329196533 155209788 /nfs/dbraw/zinc/20/97/88/155209788.db2.gz TUPBITXLAYXVRC-QLFBSQMISA-N 1 3 338.452 -0.672 20 0 EBADHO CN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[C@@H]2C1 ZINC000329196534 155210892 /nfs/dbraw/zinc/21/08/92/155210892.db2.gz TUPBITXLAYXVRC-RBSFLKMASA-N 1 3 338.452 -0.672 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000172723323 154098778 /nfs/dbraw/zinc/09/87/78/154098778.db2.gz GAVGLMFKNRKOJU-ZDUSSCGKSA-N 1 3 336.440 -0.207 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)cn1 ZINC000237171068 154170967 /nfs/dbraw/zinc/17/09/67/154170967.db2.gz CELPZCWFRXTOPF-MRXNPFEDSA-N 1 3 336.440 -0.111 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000237171272 154171532 /nfs/dbraw/zinc/17/15/32/154171532.db2.gz HRSBXKKULWTIGW-AWEZNQCLSA-N 1 3 348.451 -0.111 20 0 EBADHO COCCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000345521867 156341222 /nfs/dbraw/zinc/34/12/22/156341222.db2.gz LWNVETDYJZGMRF-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO CC(C)N1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1=O ZINC000356626530 157081851 /nfs/dbraw/zinc/08/18/51/157081851.db2.gz GWKVKUNHCRRLCX-INIZCTEOSA-N 1 3 326.485 -0.025 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)CC1 ZINC000356925612 157103832 /nfs/dbraw/zinc/10/38/32/157103832.db2.gz URVLMCBVAVGYSH-HZPDHXFCSA-N 1 3 326.485 -0.073 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000356925620 157104649 /nfs/dbraw/zinc/10/46/49/157104649.db2.gz URVLMCBVAVGYSH-JKSUJKDBSA-N 1 3 326.485 -0.073 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357579524 157157019 /nfs/dbraw/zinc/15/70/19/157157019.db2.gz PDHVGXAOXAPJKF-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357579524 157157022 /nfs/dbraw/zinc/15/70/22/157157022.db2.gz PDHVGXAOXAPJKF-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(CCCNC(=O)CN1CCC2(C1)CC[NH2+]CC2)S(C)(=O)=O ZINC000358498511 157248553 /nfs/dbraw/zinc/24/85/53/157248553.db2.gz CNRSSRWUZWPTKT-UHFFFAOYSA-N 1 3 346.497 -0.540 20 0 EBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@@H](C)C1 ZINC000360273647 157369921 /nfs/dbraw/zinc/36/99/21/157369921.db2.gz TZWMCCARYGOMER-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@@H](C)C1 ZINC000360273647 157369922 /nfs/dbraw/zinc/36/99/22/157369922.db2.gz TZWMCCARYGOMER-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000360272567 157370135 /nfs/dbraw/zinc/37/01/35/157370135.db2.gz OHOSNNWXWQZJIU-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000360272567 157370139 /nfs/dbraw/zinc/37/01/39/157370139.db2.gz OHOSNNWXWQZJIU-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000360279746 157371792 /nfs/dbraw/zinc/37/17/92/157371792.db2.gz QAPADSMSHBUKEI-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000360287082 157373947 /nfs/dbraw/zinc/37/39/47/157373947.db2.gz SDLQLIGSVUDGOY-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000360287082 157373952 /nfs/dbraw/zinc/37/39/52/157373952.db2.gz SDLQLIGSVUDGOY-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419199609 418963965 /nfs/dbraw/zinc/96/39/65/418963965.db2.gz DUOQDCJVPQMONJ-UHFFFAOYSA-N 1 3 336.436 -0.079 20 0 EBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000410505320 419034834 /nfs/dbraw/zinc/03/48/34/419034834.db2.gz UXYSLRWDMHJPPK-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000410505320 419034838 /nfs/dbraw/zinc/03/48/38/419034838.db2.gz UXYSLRWDMHJPPK-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000653122095 418990834 /nfs/dbraw/zinc/99/08/34/418990834.db2.gz LJZPYDHTLJSITC-CYBMUJFWSA-N 1 3 336.440 -0.111 20 0 EBADHO CN(CCC[NH+](C)C)CCNC(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000662857506 419004089 /nfs/dbraw/zinc/00/40/89/419004089.db2.gz NEMHQWYVHRBGMY-UHFFFAOYSA-N 1 3 348.513 -0.847 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000647597089 419121882 /nfs/dbraw/zinc/12/18/82/419121882.db2.gz LLJCRJXPBSXSDP-RRFJBIMHSA-N 1 3 339.484 -0.533 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653261682 419056255 /nfs/dbraw/zinc/05/62/55/419056255.db2.gz VZJGKIQIRPWHTP-NHIYQJMISA-N 1 3 340.468 -0.027 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000652623400 419242021 /nfs/dbraw/zinc/24/20/21/419242021.db2.gz HYIYIIPDCAMJQS-OCCSQVGLSA-N 1 3 336.440 -0.031 20 0 EBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000652705990 419301398 /nfs/dbraw/zinc/30/13/98/419301398.db2.gz SKHBDGKWHOHOQX-AWEZNQCLSA-N 1 3 327.473 -0.818 20 0 EBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000652705990 419301399 /nfs/dbraw/zinc/30/13/99/419301399.db2.gz SKHBDGKWHOHOQX-AWEZNQCLSA-N 1 3 327.473 -0.818 20 0 EBADHO COC(=O)CC[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000342767027 419398548 /nfs/dbraw/zinc/39/85/48/419398548.db2.gz ZUUMBJCZLVDQDO-QWHCGFSZSA-N 1 3 342.440 -0.674 20 0 EBADHO C[NH+](C)CCOCCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415950671 419421717 /nfs/dbraw/zinc/42/17/17/419421717.db2.gz IDLSSHFRXHRXPE-UHFFFAOYSA-N 1 3 337.428 -0.414 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1O ZINC000647995755 419458181 /nfs/dbraw/zinc/45/81/81/419458181.db2.gz ZNLQRWOZOYFCEM-BPUTZDHNSA-N 1 3 340.468 -0.196 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1CO ZINC000514585369 419640417 /nfs/dbraw/zinc/64/04/17/419640417.db2.gz ACQYBCAPOFLHIJ-KGLIPLIRSA-N 1 3 328.457 -0.975 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422355453 419885564 /nfs/dbraw/zinc/88/55/64/419885564.db2.gz WAHCKZUDLAZCEZ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422355453 419885570 /nfs/dbraw/zinc/88/55/70/419885570.db2.gz WAHCKZUDLAZCEZ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C[C@@H]1CN(CC2CC[NH2+]CC2)CCO1)c1nccn(C)c1=O ZINC000261831455 419862788 /nfs/dbraw/zinc/86/27/88/419862788.db2.gz JBDKSGWRPVVZQO-OAHLLOKOSA-N 1 3 335.452 -0.083 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423261974 419926959 /nfs/dbraw/zinc/92/69/59/419926959.db2.gz LFUUYSWJXIURST-CQSZACIVSA-N 1 3 328.457 -0.390 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000659318590 420530500 /nfs/dbraw/zinc/53/05/00/420530500.db2.gz OUQNUXZAFGNHFM-QGZVFWFLSA-N 1 3 340.468 -0.423 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002951 420530991 /nfs/dbraw/zinc/53/09/91/420530991.db2.gz KXTZDQZWRYJFFJ-LSDHHAIUSA-N 1 3 337.468 -0.907 20 0 EBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCNCc1cccnc1 ZINC000646615270 420676970 /nfs/dbraw/zinc/67/69/70/420676970.db2.gz HVKIZZXLTMLQLI-OAHLLOKOSA-N 1 3 333.436 -0.064 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000540922321 420788198 /nfs/dbraw/zinc/78/81/98/420788198.db2.gz AFTOQZSTFFSMGR-UHFFFAOYSA-N 1 3 334.424 -0.552 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CNCCC2(F)F)C1 ZINC000649313290 420797927 /nfs/dbraw/zinc/79/79/27/420797927.db2.gz YPVLJSVEAILJOE-VXGBXAGGSA-N 1 3 332.395 -0.065 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CNCCC2(F)F)C1 ZINC000649313290 420797929 /nfs/dbraw/zinc/79/79/29/420797929.db2.gz YPVLJSVEAILJOE-VXGBXAGGSA-N 1 3 332.395 -0.065 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654733581 420836502 /nfs/dbraw/zinc/83/65/02/420836502.db2.gz ZDLNBUUJDFTPOB-UHFFFAOYSA-N 1 3 332.412 -0.377 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656025305 420867091 /nfs/dbraw/zinc/86/70/91/420867091.db2.gz GQTWCVMXLJSUIE-KKUMJFAQSA-N 1 3 338.452 -0.386 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCSC1 ZINC000656298598 420888079 /nfs/dbraw/zinc/88/80/79/420888079.db2.gz ISGJWKMDZOQWLV-ZENOOKHLSA-N 1 3 342.509 -0.004 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](O)C1CC1 ZINC000659318538 420995580 /nfs/dbraw/zinc/99/55/80/420995580.db2.gz LMTXEYWPGUERRD-AWEZNQCLSA-N 1 3 328.457 -0.833 20 0 EBADHO COC[C@]1(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)CCC[NH2+]1 ZINC000659542470 421003932 /nfs/dbraw/zinc/00/39/32/421003932.db2.gz PTTKTWINTFTYJK-MRXNPFEDSA-N 1 3 343.472 -0.584 20 0 EBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659675935 421012784 /nfs/dbraw/zinc/01/27/84/421012784.db2.gz UHRJGNIZHJCBOA-SNVBAGLBSA-N 1 3 338.412 -0.896 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)CCO1 ZINC000659716758 421019425 /nfs/dbraw/zinc/01/94/25/421019425.db2.gz CKWPXZXFXHINEE-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659722331 421022052 /nfs/dbraw/zinc/02/20/52/421022052.db2.gz DMXGTXROTGOSMW-CHWSQXEVSA-N 1 3 326.441 -0.530 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730500 421024576 /nfs/dbraw/zinc/02/45/76/421024576.db2.gz XLJMCSWKCKMYRE-HIFRSBDPSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659730500 421024579 /nfs/dbraw/zinc/02/45/79/421024579.db2.gz XLJMCSWKCKMYRE-HIFRSBDPSA-N 1 3 338.452 -0.386 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662939284 421112259 /nfs/dbraw/zinc/11/22/59/421112259.db2.gz UCMLPJDFLLNHKB-UHFFFAOYSA-N 1 3 335.408 -0.454 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446800772 421209804 /nfs/dbraw/zinc/20/98/04/421209804.db2.gz FFNVKZBSOWQLRW-GXTWGEPZSA-N 1 3 348.451 -0.018 20 0 EBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420051065 264917317 /nfs/dbraw/zinc/91/73/17/264917317.db2.gz ZXCVDZSWKRULLB-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000423393591 265002863 /nfs/dbraw/zinc/00/28/63/265002863.db2.gz YVUQHLHHTKAAHD-ZDUSSCGKSA-N 1 3 347.419 -0.441 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2CN)C1 ZINC000423680753 265031968 /nfs/dbraw/zinc/03/19/68/265031968.db2.gz UUNLMYMKFPEZQG-ILXRZTDVSA-N 1 3 340.468 -0.106 20 0 EBADHO CN(C)CCN(C)C(=O)[C@H]1CC[C@H](C(=O)N(C)CC[NH+](C)C)O1 ZINC000427245027 265103552 /nfs/dbraw/zinc/10/35/52/265103552.db2.gz YKSNMDYQDUIYPH-ZIAGYGMSSA-N 1 3 328.457 -0.426 20 0 EBADHO C[NH2+]CC1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000430931312 265157203 /nfs/dbraw/zinc/15/72/03/265157203.db2.gz ZHYWQFPWOPJIOD-UHFFFAOYSA-N 1 3 348.451 -0.245 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)CCCO1 ZINC000433459348 265190493 /nfs/dbraw/zinc/19/04/93/265190493.db2.gz XNMKPZOUVGXZAT-ZBFHGGJFSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)CCCO1 ZINC000433459348 265190494 /nfs/dbraw/zinc/19/04/94/265190494.db2.gz XNMKPZOUVGXZAT-ZBFHGGJFSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@H]1C[C@H](C[NH3+])CN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442782483 265329938 /nfs/dbraw/zinc/32/99/38/265329938.db2.gz RLFCMXNZFKZPBZ-NWDGAFQWSA-N 1 3 334.424 -0.507 20 0 EBADHO CN(C)CCOCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000447592672 265375856 /nfs/dbraw/zinc/37/58/56/265375856.db2.gz MZRRTEKEZMGEBL-UHFFFAOYSA-N 1 3 328.501 -0.049 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](C3CCC3)CC2)n1 ZINC000450876068 265399120 /nfs/dbraw/zinc/39/91/20/265399120.db2.gz ITPPHICTPOSEFY-UHFFFAOYSA-N 1 3 349.483 -0.209 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339637401 289141331 /nfs/dbraw/zinc/14/13/31/289141331.db2.gz ZUAOIYORDXLBHB-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000668658496 545728124 /nfs/dbraw/zinc/72/81/24/545728124.db2.gz NVBHHUXHAYMHOR-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673218876 546135270 /nfs/dbraw/zinc/13/52/70/546135270.db2.gz IEIHJUMPHFPUSR-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCSC1 ZINC000673496878 546140842 /nfs/dbraw/zinc/14/08/42/546140842.db2.gz FWQTZHBYEXTJAH-ZDUSSCGKSA-N 1 3 330.498 -0.193 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892563549 582582577 /nfs/dbraw/zinc/58/25/77/582582577.db2.gz YIZWRNPRDAUHSF-OKILXGFUSA-N 1 3 325.457 -0.081 20 0 EBADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115872 582721059 /nfs/dbraw/zinc/72/10/59/582721059.db2.gz WQLUMCGPJNCNNN-INIZCTEOSA-N 1 3 336.480 -0.271 20 0 EBADHO C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903496881 582809795 /nfs/dbraw/zinc/80/97/95/582809795.db2.gz IPTMDIZUBZVDOP-CHWSQXEVSA-N 1 3 334.486 -0.699 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903741553 582816783 /nfs/dbraw/zinc/81/67/83/582816783.db2.gz GOPTWKFFWUVZDZ-AWEZNQCLSA-N 1 3 339.484 -0.722 20 0 EBADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903741555 582816788 /nfs/dbraw/zinc/81/67/88/582816788.db2.gz GPZRDHYDCDLSCS-AWEZNQCLSA-N 1 3 340.468 -0.249 20 0 EBADHO COC(=O)CN(C)C(=O)CCN1CC[NH2+]CCC12CCOCC2 ZINC000903818846 582821826 /nfs/dbraw/zinc/82/18/26/582821826.db2.gz WVKUZQVTUSWTLL-UHFFFAOYSA-N 1 3 327.425 -0.148 20 0 EBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793797167 583570023 /nfs/dbraw/zinc/57/00/23/583570023.db2.gz YSHQCGHIOVIWPC-RRFJBIMHSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@]1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCC[NH2+]C1 ZINC000842163958 584058734 /nfs/dbraw/zinc/05/87/34/584058734.db2.gz CRXMIPTXOXYTBX-VBQJREDUSA-N 1 3 338.452 -0.528 20 0 EBADHO CCCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000842165366 584058926 /nfs/dbraw/zinc/05/89/26/584058926.db2.gz VHRSCBZLOFXWMT-RBSFLKMASA-N 1 3 338.452 -0.434 20 0 EBADHO [NH3+]CCCCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000843259190 584074250 /nfs/dbraw/zinc/07/42/50/584074250.db2.gz LNVGOMVISUWMAW-KBPBESRZSA-N 1 3 326.441 -0.399 20 0 EBADHO C[C@@H](O)c1cn(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1 ZINC000855345988 584257830 /nfs/dbraw/zinc/25/78/30/584257830.db2.gz LXMIGOHNIHBGQO-QWHCGFSZSA-N 1 3 326.445 -0.280 20 0 EBADHO C[C@@H](O)c1cn(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1 ZINC000855345988 584257833 /nfs/dbraw/zinc/25/78/33/584257833.db2.gz LXMIGOHNIHBGQO-QWHCGFSZSA-N 1 3 326.445 -0.280 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861773272 584338463 /nfs/dbraw/zinc/33/84/63/584338463.db2.gz KNDHMKHTMUIENZ-KBPBESRZSA-N 1 3 327.473 -0.818 20 0 EBADHO CNC(=O)NC(=O)CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549789 584372842 /nfs/dbraw/zinc/37/28/42/584372842.db2.gz REKDCBCFWRLGFL-NEPJUHHUSA-N 1 3 339.396 -0.911 20 0 EBADHO CC1(OCC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CNC1 ZINC000872254376 584460655 /nfs/dbraw/zinc/46/06/55/584460655.db2.gz BAHACYVDADUEOQ-OLZOCXBDSA-N 1 3 338.408 -0.852 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000875292585 584496528 /nfs/dbraw/zinc/49/65/28/584496528.db2.gz MDFTVRLCKRPBIO-JKSUJKDBSA-N 1 3 340.468 -0.004 20 0 EBADHO COCCC1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[NH2+]CC1 ZINC000877267844 584531168 /nfs/dbraw/zinc/53/11/68/584531168.db2.gz HCVZTTZVZLNXMU-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO COC(=O)[C@]12CN(CC(=O)NC3CC[NH+](C)CC3)C[C@H]1COCC2 ZINC000878541516 584541797 /nfs/dbraw/zinc/54/17/97/584541797.db2.gz QNGYEQZQJDFJFD-SUMWQHHRSA-N 1 3 339.436 -0.292 20 0 EBADHO O=C(c1ccnc(N2CCNCC2)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285503 584620790 /nfs/dbraw/zinc/62/07/90/584620790.db2.gz LYPCHGOKBKDTOW-INIZCTEOSA-N 1 3 344.463 -0.389 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884587919 584628946 /nfs/dbraw/zinc/62/89/46/584628946.db2.gz UHVOFOYFBSCOBF-CQSZACIVSA-N 1 3 328.457 -0.199 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884587918 584629025 /nfs/dbraw/zinc/62/90/25/584629025.db2.gz UHVOFOYFBSCOBF-AWEZNQCLSA-N 1 3 328.457 -0.199 20 0 EBADHO CCN(CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000884601151 584629180 /nfs/dbraw/zinc/62/91/80/584629180.db2.gz CHVGNXQRMKZFHL-LLVKDONJSA-N 1 3 332.395 -0.052 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCSC1 ZINC000884612647 584629840 /nfs/dbraw/zinc/62/98/40/584629840.db2.gz QOFLETHSAMIAEW-WWGRRREGSA-N 1 3 340.493 -0.107 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884812438 584638312 /nfs/dbraw/zinc/63/83/12/584638312.db2.gz PZQWRGVVTPSJNF-CQSZACIVSA-N 1 3 349.435 -0.529 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000887091197 584676440 /nfs/dbraw/zinc/67/64/40/584676440.db2.gz DATGSYBNMAAQJY-KFWWJZLASA-N 1 3 343.431 -0.204 20 0 EBADHO COCCN(C)C[C@@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451419 584678271 /nfs/dbraw/zinc/67/82/71/584678271.db2.gz MVCKSSKGFWNXHY-DZGCQCFKSA-N 1 3 326.445 -0.860 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)CN(C)C(C)C ZINC000888041320 584684415 /nfs/dbraw/zinc/68/44/15/584684415.db2.gz CXXZFYFORHBKOG-OKILXGFUSA-N 1 3 328.457 -0.333 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000888041320 584684416 /nfs/dbraw/zinc/68/44/16/584684416.db2.gz CXXZFYFORHBKOG-OKILXGFUSA-N 1 3 328.457 -0.333 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000888041320 584684418 /nfs/dbraw/zinc/68/44/18/584684418.db2.gz CXXZFYFORHBKOG-OKILXGFUSA-N 1 3 328.457 -0.333 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000888041320 584684421 /nfs/dbraw/zinc/68/44/21/584684421.db2.gz CXXZFYFORHBKOG-OKILXGFUSA-N 1 3 328.457 -0.333 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000888041320 584684422 /nfs/dbraw/zinc/68/44/22/584684422.db2.gz CXXZFYFORHBKOG-OKILXGFUSA-N 1 3 328.457 -0.333 20 0 EBADHO O=C(CNC[C@H]1CCCO1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106842 649985873 /nfs/dbraw/zinc/98/58/73/649985873.db2.gz VITLOQFUNCGQGM-VXGBXAGGSA-N 1 3 338.374 -0.293 20 0 EBADHO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCNC[C@@H]2COC)CC1 ZINC000905021457 650061150 /nfs/dbraw/zinc/06/11/50/650061150.db2.gz LKFDZUTUYJCCGF-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO O[C@H](CN[C@H]1CCCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000905446315 650063379 /nfs/dbraw/zinc/06/33/79/650063379.db2.gz GETAOBHPYVUUQT-ZWKOTPCHSA-N 1 3 340.512 -0.171 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000911095539 650150496 /nfs/dbraw/zinc/15/04/96/650150496.db2.gz BYLOQUYXJLZXQI-KGLIPLIRSA-N 1 3 339.484 -0.900 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000911147797 650154423 /nfs/dbraw/zinc/15/44/23/650154423.db2.gz JOCAAHGOTCOHFO-KBPBESRZSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149586 650154780 /nfs/dbraw/zinc/15/47/80/650154780.db2.gz YAWHPWMEPZXEBU-GBJTYRQASA-N 1 3 336.436 -0.966 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[C@@H]1C[NH3+] ZINC000911148895 650154847 /nfs/dbraw/zinc/15/48/47/650154847.db2.gz SOUAKTLUZCIIAX-APIJFGDWSA-N 1 3 338.452 -0.591 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911174294 650157101 /nfs/dbraw/zinc/15/71/01/650157101.db2.gz CQICKRUNRBDARW-CJNGLKHVSA-N 1 3 326.441 -0.589 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911177470 650157135 /nfs/dbraw/zinc/15/71/35/650157135.db2.gz SENOBURFJJRFKO-YOEHRIQHSA-N 1 3 340.468 -0.199 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911187918 650157879 /nfs/dbraw/zinc/15/78/79/650157879.db2.gz VPIUHKUZTOHCNO-AWEZNQCLSA-N 1 3 339.484 -0.756 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201010 650158994 /nfs/dbraw/zinc/15/89/94/650158994.db2.gz VCERFFAEQZZFQV-IAQYHMDHSA-N 1 3 328.482 -0.346 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298187 650167660 /nfs/dbraw/zinc/16/76/60/650167660.db2.gz SPBHAUWFWCNCMT-APNQJHFZSA-N 1 3 338.452 -0.374 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911298187 650167662 /nfs/dbraw/zinc/16/76/62/650167662.db2.gz SPBHAUWFWCNCMT-APNQJHFZSA-N 1 3 338.452 -0.374 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911369773 650175659 /nfs/dbraw/zinc/17/56/59/650175659.db2.gz CIHJNNXYJQHZAM-CHWSQXEVSA-N 1 3 347.419 -0.537 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486176 650188033 /nfs/dbraw/zinc/18/80/33/650188033.db2.gz QBLLHISFNSYCPD-ILXRZTDVSA-N 1 3 340.468 -0.201 20 0 EBADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(CC3CC3)CC1)C2=O ZINC000917479011 650283405 /nfs/dbraw/zinc/28/34/05/650283405.db2.gz BFIYTNJZHHQOMM-UHFFFAOYSA-N 1 3 335.452 -0.012 20 0 EBADHO CN(C[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375784 650338899 /nfs/dbraw/zinc/33/88/99/650338899.db2.gz FCURJYISKJWJLE-KGLIPLIRSA-N 1 3 331.482 -0.032 20 0 EBADHO [NH3+][C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1c1ccccc1F ZINC000923649488 650350588 /nfs/dbraw/zinc/35/05/88/650350588.db2.gz VAQBWUKAZMCTDI-GXTWGEPZSA-N 1 3 328.413 -0.298 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926335305 650387037 /nfs/dbraw/zinc/38/70/37/650387037.db2.gz XLXNTMSLDNKQKG-KGLIPLIRSA-N 1 3 328.457 -0.534 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926388760 650390775 /nfs/dbraw/zinc/39/07/75/650390775.db2.gz IPCUGJZPRUWZOI-INIZCTEOSA-N 1 3 326.441 -0.757 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631540 651504771 /nfs/dbraw/zinc/50/47/71/651504771.db2.gz UILOFKNEBRYMCT-CABCVRRESA-N 1 3 326.441 -0.395 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927631540 651504776 /nfs/dbraw/zinc/50/47/76/651504776.db2.gz UILOFKNEBRYMCT-CABCVRRESA-N 1 3 326.441 -0.395 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C[NH+](C)C ZINC000929991783 651574828 /nfs/dbraw/zinc/57/48/28/651574828.db2.gz JISZXTRKORZTQH-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(C[C@@H]4CCOC4)C3)CC2)C1 ZINC000941666206 652868435 /nfs/dbraw/zinc/86/84/35/652868435.db2.gz QMKHMSYCAASCAC-JKSUJKDBSA-N 1 3 336.480 -0.197 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(C[C@@H]4CCOC4)C3)CC2)C1 ZINC000941666206 652868440 /nfs/dbraw/zinc/86/84/40/652868440.db2.gz QMKHMSYCAASCAC-JKSUJKDBSA-N 1 3 336.480 -0.197 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000946927483 653274114 /nfs/dbraw/zinc/27/41/14/653274114.db2.gz JGVWEFGVNPIMOU-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO CN1CCC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403099 719424056 /nfs/dbraw/zinc/42/40/56/719424056.db2.gz HNLSWKFJBZTADG-SYQHCUMBSA-N 1 3 337.424 -0.343 20 0 EBADHO Cn1nccc1CCN1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592200 722397517 /nfs/dbraw/zinc/39/75/17/722397517.db2.gz MSPSYSBAUNLGIG-HOCLYGCPSA-N 1 3 347.463 -0.533 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001019033397 728777335 /nfs/dbraw/zinc/77/73/35/728777335.db2.gz MHIVHOODNOGONQ-NWDGAFQWSA-N 1 3 325.413 -0.931 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001019037732 728777601 /nfs/dbraw/zinc/77/76/01/728777601.db2.gz ACRKTOIFCPBXLJ-ZDUSSCGKSA-N 1 3 331.420 -0.035 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001019037732 728777605 /nfs/dbraw/zinc/77/76/05/728777605.db2.gz ACRKTOIFCPBXLJ-ZDUSSCGKSA-N 1 3 331.420 -0.035 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019394868 728878502 /nfs/dbraw/zinc/87/85/02/728878502.db2.gz PBOYCCSNUMTIBW-IHRRRGAJSA-N 1 3 331.482 -0.048 20 0 EBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC000968714860 725108710 /nfs/dbraw/zinc/10/87/10/725108710.db2.gz VLHIUXZRMBWCDJ-FMKPAKJESA-N 1 3 338.452 -0.591 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC000968719331 725109428 /nfs/dbraw/zinc/10/94/28/725109428.db2.gz QSWMHSLUIAKHPD-ZIAGYGMSSA-N 1 3 348.451 -0.473 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC000969077230 725148636 /nfs/dbraw/zinc/14/86/36/725148636.db2.gz MHIVHOODNOGONQ-VXGBXAGGSA-N 1 3 325.413 -0.931 20 0 EBADHO CC1(C)NC(=O)N(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC000970105849 725251290 /nfs/dbraw/zinc/25/12/90/725251290.db2.gz UZKVCKNIBFINBC-LLVKDONJSA-N 1 3 348.407 -0.527 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970178673 725259269 /nfs/dbraw/zinc/25/92/69/725259269.db2.gz XHXOWFBVEYRECJ-ZIAGYGMSSA-N 1 3 336.436 -0.286 20 0 EBADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000991935388 725679631 /nfs/dbraw/zinc/67/96/31/725679631.db2.gz QYKBYCHDSIPVIP-LLQJNDGASA-N 1 3 335.448 -0.045 20 0 EBADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000991935388 725679633 /nfs/dbraw/zinc/67/96/33/725679633.db2.gz QYKBYCHDSIPVIP-LLQJNDGASA-N 1 3 335.448 -0.045 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)C1 ZINC000996801124 726427800 /nfs/dbraw/zinc/42/78/00/726427800.db2.gz DBBQDACGQBVWGZ-GTPINHCMSA-N 1 3 338.496 -0.025 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)C1 ZINC000996801124 726427801 /nfs/dbraw/zinc/42/78/01/726427801.db2.gz DBBQDACGQBVWGZ-GTPINHCMSA-N 1 3 338.496 -0.025 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996822160 726428858 /nfs/dbraw/zinc/42/88/58/726428858.db2.gz JHTFMFSCDOGZQV-ROBSIFSHSA-N 1 3 336.436 -0.696 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996841 726434357 /nfs/dbraw/zinc/43/43/57/726434357.db2.gz ADODNVUPVILVJP-GXTWGEPZSA-N 1 3 336.436 -0.286 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998723897 726496019 /nfs/dbraw/zinc/49/60/19/726496019.db2.gz SMAKOOAHVPTCRL-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346872 726515293 /nfs/dbraw/zinc/51/52/93/726515293.db2.gz GZVRSDHFVUNXNG-OLZOCXBDSA-N 1 3 336.436 -0.144 20 0 EBADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352949 726515702 /nfs/dbraw/zinc/51/57/02/726515702.db2.gz LHENCBFNZYAQGQ-UKRRQHHQSA-N 1 3 338.452 -0.304 20 0 EBADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999352949 726515703 /nfs/dbraw/zinc/51/57/03/726515703.db2.gz LHENCBFNZYAQGQ-UKRRQHHQSA-N 1 3 338.452 -0.304 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000570926 726571340 /nfs/dbraw/zinc/57/13/40/726571340.db2.gz HLPGXDNCLPJCIG-UKRRQHHQSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(N1CCO[C@@H](CN[C@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001051904791 735456296 /nfs/dbraw/zinc/45/62/96/735456296.db2.gz UOVMFGQAXOLHLW-KBPBESRZSA-N 1 3 336.436 -0.822 20 0 EBADHO O=C(N1CCO[C@@H](CN[C@@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001051904795 735456429 /nfs/dbraw/zinc/45/64/29/735456429.db2.gz UOVMFGQAXOLHLW-UONOGXRCSA-N 1 3 336.436 -0.822 20 0 EBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H](NCC(N)=O)C2)CC1 ZINC001018859451 728695831 /nfs/dbraw/zinc/69/58/31/728695831.db2.gz VLHIUXZRMBWCDJ-LZWOXQAQSA-N 1 3 338.452 -0.591 20 0 EBADHO CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1=O ZINC001020406998 729160783 /nfs/dbraw/zinc/16/07/83/729160783.db2.gz JWDXNMGKUCEBCH-NWCRCAFSSA-N 1 3 348.447 -0.683 20 0 EBADHO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1=O ZINC001020406996 729160790 /nfs/dbraw/zinc/16/07/90/729160790.db2.gz JWDXNMGKUCEBCH-DCUDBCFGSA-N 1 3 348.447 -0.683 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588848 729205659 /nfs/dbraw/zinc/20/56/59/729205659.db2.gz OHOOISMYVISCIG-LXTVHRRPSA-N 1 3 343.493 0.000 20 0 EBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001022717039 729524442 /nfs/dbraw/zinc/52/44/42/729524442.db2.gz NHZHMNCGTMWOEX-OKILXGFUSA-N 1 3 337.468 -0.020 20 0 EBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001022717471 729524452 /nfs/dbraw/zinc/52/44/52/729524452.db2.gz XYGBTQOUXPUXBI-XQQFMLRXSA-N 1 3 336.436 -0.240 20 0 EBADHO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001023550836 729721587 /nfs/dbraw/zinc/72/15/87/729721587.db2.gz NTDMSAXQRFBHTQ-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001023550836 729721588 /nfs/dbraw/zinc/72/15/88/729721588.db2.gz NTDMSAXQRFBHTQ-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001023783198 729797330 /nfs/dbraw/zinc/79/73/30/729797330.db2.gz FNJPENABKNMLRJ-BFHYXJOUSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001023783198 729797333 /nfs/dbraw/zinc/79/73/33/729797333.db2.gz FNJPENABKNMLRJ-BFHYXJOUSA-N 1 3 338.452 -0.890 20 0 EBADHO CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908737 730104844 /nfs/dbraw/zinc/10/48/44/730104844.db2.gz WFASTDMUTWAGLB-YEPCUASBSA-N 1 3 335.448 -0.069 20 0 EBADHO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908737 730104847 /nfs/dbraw/zinc/10/48/47/730104847.db2.gz WFASTDMUTWAGLB-YEPCUASBSA-N 1 3 335.448 -0.069 20 0 EBADHO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001025973941 730113959 /nfs/dbraw/zinc/11/39/59/730113959.db2.gz TUEWJSYMANNRCG-SBJFKYEJSA-N 1 3 338.452 -0.724 20 0 EBADHO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001025973941 730113960 /nfs/dbraw/zinc/11/39/60/730113960.db2.gz TUEWJSYMANNRCG-SBJFKYEJSA-N 1 3 338.452 -0.724 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001027217890 730199823 /nfs/dbraw/zinc/19/98/23/730199823.db2.gz RHAGZQDNKIEDFM-GJZGRUSLSA-N 1 3 343.493 -0.045 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681364 730234041 /nfs/dbraw/zinc/23/40/41/730234041.db2.gz VJGXPMBICHDKTA-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681364 730234042 /nfs/dbraw/zinc/23/40/42/730234042.db2.gz VJGXPMBICHDKTA-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681361 730234053 /nfs/dbraw/zinc/23/40/53/730234053.db2.gz VJGXPMBICHDKTA-CABCVRRESA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681361 730234054 /nfs/dbraw/zinc/23/40/54/730234054.db2.gz VJGXPMBICHDKTA-CABCVRRESA-N 1 3 337.468 -0.114 20 0 EBADHO O=C(NC[C@@H]1CCN(CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001028545433 730311549 /nfs/dbraw/zinc/31/15/49/730311549.db2.gz QCAUTXXABWJOCF-GOEBONIOSA-N 1 3 349.479 -0.209 20 0 EBADHO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CN(CCn3cncn3)C2)C1 ZINC001031922494 730792618 /nfs/dbraw/zinc/79/26/18/730792618.db2.gz FEOXFYNUSRRZPY-HNNXBMFYSA-N 1 3 336.440 -0.565 20 0 EBADHO CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CN(CCn3cncn3)C2)C1 ZINC001031922494 730792621 /nfs/dbraw/zinc/79/26/21/730792621.db2.gz FEOXFYNUSRRZPY-HNNXBMFYSA-N 1 3 336.440 -0.565 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001031922494 730792622 /nfs/dbraw/zinc/79/26/22/730792622.db2.gz FEOXFYNUSRRZPY-HNNXBMFYSA-N 1 3 336.440 -0.565 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)n1 ZINC001034940560 731166114 /nfs/dbraw/zinc/16/61/14/731166114.db2.gz VVPRDAGVVTWMLL-ZIAGYGMSSA-N 1 3 348.451 -0.473 20 0 EBADHO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001040200098 731641305 /nfs/dbraw/zinc/64/13/05/731641305.db2.gz DYHWFKJVNCHNFN-CJNGLKHVSA-N 1 3 328.457 -0.642 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040454745 731741067 /nfs/dbraw/zinc/74/10/67/731741067.db2.gz SQIWLLJILFWKQV-INIZCTEOSA-N 1 3 337.424 -0.708 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001040902024 731911601 /nfs/dbraw/zinc/91/16/01/731911601.db2.gz OPQOETOFYVGCOH-WMLDXEAASA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001040902024 731911603 /nfs/dbraw/zinc/91/16/03/731911603.db2.gz OPQOETOFYVGCOH-WMLDXEAASA-N 1 3 342.484 -0.252 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041489342 732139764 /nfs/dbraw/zinc/13/97/64/732139764.db2.gz UEFACJAJTPERAC-CQDXFGNVSA-N 1 3 335.448 -0.234 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041489342 732139766 /nfs/dbraw/zinc/13/97/66/732139766.db2.gz UEFACJAJTPERAC-CQDXFGNVSA-N 1 3 335.448 -0.234 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829641 732234929 /nfs/dbraw/zinc/23/49/29/732234929.db2.gz ABDOIRYQIHAVMY-CRAIPNDOSA-N 1 3 349.479 -0.112 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829641 732234932 /nfs/dbraw/zinc/23/49/32/732234932.db2.gz ABDOIRYQIHAVMY-CRAIPNDOSA-N 1 3 349.479 -0.112 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061605817 738646195 /nfs/dbraw/zinc/64/61/95/738646195.db2.gz ZQHQRGYJCKEZHL-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061605817 738646198 /nfs/dbraw/zinc/64/61/98/738646198.db2.gz ZQHQRGYJCKEZHL-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043430289 732935206 /nfs/dbraw/zinc/93/52/06/732935206.db2.gz JNVMLIDHVIVHSF-ZIAGYGMSSA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043430289 732935209 /nfs/dbraw/zinc/93/52/09/732935209.db2.gz JNVMLIDHVIVHSF-ZIAGYGMSSA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043432215 732936776 /nfs/dbraw/zinc/93/67/76/732936776.db2.gz XFYRLABOECPYNE-UHFFFAOYSA-N 1 3 338.452 -0.888 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001043537804 732999374 /nfs/dbraw/zinc/99/93/74/732999374.db2.gz WXUJOQQAQROBCG-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001043537804 732999376 /nfs/dbraw/zinc/99/93/76/732999376.db2.gz WXUJOQQAQROBCG-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001043676987 733055088 /nfs/dbraw/zinc/05/50/88/733055088.db2.gz CMEJRYLDMXYTJG-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001043676987 733055089 /nfs/dbraw/zinc/05/50/89/733055089.db2.gz CMEJRYLDMXYTJG-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001044042112 733259347 /nfs/dbraw/zinc/25/93/47/733259347.db2.gz WLDLFDFKPMSYDR-AWEZNQCLSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001044298589 733365968 /nfs/dbraw/zinc/36/59/68/733365968.db2.gz OGEHFZRDEDVWNU-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001044298589 733365962 /nfs/dbraw/zinc/36/59/62/733365962.db2.gz OGEHFZRDEDVWNU-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044323926 733383456 /nfs/dbraw/zinc/38/34/56/733383456.db2.gz YLZNIOFFUFSBSC-ZDUSSCGKSA-N 1 3 349.435 -0.708 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044323926 733383460 /nfs/dbraw/zinc/38/34/60/733383460.db2.gz YLZNIOFFUFSBSC-ZDUSSCGKSA-N 1 3 349.435 -0.708 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061739911 738732174 /nfs/dbraw/zinc/73/21/74/738732174.db2.gz FSIIAYXEJUQCNS-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061739911 738732176 /nfs/dbraw/zinc/73/21/76/738732176.db2.gz FSIIAYXEJUQCNS-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061739909 738732188 /nfs/dbraw/zinc/73/21/88/738732188.db2.gz FSIIAYXEJUQCNS-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061739909 738732191 /nfs/dbraw/zinc/73/21/91/738732191.db2.gz FSIIAYXEJUQCNS-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1)N(C)C ZINC001046038323 733823091 /nfs/dbraw/zinc/82/30/91/733823091.db2.gz KLWILTHTIBNCDC-JKSUJKDBSA-N 1 3 326.485 -0.073 20 0 EBADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1)N(C)C ZINC001046038323 733823095 /nfs/dbraw/zinc/82/30/95/733823095.db2.gz KLWILTHTIBNCDC-JKSUJKDBSA-N 1 3 326.485 -0.073 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)C1 ZINC001046064649 733841325 /nfs/dbraw/zinc/84/13/25/733841325.db2.gz QOZCUIRJINDGQO-IAGOWNOFSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)C1 ZINC001046064649 733841330 /nfs/dbraw/zinc/84/13/30/733841330.db2.gz QOZCUIRJINDGQO-IAGOWNOFSA-N 1 3 338.496 -0.071 20 0 EBADHO CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001047323935 734134793 /nfs/dbraw/zinc/13/47/93/734134793.db2.gz BQUBGWDHNWFULO-JYJNAYRXSA-N 1 3 335.452 -0.440 20 0 EBADHO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001047323935 734134795 /nfs/dbraw/zinc/13/47/95/734134795.db2.gz BQUBGWDHNWFULO-JYJNAYRXSA-N 1 3 335.452 -0.440 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862655 738791533 /nfs/dbraw/zinc/79/15/33/738791533.db2.gz WMQQTAHMCBFXIV-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864384 734543828 /nfs/dbraw/zinc/54/38/28/734543828.db2.gz XNDLODNLWXOPQY-QXSJWSMHSA-N 1 3 334.464 -0.053 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864384 734543830 /nfs/dbraw/zinc/54/38/30/734543830.db2.gz XNDLODNLWXOPQY-QXSJWSMHSA-N 1 3 334.464 -0.053 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001049436046 734729989 /nfs/dbraw/zinc/72/99/89/734729989.db2.gz YSNUSQDYRPOCFJ-DZKIICNBSA-N 1 3 342.484 -0.446 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054736069 736237086 /nfs/dbraw/zinc/23/70/86/736237086.db2.gz KXPWJZUZSKEDGY-ZIAGYGMSSA-N 1 3 337.468 -0.068 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738535 737427356 /nfs/dbraw/zinc/42/73/56/737427356.db2.gz AEAODUOVVUWWLV-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738535 737427355 /nfs/dbraw/zinc/42/73/55/737427355.db2.gz AEAODUOVVUWWLV-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057864062 737484777 /nfs/dbraw/zinc/48/47/77/737484777.db2.gz ARVVAKHUTWUVNP-AWEZNQCLSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057864062 737484778 /nfs/dbraw/zinc/48/47/78/737484778.db2.gz ARVVAKHUTWUVNP-AWEZNQCLSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)N(C)C ZINC001057975241 737571916 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EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001058169634 737691446 /nfs/dbraw/zinc/69/14/46/737691446.db2.gz CMNPZOAQUBNXJE-AWEZNQCLSA-N 1 3 344.500 -0.006 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001058250625 737733183 /nfs/dbraw/zinc/73/31/83/737733183.db2.gz AQPRYMIXPHJMIA-HUUCEWRRSA-N 1 3 344.500 -0.150 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001058255069 737736413 /nfs/dbraw/zinc/73/64/13/737736413.db2.gz AYAHWAGHJGMTGO-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CN(CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1CCC1 ZINC001058709199 737960395 /nfs/dbraw/zinc/96/03/95/737960395.db2.gz LAQUOUHWKVGUMK-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058844182 738023827 /nfs/dbraw/zinc/02/38/27/738023827.db2.gz WEFUUUTXBJLPJL-CQSZACIVSA-N 1 3 328.457 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058848296 738030458 /nfs/dbraw/zinc/03/04/58/738030458.db2.gz CPDZQCAKHLINEL-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001058848296 738030461 /nfs/dbraw/zinc/03/04/61/738030461.db2.gz CPDZQCAKHLINEL-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)N(C)C ZINC001065572204 739768757 /nfs/dbraw/zinc/76/87/57/739768757.db2.gz LEYAXYYUFYJNKG-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C)[C@@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CC1 ZINC001065576988 739773284 /nfs/dbraw/zinc/77/32/84/739773284.db2.gz ZEENJIUDFINSIE-GOEBONIOSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065621200 739808871 /nfs/dbraw/zinc/80/88/71/739808871.db2.gz KHXBNSNVMWRJCA-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)COCC[NH+](C)C ZINC001067009035 740082920 /nfs/dbraw/zinc/08/29/20/740082920.db2.gz GTXMIINKRPHZCB-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)CCC1 ZINC001070499267 740850835 /nfs/dbraw/zinc/85/08/35/740850835.db2.gz KQUOZNLJNVERLB-DZGCQCFKSA-N 1 3 335.452 -0.219 20 0 EBADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001070718747 740927396 /nfs/dbraw/zinc/92/73/96/740927396.db2.gz HFBSMTANFFGHHM-RRFJBIMHSA-N 1 3 335.452 -0.219 20 0 EBADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001075887226 742320655 /nfs/dbraw/zinc/32/06/55/742320655.db2.gz BTJRONZIVZIXRK-NWANDNLSSA-N 1 3 348.447 -0.191 20 0 EBADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001075887226 742320659 /nfs/dbraw/zinc/32/06/59/742320659.db2.gz BTJRONZIVZIXRK-NWANDNLSSA-N 1 3 348.447 -0.191 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCCO2)n[nH]1 ZINC001078498131 743679454 /nfs/dbraw/zinc/67/94/54/743679454.db2.gz HEWNCHNUNGRQOD-CQSZACIVSA-N 1 3 348.451 -0.084 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000984802494 807391147 /nfs/dbraw/zinc/39/11/47/807391147.db2.gz BEPJHYXMURASIV-XUXIUFHCSA-N 1 3 336.436 -0.382 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)CN1CCCC1 ZINC000989796082 808597258 /nfs/dbraw/zinc/59/72/58/808597258.db2.gz HEWOFWIREBITAZ-KBPBESRZSA-N 1 3 336.436 -0.190 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001216230225 810363892 /nfs/dbraw/zinc/36/38/92/810363892.db2.gz YHCMDFOUJNQRTN-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001216230225 810363899 /nfs/dbraw/zinc/36/38/99/810363899.db2.gz YHCMDFOUJNQRTN-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO CCCNC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401897 810371489 /nfs/dbraw/zinc/37/14/89/810371489.db2.gz QJEUWGNOBOPPGT-ZIAGYGMSSA-N 1 3 328.457 -0.473 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCCC1 ZINC001216402320 810372949 /nfs/dbraw/zinc/37/29/49/810372949.db2.gz ZICONNFOWAYTLR-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754007 810386027 /nfs/dbraw/zinc/38/60/27/810386027.db2.gz DFVSPPBCMZZXAU-QLFBSQMISA-N 1 3 340.468 -0.473 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754007 810386031 /nfs/dbraw/zinc/38/60/31/810386031.db2.gz DFVSPPBCMZZXAU-QLFBSQMISA-N 1 3 340.468 -0.473 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001218112392 810477364 /nfs/dbraw/zinc/47/73/64/810477364.db2.gz OPTOSJOJAWCUOH-OPRDCNLKSA-N 1 3 336.392 -0.110 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218319739 810486134 /nfs/dbraw/zinc/48/61/34/810486134.db2.gz ZGHUTCTXHDCYEB-BDAKNGLRSA-N 1 3 342.371 -0.161 20 0 EBADHO N=c1scc(N)n1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218540403 810499309 /nfs/dbraw/zinc/49/93/09/810499309.db2.gz DPGITGDSMDBGPE-UWVGGRQHSA-N 1 3 340.453 -0.301 20 0 EBADHO COc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(C(N)=O)cc1OC ZINC001218968600 810549112 /nfs/dbraw/zinc/54/91/12/810549112.db2.gz IPYRXSZRIHALHB-SNVBAGLBSA-N 1 3 334.376 -0.450 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001015655552 810555928 /nfs/dbraw/zinc/55/59/28/810555928.db2.gz SCXQHSQUVMDTEA-JKSUJKDBSA-N 1 3 335.452 -0.224 20 0 EBADHO O=C(N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000440 810649176 /nfs/dbraw/zinc/64/91/76/810649176.db2.gz BMJNKAAVDAHVHH-LSDHHAIUSA-N 1 3 333.436 -0.470 20 0 EBADHO COc1cc2c(cc1NC(=O)[C@H](CN)OC)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504184 810726178 /nfs/dbraw/zinc/72/61/78/810726178.db2.gz QNJYQKJKNMGMPA-XJKSGUPXSA-N 1 3 334.376 -0.209 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714012 810805001 /nfs/dbraw/zinc/80/50/01/810805001.db2.gz DEMYIJCASVTXPO-YYHQMBLXSA-N 1 3 346.497 -0.953 20 0 EBADHO C[S@@](=O)CC[C@H](N)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788981 810840538 /nfs/dbraw/zinc/84/05/38/810840538.db2.gz ULYFVTOXRZKMAG-UZRORNOBSA-N 1 3 326.466 -0.190 20 0 EBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219848093 810878015 /nfs/dbraw/zinc/87/80/15/810878015.db2.gz WOAUOYMGWQJAMW-XDQVBPFNSA-N 1 3 346.435 -0.835 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929343 810912393 /nfs/dbraw/zinc/91/23/93/810912393.db2.gz KEOGGKDCLRANBR-AWEZNQCLSA-N 1 3 348.451 -0.059 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccncn1 ZINC001220005002 810943613 /nfs/dbraw/zinc/94/36/13/810943613.db2.gz MXBHQZDJHYXXJA-KBPBESRZSA-N 1 3 334.424 -0.460 20 0 EBADHO O=C(NCCC1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220141039 810999254 /nfs/dbraw/zinc/99/92/54/810999254.db2.gz FICIGWAMJPWLFT-UKRRQHHQSA-N 1 3 329.466 -0.483 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036208746 811120037 /nfs/dbraw/zinc/12/00/37/811120037.db2.gz XEJNSNDIHBQKSD-OCCSQVGLSA-N 1 3 334.424 -0.196 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036208742 811120166 /nfs/dbraw/zinc/12/01/66/811120166.db2.gz XEJNSNDIHBQKSD-JSGCOSHPSA-N 1 3 334.424 -0.196 20 0 EBADHO CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F ZINC001220517230 811134696 /nfs/dbraw/zinc/13/46/96/811134696.db2.gz BGXQGUSSGKCHGZ-JTQLQIEISA-N 1 3 341.378 -0.831 20 0 EBADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220565904 811158509 /nfs/dbraw/zinc/15/85/09/811158509.db2.gz USDXDOANCHQGQC-UONOGXRCSA-N 1 3 332.404 -0.519 20 0 EBADHO C[S@@](=O)CC[C@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651943 811189817 /nfs/dbraw/zinc/18/98/17/811189817.db2.gz RZJREIZPSWRJCV-LFVRLGFBSA-N 1 3 338.477 -0.192 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220652082 811190149 /nfs/dbraw/zinc/19/01/49/811190149.db2.gz ULIGPPATZFIJKM-STQMWFEESA-N 1 3 333.436 -0.436 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220688982 811204187 /nfs/dbraw/zinc/20/41/87/811204187.db2.gz YNVXYRINXCKLKI-KFWWJZLASA-N 1 3 340.468 -0.594 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220688982 811204193 /nfs/dbraw/zinc/20/41/93/811204193.db2.gz YNVXYRINXCKLKI-KFWWJZLASA-N 1 3 340.468 -0.594 20 0 EBADHO O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220727461 811220647 /nfs/dbraw/zinc/22/06/47/811220647.db2.gz GYOFLXNIXSDMQD-DZKIICNBSA-N 1 3 328.416 -0.069 20 0 EBADHO O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220736998 811223770 /nfs/dbraw/zinc/22/37/70/811223770.db2.gz YWYZZYKDSKOQCY-HOTGVXAUSA-N 1 3 330.432 -0.183 20 0 EBADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3CCS(=O)(=O)C34CNC4)(C1)CCC2 ZINC001220777229 811237455 /nfs/dbraw/zinc/23/74/55/811237455.db2.gz JFSCXSXQBQSHTP-KWCYVHTRSA-N 1 3 327.450 -0.317 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786026 811241133 /nfs/dbraw/zinc/24/11/33/811241133.db2.gz KMWUCVRTCDDNEZ-MELADBBJSA-N 1 3 334.424 -0.376 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805484 811248504 /nfs/dbraw/zinc/24/85/04/811248504.db2.gz SEBNNOFPHRQOAM-VLEAKVRGSA-N 1 3 336.358 -0.019 20 0 EBADHO O=C(CNC(=O)[C@H]1C[NH2+]C[C@@H]1O)N1CCN(C2CCCCC2)CC1 ZINC001220901406 811288845 /nfs/dbraw/zinc/28/88/45/811288845.db2.gz YNCJBVCESFLCEY-GJZGRUSLSA-N 1 3 338.452 -0.840 20 0 EBADHO O=C(NC1CN(c2ncnc3ccccc32)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220985323 811324973 /nfs/dbraw/zinc/32/49/73/811324973.db2.gz RBDMQVUSOIIDFK-CQSZACIVSA-N 1 3 338.415 -0.256 20 0 EBADHO COC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1CC1 ZINC001221012759 811344548 /nfs/dbraw/zinc/34/45/48/811344548.db2.gz AWBVHGRUOUXHMA-ZNMIVQPWSA-N 1 3 340.468 -0.025 20 0 EBADHO O=C(NCc1cn(Cc2ccncc2)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221025660 811351502 /nfs/dbraw/zinc/35/15/02/811351502.db2.gz BOCOEBILFBPKHH-HNNXBMFYSA-N 1 3 326.404 -0.248 20 0 EBADHO C[S@@](=O)CC[C@H](N)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114038 811382875 /nfs/dbraw/zinc/38/28/75/811382875.db2.gz KTAKTIUWCFBXQO-ZAMGYDSWSA-N 1 3 338.477 -0.085 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244213 811424650 /nfs/dbraw/zinc/42/46/50/811424650.db2.gz RUMODGJQBZIURU-FQUUOJAGSA-N 1 3 344.431 -0.323 20 0 EBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)CC2)NC1 ZINC001221391327 811448807 /nfs/dbraw/zinc/44/88/07/811448807.db2.gz LNTTZVWVCTWFJH-HNNXBMFYSA-N 1 3 331.420 -0.967 20 0 EBADHO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391185 811449130 /nfs/dbraw/zinc/44/91/30/811449130.db2.gz CNQVCGHNOWQORV-HOCLYGCPSA-N 1 3 334.420 -0.294 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397829 811450892 /nfs/dbraw/zinc/45/08/92/811450892.db2.gz OARVAFFFOCASRW-AWEZNQCLSA-N 1 3 340.449 -0.963 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223430655 811705237 /nfs/dbraw/zinc/70/52/37/811705237.db2.gz OFZNEHVYIKUXIU-CABCVRRESA-N 1 3 337.468 -0.114 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001228661419 811992788 /nfs/dbraw/zinc/99/27/88/811992788.db2.gz SRNJFADJGJLJCM-UTUOFQBUSA-N 1 3 327.429 -0.462 20 0 EBADHO COC[C@H](C)OC[C@@H](O)CN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999749 812008368 /nfs/dbraw/zinc/00/83/68/812008368.db2.gz VGRKJBAXBCRCST-HOCLYGCPSA-N 1 3 345.484 -0.069 20 0 EBADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710592 812050298 /nfs/dbraw/zinc/05/02/98/812050298.db2.gz QQKNVSLSUMCDSW-HUUCEWRRSA-N 1 3 338.456 -0.090 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001229745776 812054035 /nfs/dbraw/zinc/05/40/35/812054035.db2.gz BCZOJRMRJDRUAN-MCIONIFRSA-N 1 3 348.513 -0.107 20 0 EBADHO C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001080989437 812427656 /nfs/dbraw/zinc/42/76/56/812427656.db2.gz WVDMGMIHKSDSIF-UHFFFAOYSA-N 1 3 337.424 -0.626 20 0 EBADHO Cc1nc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cn1C ZINC001238243955 812525579 /nfs/dbraw/zinc/52/55/79/812525579.db2.gz XAJDUPFTXYMJOG-LBPRGKRZSA-N 1 3 327.454 -0.119 20 0 EBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001246005066 812558197 /nfs/dbraw/zinc/55/81/97/812558197.db2.gz CWYKRPOYZHIJSF-BDAKNGLRSA-N 1 3 333.326 -0.163 20 0 EBADHO NC(=O)[C@H](CC(=O)OCc1ccccc1)N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246237531 812569801 /nfs/dbraw/zinc/56/98/01/812569801.db2.gz HOUILLULSHNKET-CABCVRRESA-N 1 3 346.431 -0.343 20 0 EBADHO CS(=O)(=O)N(Cc1ncn2c1CNCCC2)C1CC[NH2+]CC1 ZINC001246699685 812582131 /nfs/dbraw/zinc/58/21/31/812582131.db2.gz ZZTDULSGDULZGD-UHFFFAOYSA-N 1 3 327.454 -0.110 20 0 EBADHO CCOC(=O)[C@H]1CN([C@@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009129 812596173 /nfs/dbraw/zinc/59/61/73/812596173.db2.gz OKVBOZCVTCIRHU-MCIONIFRSA-N 1 3 339.436 -0.245 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001264436761 813176636 /nfs/dbraw/zinc/17/66/36/813176636.db2.gz HVWFFSVTLAIGLN-MGPQQGTHSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)N(C)C ZINC001265454649 813326828 /nfs/dbraw/zinc/32/68/28/813326828.db2.gz YBOHAJBJHBUKQF-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCCNS(C)(=O)=O)C2)CC1 ZINC001265928875 813417746 /nfs/dbraw/zinc/41/77/46/813417746.db2.gz UUENHJFRTNCBLI-ZDUSSCGKSA-N 1 3 332.470 -0.932 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001265990125 813435105 /nfs/dbraw/zinc/43/51/05/813435105.db2.gz NMHHZNLNBFELJA-QWHCGFSZSA-N 1 3 339.440 -0.684 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081733123 813488630 /nfs/dbraw/zinc/48/86/30/813488630.db2.gz PICBLOUVCJFBMI-ZIAGYGMSSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081736655 813494564 /nfs/dbraw/zinc/49/45/64/813494564.db2.gz YQUCNMFPJOIGDQ-ZIAGYGMSSA-N 1 3 328.457 -0.786 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001081775068 813544961 /nfs/dbraw/zinc/54/49/61/813544961.db2.gz WVPPSIOGAAWKMT-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081775068 813544966 /nfs/dbraw/zinc/54/49/66/813544966.db2.gz WVPPSIOGAAWKMT-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266730960 813653683 /nfs/dbraw/zinc/65/36/83/813653683.db2.gz MDVNTWPTXQINTK-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266730960 813653687 /nfs/dbraw/zinc/65/36/87/813653687.db2.gz MDVNTWPTXQINTK-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001266877344 813689748 /nfs/dbraw/zinc/68/97/48/813689748.db2.gz DCCDSEXOUDVKQU-KBPBESRZSA-N 1 3 348.513 -0.154 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001267001832 813728152 /nfs/dbraw/zinc/72/81/52/813728152.db2.gz BJYDQVHTEXMZOZ-ZIAGYGMSSA-N 1 3 328.457 -0.737 20 0 EBADHO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001082057841 813743277 /nfs/dbraw/zinc/74/32/77/813743277.db2.gz GCHZXOCBGKEMOE-RBSFLKMASA-N 1 3 329.441 -0.443 20 0 EBADHO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001082057841 813743279 /nfs/dbraw/zinc/74/32/79/813743279.db2.gz GCHZXOCBGKEMOE-RBSFLKMASA-N 1 3 329.441 -0.443 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001267046438 813744870 /nfs/dbraw/zinc/74/48/70/813744870.db2.gz DGGMUSVCQAPUDX-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082829032 814013567 /nfs/dbraw/zinc/01/35/67/814013567.db2.gz YYSQNQBLKCHDMH-YRGRVCCFSA-N 1 3 326.441 -0.593 20 0 EBADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820207 814048721 /nfs/dbraw/zinc/04/87/21/814048721.db2.gz OMQMIFYOHGYHDW-ZIAGYGMSSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268087056 814121671 /nfs/dbraw/zinc/12/16/71/814121671.db2.gz PEOOQPPEGNVRGU-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO CCN(CC)CC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001269186623 814572462 /nfs/dbraw/zinc/57/24/62/814572462.db2.gz MJOFFHLUGYKDIH-UHFFFAOYSA-N 1 3 326.441 -0.670 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001269970372 815653579 /nfs/dbraw/zinc/65/35/79/815653579.db2.gz CJIBERSTAHILJT-RYUDHWBXSA-N 1 3 343.453 -0.530 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084054034 815798887 /nfs/dbraw/zinc/79/88/87/815798887.db2.gz UCPGIOQEUGHBPO-XHSDSOJGSA-N 1 3 325.453 -0.084 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084054034 815798894 /nfs/dbraw/zinc/79/88/94/815798894.db2.gz UCPGIOQEUGHBPO-XHSDSOJGSA-N 1 3 325.453 -0.084 20 0 EBADHO O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086432566 816332826 /nfs/dbraw/zinc/33/28/26/816332826.db2.gz YTCDLSGPKLKELD-IVZCFAJBSA-N 1 3 348.447 -0.778 20 0 EBADHO CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001272273536 816379976 /nfs/dbraw/zinc/37/99/76/816379976.db2.gz PNBRBMFXXHRRPE-BQFCYCMXSA-N 1 3 338.496 -0.073 20 0 EBADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)CN1C)C2 ZINC001272273536 816379960 /nfs/dbraw/zinc/37/99/60/816379960.db2.gz PNBRBMFXXHRRPE-BQFCYCMXSA-N 1 3 338.496 -0.073 20 0 EBADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)CN1C)C2 ZINC001272273536 816379968 /nfs/dbraw/zinc/37/99/68/816379968.db2.gz PNBRBMFXXHRRPE-BQFCYCMXSA-N 1 3 338.496 -0.073 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001272294787 816389236 /nfs/dbraw/zinc/38/92/36/816389236.db2.gz CYPDCQVXIMIBLG-UONOGXRCSA-N 1 3 328.457 -0.737 20 0 EBADHO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086762966 816400413 /nfs/dbraw/zinc/40/04/13/816400413.db2.gz KOFSOTWEQMROJJ-WJCMVAOVSA-N 1 3 336.436 -0.791 20 0 EBADHO NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086762967 816400636 /nfs/dbraw/zinc/40/06/36/816400636.db2.gz KOFSOTWEQMROJJ-WTMDZQPDSA-N 1 3 336.436 -0.791 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)C1CC1 ZINC001086982548 816433543 /nfs/dbraw/zinc/43/35/43/816433543.db2.gz PQOLPKHUSDHTFI-XHSDSOJGSA-N 1 3 335.452 -0.363 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNCCS(C)(=O)=O)C1)[NH+](C)C ZINC001273275285 816627716 /nfs/dbraw/zinc/62/77/16/816627716.db2.gz CAYVKVIOQZLKHH-KGLIPLIRSA-N 1 3 349.497 -0.566 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273709901 816738028 /nfs/dbraw/zinc/73/80/28/816738028.db2.gz BTTZBLJSTGYLET-OAHLLOKOSA-N 1 3 340.468 -0.375 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273709901 816738036 /nfs/dbraw/zinc/73/80/36/816738036.db2.gz BTTZBLJSTGYLET-OAHLLOKOSA-N 1 3 340.468 -0.375 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034454 816844846 /nfs/dbraw/zinc/84/48/46/816844846.db2.gz FJJYUYDAWVXQSL-NEFWEQRUSA-N 1 3 339.440 -0.567 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274034454 816844852 /nfs/dbraw/zinc/84/48/52/816844852.db2.gz FJJYUYDAWVXQSL-NEFWEQRUSA-N 1 3 339.440 -0.567 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001274278411 816918147 /nfs/dbraw/zinc/91/81/47/816918147.db2.gz AFFOISLIUGBVMV-QWHCGFSZSA-N 1 3 334.486 -0.686 20 0 EBADHO CN(C)C(=O)CN1C[C@H]2C(=O)NC3(CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001275136926 817155431 /nfs/dbraw/zinc/15/54/31/817155431.db2.gz GBPCLLURCMPIFF-HUUCEWRRSA-N 1 3 334.464 -0.003 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537371 817519673 /nfs/dbraw/zinc/51/96/73/817519673.db2.gz KBOKHLYAXXXNOP-IRXDYDNUSA-N 1 3 349.479 -0.144 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)N(C)C ZINC001277094394 817520478 /nfs/dbraw/zinc/52/04/78/817520478.db2.gz UFDGOBGKPUXTPU-LLVKDONJSA-N 1 3 325.413 -0.883 20 0 EBADHO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(C[C@H]4CCOC4)C[C@H]23)CC1 ZINC001277289960 817544190 /nfs/dbraw/zinc/54/41/90/817544190.db2.gz WPXLBEYSPCDAOC-VHDGCEQUSA-N 1 3 336.436 -0.080 20 0 EBADHO COCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001277823638 817641388 /nfs/dbraw/zinc/64/13/88/817641388.db2.gz NNZIEUCGQXMDHI-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729803 817704965 /nfs/dbraw/zinc/70/49/65/817704965.db2.gz AFKLFVKDWGLYJR-HZPDHXFCSA-N 1 3 347.463 -0.390 20 0 EBADHO CN1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)C1 ZINC001278145302 817708811 /nfs/dbraw/zinc/70/88/11/817708811.db2.gz BALRHYZIXLPDGG-SQWLQELKSA-N 1 3 343.493 -0.189 20 0 EBADHO CN1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)C1 ZINC001278145302 817708817 /nfs/dbraw/zinc/70/88/17/817708817.db2.gz BALRHYZIXLPDGG-SQWLQELKSA-N 1 3 343.493 -0.189 20 0 EBADHO O=C(NC[C@H](CO)NCCO[C@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178160 817718787 /nfs/dbraw/zinc/71/87/87/817718787.db2.gz CJHCMTIESLXCEY-NEPJUHHUSA-N 1 3 333.379 -0.427 20 0 EBADHO C[C@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416515 817758173 /nfs/dbraw/zinc/75/81/73/817758173.db2.gz NOFNRQCUCGLXRZ-QWHCGFSZSA-N 1 3 344.481 -0.790 20 0 EBADHO CN(CCOCCNCC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001279458070 817935776 /nfs/dbraw/zinc/93/57/76/817935776.db2.gz WPXRDUGFBSBMOM-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(CCOCCNCC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001279458070 817935779 /nfs/dbraw/zinc/93/57/79/817935779.db2.gz WPXRDUGFBSBMOM-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001279886025 818000791 /nfs/dbraw/zinc/00/07/91/818000791.db2.gz GDBAOGLKABKCBJ-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001283912775 819027058 /nfs/dbraw/zinc/02/70/58/819027058.db2.gz DRPYYQMSEWJVIW-WCQYABFASA-N 1 3 348.407 -0.527 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](CCO)CCCO)CC2)C1 ZINC001098477707 819208657 /nfs/dbraw/zinc/20/86/57/819208657.db2.gz FYSUEEZTHGSVHN-HNNXBMFYSA-N 1 3 327.469 -0.004 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](CCO)CCCO)CC2)C1 ZINC001098477707 819208661 /nfs/dbraw/zinc/20/86/61/819208661.db2.gz FYSUEEZTHGSVHN-HNNXBMFYSA-N 1 3 327.469 -0.004 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([N@H+](CCO)CCn2cncn2)CC1 ZINC001098488206 819213359 /nfs/dbraw/zinc/21/33/59/819213359.db2.gz LMVMXUWAZLMAKU-UHFFFAOYSA-N 1 3 347.423 -0.471 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([N@@H+](CCO)CCn2cncn2)CC1 ZINC001098488206 819213367 /nfs/dbraw/zinc/21/33/67/819213367.db2.gz LMVMXUWAZLMAKU-UHFFFAOYSA-N 1 3 347.423 -0.471 20 0 EBADHO CN(CCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899574 819870493 /nfs/dbraw/zinc/87/04/93/819870493.db2.gz VNISVXFIZVBRGG-HOTGVXAUSA-N 1 3 336.436 -0.158 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975002 819979420 /nfs/dbraw/zinc/97/94/20/819979420.db2.gz XLJSVEPEFPJVQZ-HOTGVXAUSA-N 1 3 337.468 -0.144 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001100050590 820125268 /nfs/dbraw/zinc/12/52/68/820125268.db2.gz KRRREVHAKGCYLZ-CABCVRRESA-N 1 3 329.441 -0.969 20 0 EBADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001100408173 820406987 /nfs/dbraw/zinc/40/69/87/820406987.db2.gz XHAPAWIYGZAENJ-QEIKUCIBSA-N 1 3 325.413 -0.994 20 0 EBADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001100408172 820407067 /nfs/dbraw/zinc/40/70/67/820407067.db2.gz XHAPAWIYGZAENJ-OCTTZUBCSA-N 1 3 325.413 -0.994 20 0 EBADHO C[C@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001100411557 820408585 /nfs/dbraw/zinc/40/85/85/820408585.db2.gz GEMCUHKJQNSGKF-UNXYVOJBSA-N 1 3 339.440 -0.462 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678718 820508415 /nfs/dbraw/zinc/50/84/15/820508415.db2.gz VAQXXKZDDSCXEA-PNESKVBLSA-N 1 3 339.440 -0.732 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683693 820511510 /nfs/dbraw/zinc/51/15/10/820511510.db2.gz NQUSTWPQQHAXHD-BPCQOVAHSA-N 1 3 341.456 -0.343 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100770570 820546623 /nfs/dbraw/zinc/54/66/23/820546623.db2.gz JCKLGGYBYDNUET-UHFFFAOYSA-N 1 3 334.486 -0.638 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100769356 820547134 /nfs/dbraw/zinc/54/71/34/820547134.db2.gz GGKPUGLVFRZBAG-UHFFFAOYSA-N 1 3 327.429 -0.732 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NCCOCC)C1 ZINC001100900258 820594574 /nfs/dbraw/zinc/59/45/74/820594574.db2.gz XVOQOBRFFNICTQ-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039290 820661500 /nfs/dbraw/zinc/66/15/00/820661500.db2.gz DXKVBJYPZJIXSB-UHFFFAOYSA-N 1 3 342.484 -0.036 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039697 820661609 /nfs/dbraw/zinc/66/16/09/820661609.db2.gz YVCLXKWYBKLLKB-UHFFFAOYSA-N 1 3 341.456 -0.343 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102496478 821126528 /nfs/dbraw/zinc/12/65/28/821126528.db2.gz XHLJBEXLNNYVHS-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102496478 821126536 /nfs/dbraw/zinc/12/65/36/821126536.db2.gz XHLJBEXLNNYVHS-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102497331 821127314 /nfs/dbraw/zinc/12/73/14/821127314.db2.gz NEEWLHPXPWIYPO-FRRDWIJNSA-N 1 3 341.456 -0.404 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102497331 821127319 /nfs/dbraw/zinc/12/73/19/821127319.db2.gz NEEWLHPXPWIYPO-FRRDWIJNSA-N 1 3 341.456 -0.404 20 0 EBADHO CCOCC[NH+]1CCN(CCCNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001316956428 821935237 /nfs/dbraw/zinc/93/52/37/821935237.db2.gz CRJCTLCUIXPANH-MRXNPFEDSA-N 1 3 342.484 -0.523 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317113368 822007382 /nfs/dbraw/zinc/00/73/82/822007382.db2.gz MOLLYOZVVVCJLV-BETUJISGSA-N 1 3 346.497 -0.353 20 0 EBADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244196 822044997 /nfs/dbraw/zinc/04/49/97/822044997.db2.gz HAWIEXZSRJFOTQ-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCNS(C)(=O)=O ZINC001317243084 822045188 /nfs/dbraw/zinc/04/51/88/822045188.db2.gz UQXDTJVXBCYGCG-ZDUSSCGKSA-N 1 3 348.513 -0.106 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001317625774 822183001 /nfs/dbraw/zinc/18/30/01/822183001.db2.gz JFABWHTWEUEURM-HUUCEWRRSA-N 1 3 340.468 -0.471 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001317625774 822183003 /nfs/dbraw/zinc/18/30/03/822183003.db2.gz JFABWHTWEUEURM-HUUCEWRRSA-N 1 3 340.468 -0.471 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC(N)=O ZINC001106455334 822272704 /nfs/dbraw/zinc/27/27/04/822272704.db2.gz NNRSKOSULOZNEL-TUFIUFKWSA-N 1 3 336.436 -0.981 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106673127 822309760 /nfs/dbraw/zinc/30/97/60/822309760.db2.gz CXOFSJWPSWTHDX-MCIONIFRSA-N 1 3 348.513 -0.440 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106783363 822330375 /nfs/dbraw/zinc/33/03/75/822330375.db2.gz OHEWRNMFJXLQLW-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106908013 822351360 /nfs/dbraw/zinc/35/13/60/822351360.db2.gz LZDHSAQXHUOJRZ-FRRDWIJNSA-N 1 3 341.456 -0.404 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001128533855 828471324 /nfs/dbraw/zinc/47/13/24/828471324.db2.gz RYFFIHXXPUQKHK-GFCCVEGCSA-N 1 3 340.465 -0.737 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCCCOC ZINC001128774062 828524745 /nfs/dbraw/zinc/52/47/45/828524745.db2.gz KBOSVPVVXAXYOK-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCCCOC ZINC001128774062 828524753 /nfs/dbraw/zinc/52/47/53/828524753.db2.gz KBOSVPVVXAXYOK-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NCC ZINC001128773755 828524832 /nfs/dbraw/zinc/52/48/32/828524832.db2.gz CYCFNSNWGGQDCN-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NCC ZINC001128773755 828524836 /nfs/dbraw/zinc/52/48/36/828524836.db2.gz CYCFNSNWGGQDCN-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO COCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220212 828582447 /nfs/dbraw/zinc/58/24/47/828582447.db2.gz RDLNLGDWHGZJAN-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329639 828597821 /nfs/dbraw/zinc/59/78/21/828597821.db2.gz YZYQGQUZNADBSW-AWEZNQCLSA-N 1 3 348.513 -0.391 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329639 828597828 /nfs/dbraw/zinc/59/78/28/828597828.db2.gz YZYQGQUZNADBSW-AWEZNQCLSA-N 1 3 348.513 -0.391 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129340644 828600829 /nfs/dbraw/zinc/60/08/29/828600829.db2.gz OILBBIGPUMJHOF-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129340644 828600834 /nfs/dbraw/zinc/60/08/34/828600834.db2.gz OILBBIGPUMJHOF-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129364329 828605936 /nfs/dbraw/zinc/60/59/36/828605936.db2.gz SKHINNLIFWOBJE-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129454244 828622797 /nfs/dbraw/zinc/62/27/97/828622797.db2.gz IBYUABHLYVENDH-CQSZACIVSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001129423541 828617379 /nfs/dbraw/zinc/61/73/79/828617379.db2.gz URPHCKPKBCTBJB-VXGBXAGGSA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001129423541 828617387 /nfs/dbraw/zinc/61/73/87/828617387.db2.gz URPHCKPKBCTBJB-VXGBXAGGSA-N 1 3 327.429 -0.462 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)C1CC1 ZINC001129449625 828621666 /nfs/dbraw/zinc/62/16/66/828621666.db2.gz QQRODBUOBGVCFG-GOEBONIOSA-N 1 3 343.468 -0.411 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)C1CCC1 ZINC001129535573 828632179 /nfs/dbraw/zinc/63/21/79/828632179.db2.gz XGPRHJLJGXATPW-HNNXBMFYSA-N 1 3 343.468 -0.267 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532141 828630667 /nfs/dbraw/zinc/63/06/67/828630667.db2.gz SBHMTHVAAGTYHA-HIFRSBDPSA-N 1 3 331.457 -0.411 20 0 EBADHO CS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769108 824433802 /nfs/dbraw/zinc/43/38/02/824433802.db2.gz LNAFDTMDBFMNGQ-SCRDCRAPSA-N 1 3 340.449 -0.034 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129840825 828680039 /nfs/dbraw/zinc/68/00/39/828680039.db2.gz KELZJONPAWLMQG-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129840825 828680042 /nfs/dbraw/zinc/68/00/42/828680042.db2.gz KELZJONPAWLMQG-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009439 828713958 /nfs/dbraw/zinc/71/39/58/828713958.db2.gz OVKRCFQZCUCLFZ-ILXRZTDVSA-N 1 3 338.456 -0.004 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130096655 828732283 /nfs/dbraw/zinc/73/22/83/828732283.db2.gz OOLCALHARUTINQ-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130096655 828732286 /nfs/dbraw/zinc/73/22/86/828732286.db2.gz OOLCALHARUTINQ-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419116 828827713 /nfs/dbraw/zinc/82/77/13/828827713.db2.gz LVIZAMJSTSXNAG-LLVKDONJSA-N 1 3 329.445 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419116 828827723 /nfs/dbraw/zinc/82/77/23/828827723.db2.gz LVIZAMJSTSXNAG-LLVKDONJSA-N 1 3 329.445 -0.343 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NCCCOC ZINC001130421920 828828144 /nfs/dbraw/zinc/82/81/44/828828144.db2.gz ORQIIBGAEMWIQO-ZDUSSCGKSA-N 1 3 330.473 -0.036 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NCCCOC ZINC001130421920 828828152 /nfs/dbraw/zinc/82/81/52/828828152.db2.gz ORQIIBGAEMWIQO-ZDUSSCGKSA-N 1 3 330.473 -0.036 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C ZINC001179765834 833008760 /nfs/dbraw/zinc/00/87/60/833008760.db2.gz CKAGEDVRPMLRNK-KBPBESRZSA-N 1 3 348.513 -0.154 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179763320 833008889 /nfs/dbraw/zinc/00/88/89/833008889.db2.gz HBOJGXYQINCYSG-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983060 833031246 /nfs/dbraw/zinc/03/12/46/833031246.db2.gz KGJOUNWAEHKKNS-SRVKXCTJSA-N 1 3 327.429 -0.509 20 0 EBADHO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663291 826315007 /nfs/dbraw/zinc/31/50/07/826315007.db2.gz SNLYSDYGZZOLOL-KBXIAJHMSA-N 1 3 325.453 -0.086 20 0 EBADHO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663291 826315014 /nfs/dbraw/zinc/31/50/14/826315014.db2.gz SNLYSDYGZZOLOL-KBXIAJHMSA-N 1 3 325.453 -0.086 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001114746707 826332274 /nfs/dbraw/zinc/33/22/74/826332274.db2.gz XYFBFJUKHPTDBM-KZVDOYCCSA-N 1 3 334.420 -0.820 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115300320 826502659 /nfs/dbraw/zinc/50/26/59/826502659.db2.gz PPAICBNEZRZFMC-QXSJWSMHSA-N 1 3 325.453 -0.084 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115300320 826502663 /nfs/dbraw/zinc/50/26/63/826502663.db2.gz PPAICBNEZRZFMC-QXSJWSMHSA-N 1 3 325.453 -0.084 20 0 EBADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001180369754 833077908 /nfs/dbraw/zinc/07/79/08/833077908.db2.gz VPEFEBJJASFPEP-UHFFFAOYSA-N 1 3 329.445 -0.212 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001181651297 833170632 /nfs/dbraw/zinc/17/06/32/833170632.db2.gz AKOICZJVZVVFGP-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652095 833170787 /nfs/dbraw/zinc/17/07/87/833170787.db2.gz ISQMFSITIUSEDZ-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181673194 833172945 /nfs/dbraw/zinc/17/29/45/833172945.db2.gz FTDHJAKXEBTNAD-CHWSQXEVSA-N 1 3 332.470 -0.790 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182965486 833271160 /nfs/dbraw/zinc/27/11/60/833271160.db2.gz ZXLYNHFKKQRUOR-GHMZBOCLSA-N 1 3 331.392 -0.948 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866622 827969506 /nfs/dbraw/zinc/96/95/06/827969506.db2.gz HHNOJKSGTSNQPN-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866623 827969837 /nfs/dbraw/zinc/96/98/37/827969837.db2.gz HHNOJKSGTSNQPN-UONOGXRCSA-N 1 3 328.457 -0.282 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183230257 833284050 /nfs/dbraw/zinc/28/40/50/833284050.db2.gz WNCSGWKLMKFFJI-CABCVRRESA-N 1 3 343.468 -0.315 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288284 833285650 /nfs/dbraw/zinc/28/56/50/833285650.db2.gz BXYLNJTUGUQRSA-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001183760388 833305149 /nfs/dbraw/zinc/30/51/49/833305149.db2.gz XHINXTRABVSRKC-CABCVRRESA-N 1 3 345.484 -0.069 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475296 828297426 /nfs/dbraw/zinc/29/74/26/828297426.db2.gz SQBYWUMTNMZHHQ-WCQYABFASA-N 1 3 339.440 -0.732 20 0 EBADHO C[C@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC1CC1 ZINC001127562355 828303442 /nfs/dbraw/zinc/30/34/42/828303442.db2.gz IGRZXEARQJZNQA-LBPRGKRZSA-N 1 3 336.440 -0.569 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659446 828312110 /nfs/dbraw/zinc/31/21/10/828312110.db2.gz AWQOCZYGIAFLFD-RRFJBIMHSA-N 1 3 342.484 -0.036 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659446 828312115 /nfs/dbraw/zinc/31/21/15/828312115.db2.gz AWQOCZYGIAFLFD-RRFJBIMHSA-N 1 3 342.484 -0.036 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659538 828312231 /nfs/dbraw/zinc/31/22/31/828312231.db2.gz FDOOFVVTVCQVEG-JHJVBQTASA-N 1 3 341.456 -0.345 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659538 828312240 /nfs/dbraw/zinc/31/22/40/828312240.db2.gz FDOOFVVTVCQVEG-JHJVBQTASA-N 1 3 341.456 -0.345 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCCOC)CC[N@@H+]1C ZINC001127695479 828314832 /nfs/dbraw/zinc/31/48/32/828314832.db2.gz NMOMLOHIVMEPGX-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCCOC)CC[N@H+]1C ZINC001127695479 828314841 /nfs/dbraw/zinc/31/48/41/828314841.db2.gz NMOMLOHIVMEPGX-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760976 828321265 /nfs/dbraw/zinc/32/12/65/828321265.db2.gz WTOFGYIARNDCJY-HUUCEWRRSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760976 828321275 /nfs/dbraw/zinc/32/12/75/828321275.db2.gz WTOFGYIARNDCJY-HUUCEWRRSA-N 1 3 340.468 -0.140 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127777693 828325540 /nfs/dbraw/zinc/32/55/40/828325540.db2.gz BFYCJIXQQKCSOI-GJZGRUSLSA-N 1 3 349.435 -0.137 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127777693 828325551 /nfs/dbraw/zinc/32/55/51/828325551.db2.gz BFYCJIXQQKCSOI-GJZGRUSLSA-N 1 3 349.435 -0.137 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779955 828327082 /nfs/dbraw/zinc/32/70/82/828327082.db2.gz UKRXOLQIRQHXRW-KBPBESRZSA-N 1 3 326.441 -0.578 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779955 828327086 /nfs/dbraw/zinc/32/70/86/828327086.db2.gz UKRXOLQIRQHXRW-KBPBESRZSA-N 1 3 326.441 -0.578 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001184858047 833341831 /nfs/dbraw/zinc/34/18/31/833341831.db2.gz FZSCQZALBDQMDY-QLFBSQMISA-N 1 3 338.452 -0.434 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184877576 833342532 /nfs/dbraw/zinc/34/25/32/833342532.db2.gz UJJOFUWEYRWTPO-RBSFLKMASA-N 1 3 340.468 -0.188 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001185249122 833351165 /nfs/dbraw/zinc/35/11/65/833351165.db2.gz OWOLCOVSHDDHCM-CYBMUJFWSA-N 1 3 334.486 -0.590 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCCN2CCCS2(=O)=O)C1 ZINC001185248357 833351276 /nfs/dbraw/zinc/35/12/76/833351276.db2.gz CWHSPGGQGWVBKB-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001185416487 833358364 /nfs/dbraw/zinc/35/83/64/833358364.db2.gz WXCBQBHUSNXDML-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521864 829153521 /nfs/dbraw/zinc/15/35/21/829153521.db2.gz JZJHGIVAIXROSG-NYYRHTKUSA-N 1 3 336.436 -0.778 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521864 829153527 /nfs/dbraw/zinc/15/35/27/829153527.db2.gz JZJHGIVAIXROSG-NYYRHTKUSA-N 1 3 336.436 -0.778 20 0 EBADHO O=C(NCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC1 ZINC001131522014 829154442 /nfs/dbraw/zinc/15/44/42/829154442.db2.gz PKPBMVFGBDLUBM-KDJCLPLCSA-N 1 3 336.436 -0.918 20 0 EBADHO O=C(NCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC1 ZINC001131522015 829154501 /nfs/dbraw/zinc/15/45/01/829154501.db2.gz PKPBMVFGBDLUBM-TVIZTDCDSA-N 1 3 336.436 -0.918 20 0 EBADHO O=C(NCC[NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522276 829154611 /nfs/dbraw/zinc/15/46/11/829154611.db2.gz ZTKZEWAZRWZZEK-SBEAFCBVSA-N 1 3 345.390 -0.020 20 0 EBADHO COCCN1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692499 829187430 /nfs/dbraw/zinc/18/74/30/829187430.db2.gz HSNKBBZLFFVUQC-WBVHZDCISA-N 1 3 343.468 -0.097 20 0 EBADHO CN(CCNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)S(C)(=O)=O ZINC001131790672 829218463 /nfs/dbraw/zinc/21/84/63/829218463.db2.gz SAAPVPJWSJUZLS-CQSZACIVSA-N 1 3 346.497 -0.542 20 0 EBADHO C[N@H+](CCC(=O)NCCNCCNS(C)(=O)=O)C1CCCCC1 ZINC001131821496 829227633 /nfs/dbraw/zinc/22/76/33/829227633.db2.gz ANMFNWDMSWEISV-UHFFFAOYSA-N 1 3 348.513 -0.104 20 0 EBADHO C[N@@H+](CCC(=O)NCCNCCNS(C)(=O)=O)C1CCCCC1 ZINC001131821496 829227641 /nfs/dbraw/zinc/22/76/41/829227641.db2.gz ANMFNWDMSWEISV-UHFFFAOYSA-N 1 3 348.513 -0.104 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835237 829238599 /nfs/dbraw/zinc/23/85/99/829238599.db2.gz PUCLHKYVDUEDPJ-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CC(C)(C(=O)NCCNCC(=O)NC[C@H]1CCCO1)[NH+]1CCCC1 ZINC001132283663 829405762 /nfs/dbraw/zinc/40/57/62/829405762.db2.gz BUIUYHBJMDQLGK-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO CN(CCNCCNC(=O)C(C)(C)[NH+]1CCCC1)S(C)(=O)=O ZINC001132284061 829405986 /nfs/dbraw/zinc/40/59/86/829405986.db2.gz UKRTUVQLUSIYBT-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186552976 833405600 /nfs/dbraw/zinc/40/56/00/833405600.db2.gz MSEGMTVZNBHNJA-AWEZNQCLSA-N 1 3 340.468 -0.342 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)CN1CCOCCO ZINC001132425505 829454249 /nfs/dbraw/zinc/45/42/49/829454249.db2.gz ILPRODFLFFQAMU-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCCOCC)C1 ZINC001132737905 829512330 /nfs/dbraw/zinc/51/23/30/829512330.db2.gz SGDKVCPIPGNRCF-OAHLLOKOSA-N 1 3 342.484 -0.033 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCCOCC)C1 ZINC001132737905 829512339 /nfs/dbraw/zinc/51/23/39/829512339.db2.gz SGDKVCPIPGNRCF-OAHLLOKOSA-N 1 3 342.484 -0.033 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992556 829568234 /nfs/dbraw/zinc/56/82/34/829568234.db2.gz BQFKAKLVFIAOEH-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998281 829570316 /nfs/dbraw/zinc/57/03/16/829570316.db2.gz RHNBXRCVGGPGIF-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051326 829577728 /nfs/dbraw/zinc/57/77/28/829577728.db2.gz DJNTZBMRWIGRLB-UHFFFAOYSA-N 1 3 338.456 -0.574 20 0 EBADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133135825 829591283 /nfs/dbraw/zinc/59/12/83/829591283.db2.gz XSODDOLMAIYXMS-GHMZBOCLSA-N 1 3 336.396 -0.779 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285629 829614570 /nfs/dbraw/zinc/61/45/70/829614570.db2.gz AOIQATRCYCMYFZ-UHFFFAOYSA-N 1 3 327.429 -0.730 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001133434364 829631170 /nfs/dbraw/zinc/63/11/70/829631170.db2.gz NZXQBQNEEUMOSD-UKRRQHHQSA-N 1 3 328.457 -0.474 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001133434175 829631641 /nfs/dbraw/zinc/63/16/41/829631641.db2.gz JSXAPXSSIRHGHJ-CYBMUJFWSA-N 1 3 343.472 -0.097 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133820000 829679225 /nfs/dbraw/zinc/67/92/25/829679225.db2.gz UXWRZZIVMHZVRC-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001133823981 829681383 /nfs/dbraw/zinc/68/13/83/829681383.db2.gz UYYYSOVWUBBRKD-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845536 829684925 /nfs/dbraw/zinc/68/49/25/829684925.db2.gz IETZTHKKCHBEGV-UONOGXRCSA-N 1 3 346.497 -0.685 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850684 829686821 /nfs/dbraw/zinc/68/68/21/829686821.db2.gz QAHQHNUCAXALIG-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850684 829686824 /nfs/dbraw/zinc/68/68/24/829686824.db2.gz QAHQHNUCAXALIG-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001133853914 829688762 /nfs/dbraw/zinc/68/87/62/829688762.db2.gz UDQQEQBYBANPDT-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001133853914 829688765 /nfs/dbraw/zinc/68/87/65/829688765.db2.gz UDQQEQBYBANPDT-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133905460 829696366 /nfs/dbraw/zinc/69/63/66/829696366.db2.gz AQYAYPHNXSZOQB-CQSZACIVSA-N 1 3 333.473 -0.306 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001134020434 829713080 /nfs/dbraw/zinc/71/30/80/829713080.db2.gz AQBJPMRNCKWMHO-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021255 829714621 /nfs/dbraw/zinc/71/46/21/829714621.db2.gz WHKZAFRCPJJMBL-HNNXBMFYSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134767055 829841679 /nfs/dbraw/zinc/84/16/79/829841679.db2.gz QUZAACDGGDKDKP-ZDUSSCGKSA-N 1 3 339.440 -0.493 20 0 EBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118981 829899936 /nfs/dbraw/zinc/89/99/36/829899936.db2.gz UCKDXGZAPHJCEA-CYBMUJFWSA-N 1 3 338.456 -0.321 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001135513650 829980167 /nfs/dbraw/zinc/98/01/67/829980167.db2.gz SYMXAMJOPJFOAE-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001135513354 829980299 /nfs/dbraw/zinc/98/02/99/829980299.db2.gz MSKWMJSMESKTBI-GFCCVEGCSA-N 1 3 329.445 -0.343 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)NC2CCCC2)CC1 ZINC001135960090 830051990 /nfs/dbraw/zinc/05/19/90/830051990.db2.gz YHKUXJJIMPOZSS-UHFFFAOYSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001135963432 830053315 /nfs/dbraw/zinc/05/33/15/830053315.db2.gz LKYYISYJYWXBRY-GFCCVEGCSA-N 1 3 326.441 -0.530 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257857 837418709 /nfs/dbraw/zinc/41/87/09/837418709.db2.gz VVZOLARUDHKNLW-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601107 830212954 /nfs/dbraw/zinc/21/29/54/830212954.db2.gz JYDKFDIZCKYYHK-OLZOCXBDSA-N 1 3 341.456 -0.249 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824386 830416398 /nfs/dbraw/zinc/41/63/98/830416398.db2.gz JDPMELNTYWMUEY-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824685 830416420 /nfs/dbraw/zinc/41/64/20/830416420.db2.gz MACPYJBYBYIRHC-NWDGAFQWSA-N 1 3 327.429 -0.732 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)S(C)(=O)=O ZINC001147825107 830416703 /nfs/dbraw/zinc/41/67/03/830416703.db2.gz OKISNIZQAXEKTQ-UONOGXRCSA-N 1 3 348.513 -0.296 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001147885327 830425888 /nfs/dbraw/zinc/42/58/88/830425888.db2.gz LZLUTBJJGLLLSV-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001147885327 830425892 /nfs/dbraw/zinc/42/58/92/830425892.db2.gz LZLUTBJJGLLLSV-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001147886351 830426268 /nfs/dbraw/zinc/42/62/68/830426268.db2.gz VFTOJGHLTYQHAO-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001147892947 830427167 /nfs/dbraw/zinc/42/71/67/830427167.db2.gz MAGAMJIDBZFYBV-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001147892947 830427171 /nfs/dbraw/zinc/42/71/71/830427171.db2.gz MAGAMJIDBZFYBV-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(CCN1C(=O)CCC1=O)C2 ZINC001148215549 830457522 /nfs/dbraw/zinc/45/75/22/830457522.db2.gz AVPJJLFUQVJDQB-UHFFFAOYSA-N 1 3 336.436 -0.379 20 0 EBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001148469766 830493173 /nfs/dbraw/zinc/49/31/73/830493173.db2.gz UPVPCSFBFXURQP-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001148469766 830493176 /nfs/dbraw/zinc/49/31/76/830493176.db2.gz UPVPCSFBFXURQP-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148604944 830515922 /nfs/dbraw/zinc/51/59/22/830515922.db2.gz KVDGEYIPVWSRPM-OAHLLOKOSA-N 1 3 325.453 -0.129 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148604944 830515930 /nfs/dbraw/zinc/51/59/30/830515930.db2.gz KVDGEYIPVWSRPM-OAHLLOKOSA-N 1 3 325.453 -0.129 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1nc[nH]c1C ZINC001149123186 830593563 /nfs/dbraw/zinc/59/35/63/830593563.db2.gz IPAQPTCKFLBZNW-UHFFFAOYSA-N 1 3 331.442 -0.704 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193051 830835236 /nfs/dbraw/zinc/83/52/36/830835236.db2.gz LIVIPFRKVWDSSV-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049680 831016950 /nfs/dbraw/zinc/01/69/50/831016950.db2.gz WAERSSFNVIUKKO-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049680 831016960 /nfs/dbraw/zinc/01/69/60/831016960.db2.gz WAERSSFNVIUKKO-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001151361690 831061157 /nfs/dbraw/zinc/06/11/57/831061157.db2.gz NTTFDQXQZIJFPB-GFCCVEGCSA-N 1 3 327.429 -0.458 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCCN1CCCS1(=O)=O ZINC001152148428 831134140 /nfs/dbraw/zinc/13/41/40/831134140.db2.gz PTOQYMURNOSXRK-OKILXGFUSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCCN1CCCS1(=O)=O ZINC001152148428 831134144 /nfs/dbraw/zinc/13/41/44/831134144.db2.gz PTOQYMURNOSXRK-OKILXGFUSA-N 1 3 346.497 -0.400 20 0 EBADHO CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890533 831512772 /nfs/dbraw/zinc/51/27/72/831512772.db2.gz OEGMIGUGUAINRE-ZIAGYGMSSA-N 1 3 325.457 -0.210 20 0 EBADHO CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890533 831512778 /nfs/dbraw/zinc/51/27/78/831512778.db2.gz OEGMIGUGUAINRE-ZIAGYGMSSA-N 1 3 325.457 -0.210 20 0 EBADHO CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890016 831513124 /nfs/dbraw/zinc/51/31/24/831513124.db2.gz HIQOAPWUCUPLSP-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890016 831513130 /nfs/dbraw/zinc/51/31/30/831513130.db2.gz HIQOAPWUCUPLSP-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001157303009 831551396 /nfs/dbraw/zinc/55/13/96/831551396.db2.gz CSTVXVVOPCVVPE-QWRGUYRKSA-N 1 3 329.426 -0.981 20 0 EBADHO COCC1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157521001 831575228 /nfs/dbraw/zinc/57/52/28/831575228.db2.gz DIJHQEAOQPCTAC-KBPBESRZSA-N 1 3 326.441 -0.462 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157591236 831580780 /nfs/dbraw/zinc/58/07/80/831580780.db2.gz IQWRQIOAVKMIPU-BFHYXJOUSA-N 1 3 328.416 -0.397 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192604 831637706 /nfs/dbraw/zinc/63/77/06/831637706.db2.gz APUGDXLDCDMEBK-SGMGOOAPSA-N 1 3 332.408 -0.723 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508868 831661962 /nfs/dbraw/zinc/66/19/62/831661962.db2.gz XHOFPOWLAZFMSW-DGCLKSJQSA-N 1 3 325.438 -0.003 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158508868 831661964 /nfs/dbraw/zinc/66/19/64/831661964.db2.gz XHOFPOWLAZFMSW-DGCLKSJQSA-N 1 3 325.438 -0.003 20 0 EBADHO O=C([C@H]1CNCc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534836 831664396 /nfs/dbraw/zinc/66/43/96/831664396.db2.gz UPUJKCJKEGSTOH-TZDHZFECSA-N 1 3 331.420 -0.418 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579252 831667544 /nfs/dbraw/zinc/66/75/44/831667544.db2.gz QPIOIFMHYKAAMI-RVMXOQNASA-N 1 3 326.416 -0.140 20 0 EBADHO Cn1cncc1C[C@H](N)C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159133998 831711579 /nfs/dbraw/zinc/71/15/79/831711579.db2.gz LVZOAUREPUBDOE-ZFWWWQNUSA-N 1 3 345.451 -0.293 20 0 EBADHO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]32)nn1 ZINC001159297257 831736589 /nfs/dbraw/zinc/73/65/89/831736589.db2.gz INYTUHHRJHODAB-MJBXVCDLSA-N 1 3 334.424 -0.733 20 0 EBADHO CCN1C[C@H]2CCN(C(=O)[C@@H](N)CCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159402776 831750255 /nfs/dbraw/zinc/75/02/55/831750255.db2.gz DKZQZXBMFUZMTD-FRRDWIJNSA-N 1 3 332.470 -0.675 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159494006 831756871 /nfs/dbraw/zinc/75/68/71/831756871.db2.gz SKKWMOKSQRRIEV-UKRRQHHQSA-N 1 3 348.451 -0.470 20 0 EBADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC[C@@H]21 ZINC001159782433 831782402 /nfs/dbraw/zinc/78/24/02/831782402.db2.gz QQSVZQMRYVNMBL-KFWWJZLASA-N 1 3 334.464 -0.099 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)C1CC1 ZINC001159932831 831799436 /nfs/dbraw/zinc/79/94/36/831799436.db2.gz VZHHLQGPSQUFAN-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931499 831799780 /nfs/dbraw/zinc/79/97/80/831799780.db2.gz DZVLNXDSRUZTNR-UKRRQHHQSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)CCO1 ZINC001159931816 831799814 /nfs/dbraw/zinc/79/98/14/831799814.db2.gz JIBWKSBNRWWAMG-CJNGLKHVSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003622 831804961 /nfs/dbraw/zinc/80/49/61/831804961.db2.gz XKWLISHLNNBFRI-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160017972 831805719 /nfs/dbraw/zinc/80/57/19/831805719.db2.gz DFXABBABQHITCY-TUVASFSCSA-N 1 3 338.452 -0.177 20 0 EBADHO N[C@H]1C[NH2+][C@H](C(=O)N(Cc2cn3c(n2)CNCC3)c2ccccn2)C1 ZINC001160064857 831811039 /nfs/dbraw/zinc/81/10/39/831811039.db2.gz CRFDJFCXGQWHLB-OCCSQVGLSA-N 1 3 341.419 -0.396 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001160421453 831847218 /nfs/dbraw/zinc/84/72/18/831847218.db2.gz RKNDMRXZUJDPPL-INIZCTEOSA-N 1 3 342.484 -0.036 20 0 EBADHO Cc1ccnc(N2CCN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)CC2)c1 ZINC001160604332 831870177 /nfs/dbraw/zinc/87/01/77/831870177.db2.gz ALZWYDLDJFBWMC-INIZCTEOSA-N 1 3 346.479 -0.211 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CNC[C@H](F)C3)C[C@H]1C2 ZINC001160791873 831887917 /nfs/dbraw/zinc/88/79/17/831887917.db2.gz GSGRDKVDHILIHM-OHGMRDKBSA-N 1 3 339.411 -0.209 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)C3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001160813270 831890022 /nfs/dbraw/zinc/89/00/22/831890022.db2.gz YHKPMYNMTBRSRX-JKIFEVAISA-N 1 3 339.436 -0.259 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)c3[nH]nc4c3CNCC4)C[C@H]1C[NH2+]CC2 ZINC001160819372 831890065 /nfs/dbraw/zinc/89/00/65/831890065.db2.gz NXLYCCKRHNKRIU-PIGZYNQJSA-N 1 3 347.419 -0.330 20 0 EBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160823489 831891325 /nfs/dbraw/zinc/89/13/25/831891325.db2.gz HGJRTNXIZKQEON-DGCLKSJQSA-N 1 3 333.392 -0.792 20 0 EBADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCN1C ZINC001160870671 831902008 /nfs/dbraw/zinc/90/20/08/831902008.db2.gz ITLIUAFINSTVNZ-UONOGXRCSA-N 1 3 328.457 -0.202 20 0 EBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172911 831934541 /nfs/dbraw/zinc/93/45/41/831934541.db2.gz VOIRNYKBPWXNRS-CABCVRRESA-N 1 3 333.436 -0.150 20 0 EBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172911 831934545 /nfs/dbraw/zinc/93/45/45/831934545.db2.gz VOIRNYKBPWXNRS-CABCVRRESA-N 1 3 333.436 -0.150 20 0 EBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172915 831934725 /nfs/dbraw/zinc/93/47/25/831934725.db2.gz VOIRNYKBPWXNRS-HUUCEWRRSA-N 1 3 333.436 -0.150 20 0 EBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172915 831934729 /nfs/dbraw/zinc/93/47/29/831934729.db2.gz VOIRNYKBPWXNRS-HUUCEWRRSA-N 1 3 333.436 -0.150 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001161226611 831938874 /nfs/dbraw/zinc/93/88/74/831938874.db2.gz LELYHOUDXBPFKA-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313544 831947264 /nfs/dbraw/zinc/94/72/64/831947264.db2.gz PCMQGPRLTZMCKZ-ZDUSSCGKSA-N 1 3 335.383 -0.206 20 0 EBADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161374172 831951542 /nfs/dbraw/zinc/95/15/42/831951542.db2.gz UGAOHDCCFRBFPT-SWLSCSKDSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161374172 831951547 /nfs/dbraw/zinc/95/15/47/831951547.db2.gz UGAOHDCCFRBFPT-SWLSCSKDSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cc1cncn1C)CC2 ZINC001161476280 831962447 /nfs/dbraw/zinc/96/24/47/831962447.db2.gz CJITWBNNRQQUGP-XEZPLFJOSA-N 1 3 335.408 -0.957 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1CCC(O)CC1)CC2 ZINC001161481956 831964595 /nfs/dbraw/zinc/96/45/95/831964595.db2.gz UPXGAVNBKDYVCR-DHNHGVONSA-N 1 3 339.436 -0.382 20 0 EBADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872241 832068102 /nfs/dbraw/zinc/06/81/02/832068102.db2.gz LHRQNCRLEGJYAD-GNHJJJEISA-N 1 3 348.451 -0.243 20 0 EBADHO Cn1cc(C[NH2+]CCCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)cn1 ZINC001162872659 832069714 /nfs/dbraw/zinc/06/97/14/832069714.db2.gz ZQJLRVCQCYZSNW-GNHJJJEISA-N 1 3 333.436 -0.121 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010087 832246220 /nfs/dbraw/zinc/24/62/20/832246220.db2.gz GRGFTFLDLJDTIR-OAHLLOKOSA-N 1 3 330.473 -0.179 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166009902 832246254 /nfs/dbraw/zinc/24/62/54/832246254.db2.gz BVWQNZAVTMXZLV-HUUCEWRRSA-N 1 3 333.473 -0.308 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004732 832246303 /nfs/dbraw/zinc/24/63/03/832246303.db2.gz VGKCCMQLMXMBMK-CHWSQXEVSA-N 1 3 343.472 -0.097 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001166668111 832277426 /nfs/dbraw/zinc/27/74/26/832277426.db2.gz RIKATCNPLCGNKM-CQSZACIVSA-N 1 3 326.441 -0.717 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001166668306 832277514 /nfs/dbraw/zinc/27/75/14/832277514.db2.gz YLUFKEUOVUNLEH-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166676671 832278593 /nfs/dbraw/zinc/27/85/93/832278593.db2.gz AYGDKPNFJBTBES-CABCVRRESA-N 1 3 331.457 -0.552 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678413 832280310 /nfs/dbraw/zinc/28/03/10/832280310.db2.gz VAZUVEUFMHDPNE-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C ZINC001166852888 832294022 /nfs/dbraw/zinc/29/40/22/832294022.db2.gz XSXIWGUTXASMPQ-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001353170411 832412211 /nfs/dbraw/zinc/41/22/11/832412211.db2.gz IAYADCNWLDDKLE-ZIAGYGMSSA-N 1 3 328.457 -0.615 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCCNCC(=O)Nc1nccs1 ZINC001171205692 832550750 /nfs/dbraw/zinc/55/07/50/832550750.db2.gz WEZAUYMLYXCRSK-UHFFFAOYSA-N 1 3 343.453 -0.244 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001171762575 832575085 /nfs/dbraw/zinc/57/50/85/832575085.db2.gz GSINIZSKKUHWTQ-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001176986665 832726036 /nfs/dbraw/zinc/72/60/36/832726036.db2.gz SCRRZGNXOIRTNK-CYBMUJFWSA-N 1 3 343.472 -0.985 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C)N(C)C ZINC001178985301 832938019 /nfs/dbraw/zinc/93/80/19/832938019.db2.gz CQJYXVRBNVWXNP-MELADBBJSA-N 1 3 348.513 -0.155 20 0 EBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(=O)NC(N)=O ZINC001179303506 832968616 /nfs/dbraw/zinc/96/86/16/832968616.db2.gz FSJQFBDMTBCJOT-NOOOWODRSA-N 1 3 325.413 -0.757 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179475888 832982414 /nfs/dbraw/zinc/98/24/14/832982414.db2.gz BTTBLAOVRPYSJD-JSGCOSHPSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179534768 832985474 /nfs/dbraw/zinc/98/54/74/832985474.db2.gz VWLHSAZVRMOEFN-WOPDTQHZSA-N 1 3 325.413 -0.755 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1 ZINC001187083819 833897355 /nfs/dbraw/zinc/89/73/55/833897355.db2.gz SLUGSCNWNBIMOA-QWHCGFSZSA-N 1 3 332.470 -0.932 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1 ZINC001187083819 833897377 /nfs/dbraw/zinc/89/73/77/833897377.db2.gz SLUGSCNWNBIMOA-QWHCGFSZSA-N 1 3 332.470 -0.932 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106860 833901981 /nfs/dbraw/zinc/90/19/81/833901981.db2.gz OPWUITVHUBQRKF-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106860 833901984 /nfs/dbraw/zinc/90/19/84/833901984.db2.gz OPWUITVHUBQRKF-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121356 833902522 /nfs/dbraw/zinc/90/25/22/833902522.db2.gz INSGCWPWIHQRJI-CQSZACIVSA-N 1 3 328.457 -0.473 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001187290910 833916471 /nfs/dbraw/zinc/91/64/71/833916471.db2.gz CCZBBQOTYJDYPW-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001188979465 834113312 /nfs/dbraw/zinc/11/33/12/834113312.db2.gz NWAQVYGXXMPHRW-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001189811209 834194251 /nfs/dbraw/zinc/19/42/51/834194251.db2.gz WHUXLCOXJJOGKD-JKSUJKDBSA-N 1 3 335.452 -0.006 20 0 EBADHO CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488057 834886470 /nfs/dbraw/zinc/88/64/70/834886470.db2.gz LLERDOXCXBBTBY-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COCCOC)C1 ZINC001193642394 834922486 /nfs/dbraw/zinc/92/24/86/834922486.db2.gz NHTSEVLZPLOFGG-HOTGVXAUSA-N 1 3 345.484 -0.115 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COCCOC)C1 ZINC001193642394 834922489 /nfs/dbraw/zinc/92/24/89/834922489.db2.gz NHTSEVLZPLOFGG-HOTGVXAUSA-N 1 3 345.484 -0.115 20 0 EBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195701737 835273768 /nfs/dbraw/zinc/27/37/68/835273768.db2.gz QPBWMDVOHUYTFX-RRFJBIMHSA-N 1 3 340.468 -0.594 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198699640 835710757 /nfs/dbraw/zinc/71/07/57/835710757.db2.gz VIVRRGDVLUBKGP-RRFJBIMHSA-N 1 3 329.441 -0.848 20 0 EBADHO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198699640 835710760 /nfs/dbraw/zinc/71/07/60/835710760.db2.gz VIVRRGDVLUBKGP-RRFJBIMHSA-N 1 3 329.441 -0.848 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001200634866 835999354 /nfs/dbraw/zinc/99/93/54/835999354.db2.gz NAOGJGUUWYEBPI-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001200634866 835999366 /nfs/dbraw/zinc/99/93/66/835999366.db2.gz NAOGJGUUWYEBPI-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200635889 836001120 /nfs/dbraw/zinc/00/11/20/836001120.db2.gz XGMRENQLMATDMI-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200635889 836001125 /nfs/dbraw/zinc/00/11/25/836001125.db2.gz XGMRENQLMATDMI-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001200658225 836010500 /nfs/dbraw/zinc/01/05/00/836010500.db2.gz IPTYENLFLQOQOH-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688207 836015474 /nfs/dbraw/zinc/01/54/74/836015474.db2.gz LUTBGTCCSICDMG-DZGCQCFKSA-N 1 3 326.441 -0.720 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001200796387 836037593 /nfs/dbraw/zinc/03/75/93/836037593.db2.gz XGGJOJYGUNFQIG-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1)C(N)=O ZINC001200887134 836060541 /nfs/dbraw/zinc/06/05/41/836060541.db2.gz IDXYOVNDBBIAFU-KBPBESRZSA-N 1 3 338.452 -0.304 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262041 836119659 /nfs/dbraw/zinc/11/96/59/836119659.db2.gz ROUVZJMNNUWCKV-OLZOCXBDSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001201275767 836121015 /nfs/dbraw/zinc/12/10/15/836121015.db2.gz AHEHCBLLFKKINW-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309627 836127251 /nfs/dbraw/zinc/12/72/51/836127251.db2.gz SBIKOUZLKXQGLI-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201321142 836129655 /nfs/dbraw/zinc/12/96/55/836129655.db2.gz FEMLFYYBAWQYNL-UHFFFAOYSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001201401979 836139986 /nfs/dbraw/zinc/13/99/86/836139986.db2.gz AGADTDPQTPRRNL-CVEARBPZSA-N 1 3 343.468 -0.456 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201403644 836140595 /nfs/dbraw/zinc/14/05/95/836140595.db2.gz NXUBNSGRLCEFHU-HZPDHXFCSA-N 1 3 343.468 -0.313 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481864 836151127 /nfs/dbraw/zinc/15/11/27/836151127.db2.gz HEIKFGRDGUKUFF-KBPBESRZSA-N 1 3 326.397 -0.833 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201677468 836174161 /nfs/dbraw/zinc/17/41/61/836174161.db2.gz CEUWGSRVTOKUQW-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201677780 836174375 /nfs/dbraw/zinc/17/43/75/836174375.db2.gz DDKJZYQNVRBMOA-OAHLLOKOSA-N 1 3 331.457 -0.456 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001201679070 836174693 /nfs/dbraw/zinc/17/46/93/836174693.db2.gz RXANOVOVXQBUJJ-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001201808357 836194536 /nfs/dbraw/zinc/19/45/36/836194536.db2.gz CBCCRJYJHUISDS-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001201808357 836194541 /nfs/dbraw/zinc/19/45/41/836194541.db2.gz CBCCRJYJHUISDS-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864272 836207865 /nfs/dbraw/zinc/20/78/65/836207865.db2.gz VBTZYMISMQQIFM-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864272 836207871 /nfs/dbraw/zinc/20/78/71/836207871.db2.gz VBTZYMISMQQIFM-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001201924506 836216469 /nfs/dbraw/zinc/21/64/69/836216469.db2.gz NHROIBWKJRFZNA-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001201924506 836216488 /nfs/dbraw/zinc/21/64/88/836216488.db2.gz NHROIBWKJRFZNA-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201930566 836217115 /nfs/dbraw/zinc/21/71/15/836217115.db2.gz DGBKUAYNXGVZLH-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001201931987 836218593 /nfs/dbraw/zinc/21/85/93/836218593.db2.gz QBFTXAQZISUIDQ-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057167 836242074 /nfs/dbraw/zinc/24/20/74/836242074.db2.gz DOMOGPJNTBGCRT-HUUCEWRRSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057167 836242085 /nfs/dbraw/zinc/24/20/85/836242085.db2.gz DOMOGPJNTBGCRT-HUUCEWRRSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC3CC3)C2)C1 ZINC001202059427 836245135 /nfs/dbraw/zinc/24/51/35/836245135.db2.gz PLXHNXOSQMNXSM-DZGCQCFKSA-N 1 3 338.452 -0.576 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC3CC3)C2)C1 ZINC001202059427 836245146 /nfs/dbraw/zinc/24/51/46/836245146.db2.gz PLXHNXOSQMNXSM-DZGCQCFKSA-N 1 3 338.452 -0.576 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCCS(C)(=O)=O)C2)C1 ZINC001202058249 836245905 /nfs/dbraw/zinc/24/59/05/836245905.db2.gz IYPHLILKSIPRDD-KBPBESRZSA-N 1 3 347.481 -0.810 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCCS(C)(=O)=O)C2)C1 ZINC001202058249 836245923 /nfs/dbraw/zinc/24/59/23/836245923.db2.gz IYPHLILKSIPRDD-KBPBESRZSA-N 1 3 347.481 -0.810 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162825 836265207 /nfs/dbraw/zinc/26/52/07/836265207.db2.gz AEFOHPLXIBMARF-KGLIPLIRSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001202163845 836265895 /nfs/dbraw/zinc/26/58/95/836265895.db2.gz IQYCKKZNQJOPPN-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001202496762 836307896 /nfs/dbraw/zinc/30/78/96/836307896.db2.gz XQFRNRBELCFRFV-CYBMUJFWSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001202496797 836308402 /nfs/dbraw/zinc/30/84/02/836308402.db2.gz YVOKPOKHBIUNOA-RYUDHWBXSA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(=O)NC(N)=O ZINC001202496798 836309258 /nfs/dbraw/zinc/30/92/58/836309258.db2.gz YVOKPOKHBIUNOA-VXGBXAGGSA-N 1 3 339.440 -0.365 20 0 EBADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001203715074 836467054 /nfs/dbraw/zinc/46/70/54/836467054.db2.gz ZPXFBRBSIXPSAK-INIZCTEOSA-N 1 3 335.452 -0.080 20 0 EBADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001205518562 836575046 /nfs/dbraw/zinc/57/50/46/836575046.db2.gz CKFNLVAUKOASQS-WCQYABFASA-N 1 3 341.456 -0.262 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001206954819 836728403 /nfs/dbraw/zinc/72/84/03/836728403.db2.gz ZBHBKUYXJQECIW-LBPRGKRZSA-N 1 3 341.456 -0.262 20 0 EBADHO NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063674 836939030 /nfs/dbraw/zinc/93/90/30/836939030.db2.gz RSGXHGSKYCQYRS-QWHCGFSZSA-N 1 3 337.424 -0.896 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001208330599 836997818 /nfs/dbraw/zinc/99/78/18/836997818.db2.gz ALEILBPQDFZZRG-VXGBXAGGSA-N 1 3 339.440 -0.365 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328579 836998281 /nfs/dbraw/zinc/99/82/81/836998281.db2.gz FZGYBDMPTQLYAB-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001208334104 836999588 /nfs/dbraw/zinc/99/95/88/836999588.db2.gz FOTYODMUGMJUOR-AAEUAGOBSA-N 1 3 325.413 -0.898 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208357892 837006154 /nfs/dbraw/zinc/00/61/54/837006154.db2.gz DLTNZPJOESYZMS-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208357892 837006158 /nfs/dbraw/zinc/00/61/58/837006158.db2.gz DLTNZPJOESYZMS-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001209418913 837166735 /nfs/dbraw/zinc/16/67/35/837166735.db2.gz GSVBHTOLQRTTFQ-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445720 837167460 /nfs/dbraw/zinc/16/74/60/837167460.db2.gz OOYREMWTTWIUHO-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209670185 837188669 /nfs/dbraw/zinc/18/86/69/837188669.db2.gz XMWBENJEDBMERH-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210339911 837272415 /nfs/dbraw/zinc/27/24/15/837272415.db2.gz RRTYLWFXRMEFMB-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001210493714 837290304 /nfs/dbraw/zinc/29/03/04/837290304.db2.gz OALKJCWOBCGLGY-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001210493714 837290311 /nfs/dbraw/zinc/29/03/11/837290311.db2.gz OALKJCWOBCGLGY-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CS(=O)(=O)CCN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673898 837316603 /nfs/dbraw/zinc/31/66/03/837316603.db2.gz JGDXKDPGCCHOQO-ZDUSSCGKSA-N 1 3 329.466 -0.293 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685425 837320189 /nfs/dbraw/zinc/32/01/89/837320189.db2.gz VTOASNYVFWNZFF-LBPRGKRZSA-N 1 3 337.424 -0.882 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210811106 837334042 /nfs/dbraw/zinc/33/40/42/837334042.db2.gz JAUGPSJVWFWEMU-HOTGVXAUSA-N 1 3 345.484 -0.067 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863797 837889310 /nfs/dbraw/zinc/88/93/10/837889310.db2.gz SZDWAUBDTCSCIQ-ARFHVFGLSA-N 1 3 343.468 -0.193 20 0 EBADHO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863797 837889318 /nfs/dbraw/zinc/88/93/18/837889318.db2.gz SZDWAUBDTCSCIQ-ARFHVFGLSA-N 1 3 343.468 -0.193 20 0 EBADHO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)C2(N(C)C)CCC2)n1 ZINC001320236028 838720335 /nfs/dbraw/zinc/72/03/35/838720335.db2.gz UVDRVOUGJUSLIJ-CQSZACIVSA-N 1 3 338.456 -0.554 20 0 EBADHO CCN(CCNCC(=O)N(C)C)C(=O)COC1CC[NH+](C)CC1 ZINC001320880764 838853802 /nfs/dbraw/zinc/85/38/02/838853802.db2.gz QKLGLAMILMOXJV-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394085 838980608 /nfs/dbraw/zinc/98/06/08/838980608.db2.gz VJWCBASNYSHTJE-AGFGORMFSA-N 1 3 339.440 -0.566 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321394085 838980612 /nfs/dbraw/zinc/98/06/12/838980612.db2.gz VJWCBASNYSHTJE-AGFGORMFSA-N 1 3 339.440 -0.566 20 0 EBADHO CN(CC(=O)N[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013767 839321765 /nfs/dbraw/zinc/32/17/65/839321765.db2.gz DXWSNFFUWTVRCB-UONOGXRCSA-N 1 3 336.436 -0.240 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@](C)(CO)C1 ZINC001325697545 839914048 /nfs/dbraw/zinc/91/40/48/839914048.db2.gz JONIWAXAIBWKDZ-KRWDZBQOSA-N 1 3 342.484 -0.441 20 0 EBADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001327498111 840436835 /nfs/dbraw/zinc/43/68/35/840436835.db2.gz JJYXBXFRIRRRCH-HIFRSBDPSA-N 1 3 338.452 -0.447 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCn2cccn2)CC1 ZINC001328187659 840613898 /nfs/dbraw/zinc/61/38/98/840613898.db2.gz YRKRKEPDPAPCPU-OAHLLOKOSA-N 1 3 335.452 -0.080 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001328767665 840745728 /nfs/dbraw/zinc/74/57/28/840745728.db2.gz BNQVMXXSIZWJLW-UHFFFAOYSA-N 1 3 336.436 -0.202 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201479 840872447 /nfs/dbraw/zinc/87/24/47/840872447.db2.gz CKQIPJWGZZBLON-NEPJUHHUSA-N 1 3 327.429 -0.639 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001329841132 841038359 /nfs/dbraw/zinc/03/83/59/841038359.db2.gz BWOKUFPGIGRWOA-TZMCWYRMSA-N 1 3 326.441 -0.530 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332303737 841610641 /nfs/dbraw/zinc/61/06/41/841610641.db2.gz UZPWCVOVCHEUDS-RBSFLKMASA-N 1 3 339.484 -0.770 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001332303248 841610668 /nfs/dbraw/zinc/61/06/68/841610668.db2.gz SNBUNQOQCOPNDL-RBSFLKMASA-N 1 3 339.484 -0.628 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001332303247 841610760 /nfs/dbraw/zinc/61/07/60/841610760.db2.gz SNBUNQOQCOPNDL-QLFBSQMISA-N 1 3 339.484 -0.628 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332502320 841654890 /nfs/dbraw/zinc/65/48/90/841654890.db2.gz BLBKOJAYYGYPRD-CABCVRRESA-N 1 3 338.456 -0.440 20 0 EBADHO CNC(=O)[C@H](C)NCCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001333223115 841826089 /nfs/dbraw/zinc/82/60/89/841826089.db2.gz NRWAVNIWEUXFLO-BFHYXJOUSA-N 1 3 328.457 -0.474 20 0 EBADHO CNC(=O)[C@H](C)NCCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001333223115 841826101 /nfs/dbraw/zinc/82/61/01/841826101.db2.gz NRWAVNIWEUXFLO-BFHYXJOUSA-N 1 3 328.457 -0.474 20 0 EBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001333961379 841976634 /nfs/dbraw/zinc/97/66/34/841976634.db2.gz UWEFYCOWXJPRHA-UONOGXRCSA-N 1 3 325.457 -0.922 20 0 EBADHO CN1CCN(CCOc2ccc(NC(=O)CNCC[NH3+])cc2)CC1 ZINC001340119720 842972674 /nfs/dbraw/zinc/97/26/74/842972674.db2.gz UFQOVJUIRDXZOD-UHFFFAOYSA-N 1 3 335.452 -0.200 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340206283 842981443 /nfs/dbraw/zinc/98/14/43/842981443.db2.gz QTKKWMXSZABIOJ-DVOMOZLQSA-N 1 3 326.441 -0.842 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC001345206462 843376760 /nfs/dbraw/zinc/37/67/60/843376760.db2.gz VSVKKTCOTTVEIX-CQSZACIVSA-N 1 3 339.484 -0.804 20 0 EBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001347085318 843589991 /nfs/dbraw/zinc/58/99/91/843589991.db2.gz IOADOKPLSUTFTK-KDJCLPLCSA-N 1 3 336.436 -0.694 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001691178149 1125841382 /nfs/dbraw/zinc/84/13/82/1125841382.db2.gz NVEJFKOYWNHUNE-BHPKHCPMSA-N 1 3 338.452 -0.138 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001691324395 1125851241 /nfs/dbraw/zinc/85/12/41/1125851241.db2.gz DTVDRFBPZFPZFR-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001691324395 1125851242 /nfs/dbraw/zinc/85/12/42/1125851242.db2.gz DTVDRFBPZFPZFR-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CN(CCNCC(=O)N1CCOCC1)C(=O)C1CC[NH+](C)CC1 ZINC001481276395 1125962310 /nfs/dbraw/zinc/96/23/10/1125962310.db2.gz VPFYXEQOTFGYQZ-UHFFFAOYSA-N 1 3 326.441 -0.765 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001671255840 1125995343 /nfs/dbraw/zinc/99/53/43/1125995343.db2.gz AEHMBTIKWLZYSZ-ZIAGYGMSSA-N 1 3 348.513 -0.155 20 0 EBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001481819401 1126059226 /nfs/dbraw/zinc/05/92/26/1126059226.db2.gz VWTFMFCRLRZMFQ-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325890 1126131901 /nfs/dbraw/zinc/13/19/01/1126131901.db2.gz NNNKYCWTVGLWQT-LLVKDONJSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)CN1CCCC1 ZINC001482365991 1126139282 /nfs/dbraw/zinc/13/92/82/1126139282.db2.gz ZTAXNTRZOKOFGM-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CC[C@H](NC[C@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774140 1126284941 /nfs/dbraw/zinc/28/49/41/1126284941.db2.gz HLPLGXQCJVTSBK-KBPBESRZSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN(CCNCCN(C)S(C)(=O)=O)C(=O)C1CC[NH+](C)CC1 ZINC001482946974 1126305429 /nfs/dbraw/zinc/30/54/29/1126305429.db2.gz CAQKRYHBUIVQQH-UHFFFAOYSA-N 1 3 348.513 -0.342 20 0 EBADHO C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CN(C)C1CCC1 ZINC001483137327 1126344936 /nfs/dbraw/zinc/34/49/36/1126344936.db2.gz OTPBHLHSMKRZDI-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001409359507 1126358266 /nfs/dbraw/zinc/35/82/66/1126358266.db2.gz KGBLOBPBWLWWPW-GHMZBOCLSA-N 1 3 329.445 -0.358 20 0 EBADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001409359596 1126358392 /nfs/dbraw/zinc/35/83/92/1126358392.db2.gz KGBLOBPBWLWWPW-WDEREUQCSA-N 1 3 329.445 -0.358 20 0 EBADHO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CN(C)C1CCC1 ZINC001483235195 1126372512 /nfs/dbraw/zinc/37/25/12/1126372512.db2.gz FDTDTCIZCBPSNP-NSHDSACASA-N 1 3 325.413 -0.883 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001483240810 1126409554 /nfs/dbraw/zinc/40/95/54/1126409554.db2.gz VGJPALMVDAHWNW-QWHCGFSZSA-N 1 3 334.486 -0.544 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483298974 1126415148 /nfs/dbraw/zinc/41/51/48/1126415148.db2.gz RVDYNAYHGUJMBF-JSGCOSHPSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596934 1126438925 /nfs/dbraw/zinc/43/89/25/1126438925.db2.gz RNJOESMIPROWCR-DOMZBBRYSA-N 1 3 340.468 -0.284 20 0 EBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1 ZINC001484191233 1126513061 /nfs/dbraw/zinc/51/30/61/1126513061.db2.gz LVEXVUWPDDBLHM-UHFFFAOYSA-N 1 3 328.457 -0.330 20 0 EBADHO C[NH+](C)CCCC(=O)NCC1(NCC(=O)N2CCC2)CCOCC1 ZINC001484186602 1126514230 /nfs/dbraw/zinc/51/42/30/1126514230.db2.gz DPFSXYPPXFTNSS-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO O=C(NC[C@]1(O)CCN(CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484216393 1126523791 /nfs/dbraw/zinc/52/37/91/1126523791.db2.gz LUBUKYYGSBEQIS-SJLPKXTDSA-N 1 3 347.463 -0.222 20 0 EBADHO O=C(NC[C@@]1(O)CCN(CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484216391 1126524084 /nfs/dbraw/zinc/52/40/84/1126524084.db2.gz LUBUKYYGSBEQIS-AEFFLSMTSA-N 1 3 347.463 -0.222 20 0 EBADHO C[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484356325 1126565133 /nfs/dbraw/zinc/56/51/33/1126565133.db2.gz KRMQAEUOBHKOAU-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO CNC(=O)NC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001484660924 1126614974 /nfs/dbraw/zinc/61/49/74/1126614974.db2.gz WAJBUTBFVBSEFI-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO CNC(=O)NC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001484660924 1126614975 /nfs/dbraw/zinc/61/49/75/1126614975.db2.gz WAJBUTBFVBSEFI-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700856 1126622785 /nfs/dbraw/zinc/62/27/85/1126622785.db2.gz UOUZOSOCZUVFGB-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CN1CC[C@H](NC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695204 1126624564 /nfs/dbraw/zinc/62/45/64/1126624564.db2.gz ABZBOQKNSZGRDN-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1 ZINC001484870946 1126647477 /nfs/dbraw/zinc/64/74/77/1126647477.db2.gz NZOZBQASCGUCRA-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001484905429 1126652131 /nfs/dbraw/zinc/65/21/31/1126652131.db2.gz NVFRBMUDZDBQDL-NWDGAFQWSA-N 1 3 327.429 -0.650 20 0 EBADHO Cn1nncc1CNCC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001484867657 1126648558 /nfs/dbraw/zinc/64/85/58/1126648558.db2.gz MGGDAKZNGAGJNF-UHFFFAOYSA-N 1 3 338.456 -0.088 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCOCC1 ZINC001484868254 1126648566 /nfs/dbraw/zinc/64/85/66/1126648566.db2.gz GOLGDNZVHCAUIQ-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001484905429 1126652133 /nfs/dbraw/zinc/65/21/33/1126652133.db2.gz NVFRBMUDZDBQDL-NWDGAFQWSA-N 1 3 327.429 -0.650 20 0 EBADHO CN(CCN1CCNC1=O)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068564 1126670670 /nfs/dbraw/zinc/67/06/70/1126670670.db2.gz GKRVAUNCCCYAAA-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC2(CO[C@H](CNCC(N)=O)C2)CC1 ZINC001485673925 1126796285 /nfs/dbraw/zinc/79/62/85/1126796285.db2.gz TYNXPKXIIKDDPG-AWEZNQCLSA-N 1 3 340.468 -0.199 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC2(CO[C@H](CNCC(N)=O)C2)CC1 ZINC001485673925 1126796287 /nfs/dbraw/zinc/79/62/87/1126796287.db2.gz TYNXPKXIIKDDPG-AWEZNQCLSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001485927563 1126917112 /nfs/dbraw/zinc/91/71/12/1126917112.db2.gz PZAQIYHMWMDROF-NEPJUHHUSA-N 1 3 328.438 -0.177 20 0 EBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955222 1126921829 /nfs/dbraw/zinc/92/18/29/1126921829.db2.gz HTASBEJYDPHNGL-NWDGAFQWSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955222 1126921831 /nfs/dbraw/zinc/92/18/31/1126921831.db2.gz HTASBEJYDPHNGL-NWDGAFQWSA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001485929588 1126922594 /nfs/dbraw/zinc/92/25/94/1126922594.db2.gz ADNPFMZHQCYHHZ-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NC[C@@H]1COc2ccccc2O1 ZINC001486031140 1127002137 /nfs/dbraw/zinc/00/21/37/1127002137.db2.gz OWCBISHGMDVYQC-UONOGXRCSA-N 1 3 337.420 -0.155 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)CC1 ZINC001486307844 1127112521 /nfs/dbraw/zinc/11/25/21/1127112521.db2.gz HXEMFUPTJADFQH-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001486466829 1127180944 /nfs/dbraw/zinc/18/09/44/1127180944.db2.gz VDABFEIVHMZQPY-HTAVTVPLSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)NC(=O)CN[C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150341 1127628590 /nfs/dbraw/zinc/62/85/90/1127628590.db2.gz FIDBETUQVLFXDQ-ZIAGYGMSSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCc1cnn(C)c1 ZINC001410622517 1127778646 /nfs/dbraw/zinc/77/86/46/1127778646.db2.gz MMNZMUUBVFBWHX-HOTGVXAUSA-N 1 3 337.468 -0.098 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975132 1127957606 /nfs/dbraw/zinc/95/76/06/1127957606.db2.gz HHOGYOCQJBGCOJ-GHMZBOCLSA-N 1 3 327.429 -0.652 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128444 1128022816 /nfs/dbraw/zinc/02/28/16/1128022816.db2.gz PSLANUZMKOIMOV-KBPBESRZSA-N 1 3 328.457 -0.642 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128448 1128023173 /nfs/dbraw/zinc/02/31/73/1128023173.db2.gz PSLANUZMKOIMOV-KGLIPLIRSA-N 1 3 328.457 -0.642 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNC[C@H]4CCOC4)nn3)C2)C1 ZINC001093343798 1128330968 /nfs/dbraw/zinc/33/09/68/1128330968.db2.gz QWAVMDJVRUKNRH-ZIAGYGMSSA-N 1 3 348.451 -0.261 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNC[C@H]4CCOC4)nn3)C2)C1 ZINC001093343798 1128330972 /nfs/dbraw/zinc/33/09/72/1128330972.db2.gz QWAVMDJVRUKNRH-ZIAGYGMSSA-N 1 3 348.451 -0.261 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834527 1128355826 /nfs/dbraw/zinc/35/58/26/1128355826.db2.gz GAXNFCUOECWRDG-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001488383175 1128760294 /nfs/dbraw/zinc/76/02/94/1128760294.db2.gz QOIKTLNDVPJCTL-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001488383175 1128760297 /nfs/dbraw/zinc/76/02/97/1128760297.db2.gz QOIKTLNDVPJCTL-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO Cn1cc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]CCCO)cn1 ZINC001488981032 1128894058 /nfs/dbraw/zinc/89/40/58/1128894058.db2.gz QDCPSQDAUNUYJX-LSDHHAIUSA-N 1 3 332.408 -0.348 20 0 EBADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(=O)NC(N)=O ZINC001490355008 1129172511 /nfs/dbraw/zinc/17/25/11/1129172511.db2.gz DAUULPNLHNOPEO-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1O ZINC001414054745 1131362565 /nfs/dbraw/zinc/36/25/65/1131362565.db2.gz QKPWALJFKJECGO-ILXRZTDVSA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1O ZINC001414054745 1131362570 /nfs/dbraw/zinc/36/25/70/1131362570.db2.gz QKPWALJFKJECGO-ILXRZTDVSA-N 1 3 342.484 -0.254 20 0 EBADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC001490932444 1130267182 /nfs/dbraw/zinc/26/71/82/1130267182.db2.gz SFKABAAYQBYYLB-HDJSIYSDSA-N 1 3 331.482 0.000 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001490957549 1130273300 /nfs/dbraw/zinc/27/33/00/1130273300.db2.gz VDNZSWCWZYNTLS-IHRRRGAJSA-N 1 3 336.440 -0.480 20 0 EBADHO CC[C@H](C(=O)NCCNC(=O)COC1CC[NH+](C)CC1)N(C)C ZINC001491475546 1130461642 /nfs/dbraw/zinc/46/16/42/1130461642.db2.gz LBKUXQKUCPIGQB-CQSZACIVSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477834 1130462462 /nfs/dbraw/zinc/46/24/62/1130462462.db2.gz MORAGPRRUSCTNK-YPMHNXCESA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477834 1130462465 /nfs/dbraw/zinc/46/24/65/1130462465.db2.gz MORAGPRRUSCTNK-YPMHNXCESA-N 1 3 339.440 -0.317 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366089666 1132996867 /nfs/dbraw/zinc/99/68/67/1132996867.db2.gz JPZMPHGQLDRXCR-NWDGAFQWSA-N 1 3 325.413 -0.883 20 0 EBADHO Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)n(C)n1 ZINC001366111449 1133011216 /nfs/dbraw/zinc/01/12/16/1133011216.db2.gz QREVAHNFEGVJLL-MGPQQGTHSA-N 1 3 348.451 -0.002 20 0 EBADHO C[C@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221736 1133062809 /nfs/dbraw/zinc/06/28/09/1133062809.db2.gz ZKSUUWMPBYPFGT-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001366289610 1133086409 /nfs/dbraw/zinc/08/64/09/1133086409.db2.gz SLSJALXIWKLBJO-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336601 1133103379 /nfs/dbraw/zinc/10/33/79/1133103379.db2.gz OHZVQJHNJCAYJG-MEBBXXQBSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336601 1133103377 /nfs/dbraw/zinc/10/33/77/1133103377.db2.gz OHZVQJHNJCAYJG-MEBBXXQBSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001366383409 1133122127 /nfs/dbraw/zinc/12/21/27/1133122127.db2.gz XMJRFJGKOUWFFW-RYUDHWBXSA-N 1 3 337.424 -0.611 20 0 EBADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703990 1133263437 /nfs/dbraw/zinc/26/34/37/1133263437.db2.gz DITOPHYYTMJMCX-ZFWWWQNUSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001367601002 1133677676 /nfs/dbraw/zinc/67/76/76/1133677676.db2.gz MDCWKYBVUQIGDQ-QEJZJMRPSA-N 1 3 340.468 -0.690 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001367601002 1133677681 /nfs/dbraw/zinc/67/76/81/1133677681.db2.gz MDCWKYBVUQIGDQ-QEJZJMRPSA-N 1 3 340.468 -0.690 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001367601262 1133677736 /nfs/dbraw/zinc/67/77/36/1133677736.db2.gz MHJKPLLALSQAPW-AWEZNQCLSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001367602834 1133680055 /nfs/dbraw/zinc/68/00/55/1133680055.db2.gz PULWWBJMHMDSEI-LSDHHAIUSA-N 1 3 342.484 -0.204 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCC(=O)N1CCCCCC1 ZINC001367607280 1133687003 /nfs/dbraw/zinc/68/70/03/1133687003.db2.gz XQSMGVVFHWMCOW-CQSZACIVSA-N 1 3 328.457 -0.593 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614441 1133695387 /nfs/dbraw/zinc/69/53/87/1133695387.db2.gz AJMKPJWXLBRBNH-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614441 1133695400 /nfs/dbraw/zinc/69/54/00/1133695400.db2.gz AJMKPJWXLBRBNH-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001367624744 1133711679 /nfs/dbraw/zinc/71/16/79/1133711679.db2.gz BYWSSBDZBKUEAY-ZIAGYGMSSA-N 1 3 326.441 -0.792 20 0 EBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C(=O)CN(C)C1CCC1 ZINC001367648938 1133729083 /nfs/dbraw/zinc/72/90/83/1133729083.db2.gz VLIMEUBRGXIYQP-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367675476 1133741441 /nfs/dbraw/zinc/74/14/41/1133741441.db2.gz LVGODFARLMMAPZ-LLVKDONJSA-N 1 3 327.429 -0.460 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367771068 1133778020 /nfs/dbraw/zinc/77/80/20/1133778020.db2.gz IFUIRHKISBRAPH-WDEREUQCSA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367771068 1133778026 /nfs/dbraw/zinc/77/80/26/1133778026.db2.gz IFUIRHKISBRAPH-WDEREUQCSA-N 1 3 325.413 -0.979 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3COCC[C@H]3O)CC2)CC1 ZINC001367907463 1133834087 /nfs/dbraw/zinc/83/40/87/1133834087.db2.gz OSZUIRFYIGQIES-HZPDHXFCSA-N 1 3 340.468 -0.006 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367998582 1133886512 /nfs/dbraw/zinc/88/65/12/1133886512.db2.gz UXPSXTKEMIDDLN-NWDGAFQWSA-N 1 3 339.440 -0.319 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367998582 1133886518 /nfs/dbraw/zinc/88/65/18/1133886518.db2.gz UXPSXTKEMIDDLN-NWDGAFQWSA-N 1 3 339.440 -0.319 20 0 EBADHO C[C@H](NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105053 1133940094 /nfs/dbraw/zinc/94/00/94/1133940094.db2.gz CWKYQKSFWDTSNL-AAEUAGOBSA-N 1 3 339.440 -0.508 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109186 1133942121 /nfs/dbraw/zinc/94/21/21/1133942121.db2.gz LDBAHPFJSWGJOO-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001368109749 1133942502 /nfs/dbraw/zinc/94/25/02/1133942502.db2.gz SQNGIOASCPPERQ-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(CCn3cccn3)C2)CC1 ZINC001368267514 1134068316 /nfs/dbraw/zinc/06/83/16/1134068316.db2.gz WINPPONWAQYOEZ-QGZVFWFLSA-N 1 3 335.452 -0.222 20 0 EBADHO COC[C@@H](O)CN1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001368374420 1134179654 /nfs/dbraw/zinc/17/96/54/1134179654.db2.gz KGRHMRYHOWLHAM-DOTOQJQBSA-N 1 3 343.468 -0.721 20 0 EBADHO C[C@@H]([NH2+]CCN(CCO)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001368397677 1134200917 /nfs/dbraw/zinc/20/09/17/1134200917.db2.gz NTWMLQFBJVDFKC-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521579 1134272903 /nfs/dbraw/zinc/27/29/03/1134272903.db2.gz VMFAJLGPBQMTEP-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001368625709 1134337516 /nfs/dbraw/zinc/33/75/16/1134337516.db2.gz ORKFMYMMQLPHDL-LZWOXQAQSA-N 1 3 331.457 -0.723 20 0 EBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001368738478 1134414917 /nfs/dbraw/zinc/41/49/17/1134414917.db2.gz YKJQNGJXJVQMOR-SRVKXCTJSA-N 1 3 329.445 -0.345 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001369184258 1134609539 /nfs/dbraw/zinc/60/95/39/1134609539.db2.gz DLFJNESDGUXYOW-LBPRGKRZSA-N 1 3 339.440 -0.412 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001369184258 1134609543 /nfs/dbraw/zinc/60/95/43/1134609543.db2.gz DLFJNESDGUXYOW-LBPRGKRZSA-N 1 3 339.440 -0.412 20 0 EBADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001369390570 1134751443 /nfs/dbraw/zinc/75/14/43/1134751443.db2.gz LPHYQVYNXNXUHS-DZGCQCFKSA-N 1 3 340.468 -0.236 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369409198 1134765845 /nfs/dbraw/zinc/76/58/45/1134765845.db2.gz XEPMTAONTOHEBL-NEPJUHHUSA-N 1 3 339.440 -0.495 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(=O)NC)C[C@@H]1C ZINC001369409328 1134766307 /nfs/dbraw/zinc/76/63/07/1134766307.db2.gz VZEDUPYFTAIQNF-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(=O)NC)C[C@@H]1C ZINC001369409328 1134766315 /nfs/dbraw/zinc/76/63/15/1134766315.db2.gz VZEDUPYFTAIQNF-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)N(C)C ZINC001369434547 1134777392 /nfs/dbraw/zinc/77/73/92/1134777392.db2.gz HOSBSFAFAPPJDA-GHMZBOCLSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001369475782 1134835074 /nfs/dbraw/zinc/83/50/74/1134835074.db2.gz SPPUESOSIKVOTE-STQMWFEESA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001369476310 1134836381 /nfs/dbraw/zinc/83/63/81/1134836381.db2.gz ZJCDOJXZWDSQNE-HNNXBMFYSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)N1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001369479562 1134844642 /nfs/dbraw/zinc/84/46/42/1134844642.db2.gz CCQKTPUPRBVKJI-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001369480870 1134845253 /nfs/dbraw/zinc/84/52/53/1134845253.db2.gz YWUFEOHHHSAQIC-HNNXBMFYSA-N 1 3 335.452 -0.043 20 0 EBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852495 1135049068 /nfs/dbraw/zinc/04/90/68/1135049068.db2.gz JBYAJIXVNMHJQI-CABCVRRESA-N 1 3 343.468 -0.315 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)C1 ZINC001370257324 1135272288 /nfs/dbraw/zinc/27/22/88/1135272288.db2.gz QJNSRPOARDRIKQ-ZYHUDNBSSA-N 1 3 325.413 -0.993 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)C1 ZINC001370257324 1135272283 /nfs/dbraw/zinc/27/22/83/1135272283.db2.gz QJNSRPOARDRIKQ-ZYHUDNBSSA-N 1 3 325.413 -0.993 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001370545023 1135402663 /nfs/dbraw/zinc/40/26/63/1135402663.db2.gz DJNJOWQAMFNUFG-BJDJZHNGSA-N 1 3 327.429 -0.607 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001371198770 1135862579 /nfs/dbraw/zinc/86/25/79/1135862579.db2.gz BCUQRJCQGRSMOQ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001371198770 1135862581 /nfs/dbraw/zinc/86/25/81/1135862581.db2.gz BCUQRJCQGRSMOQ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001371197789 1135862688 /nfs/dbraw/zinc/86/26/88/1135862688.db2.gz CCIZPARZSVEWHT-STQMWFEESA-N 1 3 331.482 0.000 20 0 EBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001371263577 1135874674 /nfs/dbraw/zinc/87/46/74/1135874674.db2.gz ZRTMKERYJYMAPX-GXTWGEPZSA-N 1 3 328.457 -0.284 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1O ZINC001371456433 1135918312 /nfs/dbraw/zinc/91/83/12/1135918312.db2.gz YATDYEUGIUPBBY-ZIAGYGMSSA-N 1 3 342.484 -0.254 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1O ZINC001371456433 1135918314 /nfs/dbraw/zinc/91/83/14/1135918314.db2.gz YATDYEUGIUPBBY-ZIAGYGMSSA-N 1 3 342.484 -0.254 20 0 EBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001371510221 1135940685 /nfs/dbraw/zinc/94/06/85/1135940685.db2.gz LBNHXJUDMUGXOP-MNOVXSKESA-N 1 3 325.413 -0.755 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001371511231 1135941556 /nfs/dbraw/zinc/94/15/56/1135941556.db2.gz YFNYRPPKSYOXFH-NSHDSACASA-N 1 3 325.413 -0.883 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001371542171 1135963614 /nfs/dbraw/zinc/96/36/14/1135963614.db2.gz XTBZSYSIXIESGN-OLZOCXBDSA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001371835848 1136030128 /nfs/dbraw/zinc/03/01/28/1136030128.db2.gz DHYFFDGZJZLFEW-GJZGRUSLSA-N 1 3 342.484 -0.254 20 0 EBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001372983919 1136346257 /nfs/dbraw/zinc/34/62/57/1136346257.db2.gz OWQDTSRPVDOIRS-AWEZNQCLSA-N 1 3 336.440 -0.663 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001373033983 1136358058 /nfs/dbraw/zinc/35/80/58/1136358058.db2.gz OYVCXXUBERJIIG-LBPRGKRZSA-N 1 3 341.456 -0.262 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001373973394 1136596732 /nfs/dbraw/zinc/59/67/32/1136596732.db2.gz IJDJXIVVABWSRZ-CYBMUJFWSA-N 1 3 339.440 -0.492 20 0 EBADHO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001374247746 1136657694 /nfs/dbraw/zinc/65/76/94/1136657694.db2.gz UGQHNDSFJBFBMU-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374350322 1136677454 /nfs/dbraw/zinc/67/74/54/1136677454.db2.gz BGHFUQPAHHOGAW-ZDUSSCGKSA-N 1 3 341.456 -0.356 20 0 EBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001374614074 1136747637 /nfs/dbraw/zinc/74/76/37/1136747637.db2.gz GHLXYMHVTOCQQG-GJZGRUSLSA-N 1 3 340.468 -0.452 20 0 EBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001374614074 1136747640 /nfs/dbraw/zinc/74/76/40/1136747640.db2.gz GHLXYMHVTOCQQG-GJZGRUSLSA-N 1 3 340.468 -0.452 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649976 1136774951 /nfs/dbraw/zinc/77/49/51/1136774951.db2.gz FABNXDNPYJVYRG-ZIAGYGMSSA-N 1 3 326.441 -0.983 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@H](O)CNCc2ccns2)CC1 ZINC001374655533 1136778761 /nfs/dbraw/zinc/77/87/61/1136778761.db2.gz DLTUUKQDQXWQMZ-GFCCVEGCSA-N 1 3 342.465 -0.179 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670922 1136789775 /nfs/dbraw/zinc/78/97/75/1136789775.db2.gz NFQMJONUXDMNSR-DZGCQCFKSA-N 1 3 340.468 -0.546 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374670922 1136789778 /nfs/dbraw/zinc/78/97/78/1136789778.db2.gz NFQMJONUXDMNSR-DZGCQCFKSA-N 1 3 340.468 -0.546 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001374672840 1136791433 /nfs/dbraw/zinc/79/14/33/1136791433.db2.gz AUHPGFRNGHHGQE-CHWSQXEVSA-N 1 3 337.424 -0.756 20 0 EBADHO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)CN2CCOCC2)on1 ZINC001374683764 1136799927 /nfs/dbraw/zinc/79/99/27/1136799927.db2.gz KAOSKMHFAFSGJG-OCCSQVGLSA-N 1 3 340.424 -0.482 20 0 EBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)CN1CCC(C)CC1 ZINC001374726118 1136815119 /nfs/dbraw/zinc/81/51/19/1136815119.db2.gz SLNJNNNLNYBGPI-ZDUSSCGKSA-N 1 3 341.456 -0.260 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001374771676 1136828660 /nfs/dbraw/zinc/82/86/60/1136828660.db2.gz PWNKFIWCNNPZPH-GHMZBOCLSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](CNCC(=O)NC[C@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001374929427 1136877801 /nfs/dbraw/zinc/87/78/01/1136877801.db2.gz CMFRHQOGRHADLD-DZGCQCFKSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000625285599 376042398 /nfs/dbraw/zinc/04/23/98/376042398.db2.gz DKQAYATVFQEVSU-CQSZACIVSA-N 1 3 338.456 -0.120 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642733342 376057763 /nfs/dbraw/zinc/05/77/63/376057763.db2.gz FUWGBTPNKZWVIS-HZSPNIEDSA-N 1 3 326.441 -0.448 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642744615 376067759 /nfs/dbraw/zinc/06/77/59/376067759.db2.gz ZZZKCMQLUNEOMM-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO O[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719235 376188510 /nfs/dbraw/zinc/18/85/10/376188510.db2.gz QIGJXFPXENHPOF-MOPGFXCFSA-N 1 3 349.475 -0.094 20 0 EBADHO O[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719235 376188513 /nfs/dbraw/zinc/18/85/13/376188513.db2.gz QIGJXFPXENHPOF-MOPGFXCFSA-N 1 3 349.475 -0.094 20 0 EBADHO CNC(=O)NC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000408033175 376290405 /nfs/dbraw/zinc/29/04/05/376290405.db2.gz IOHZESHIOKFDEJ-UONOGXRCSA-N 1 3 325.457 -0.210 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)C1 ZINC000642917936 376749739 /nfs/dbraw/zinc/74/97/39/376749739.db2.gz ICONDINHDNKWCJ-OAHLLOKOSA-N 1 3 337.468 -0.907 20 0 EBADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642929571 376790601 /nfs/dbraw/zinc/79/06/01/376790601.db2.gz DFSSBWBQHXTYOY-AWEZNQCLSA-N 1 3 331.420 -0.012 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](CN)C1 ZINC000561234629 376819002 /nfs/dbraw/zinc/81/90/02/376819002.db2.gz QLZATFJNXXWZHM-KGLIPLIRSA-N 1 3 341.500 -0.430 20 0 EBADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000561256854 376824002 /nfs/dbraw/zinc/82/40/02/376824002.db2.gz VMEKWPIXROOJRZ-UHFFFAOYSA-N 1 3 340.374 -0.057 20 0 EBADHO C[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)N1CC(C)C1 ZINC000570581233 377255651 /nfs/dbraw/zinc/25/56/51/377255651.db2.gz FBWQUIYXIKXZND-MRXNPFEDSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@@H+]1C ZINC000572790741 377291679 /nfs/dbraw/zinc/29/16/79/377291679.db2.gz LLIFKSRTOYOFEH-GJZGRUSLSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@H+]1C ZINC000572790741 377291687 /nfs/dbraw/zinc/29/16/87/377291687.db2.gz LLIFKSRTOYOFEH-GJZGRUSLSA-N 1 3 341.500 -0.463 20 0 EBADHO CCN1CCN(CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000580069403 377352761 /nfs/dbraw/zinc/35/27/61/377352761.db2.gz BTOINHISKDOHLH-HNNXBMFYSA-N 1 3 349.483 -0.040 20 0 EBADHO CN(CCC(=O)NC(=O)NCC(F)(F)F)CCN1CC[NH2+]CC1 ZINC000592472311 377837576 /nfs/dbraw/zinc/83/75/76/377837576.db2.gz XCOQPKAEPXOQNG-UHFFFAOYSA-N 1 3 339.362 -0.398 20 0 EBADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735941 377910330 /nfs/dbraw/zinc/91/03/30/377910330.db2.gz AIRMZZYNFWMMHF-MJBXVCDLSA-N 1 3 327.425 -0.116 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879657 377966608 /nfs/dbraw/zinc/96/66/08/377966608.db2.gz FTKXHFXRGNSBLL-ZNMIVQPWSA-N 1 3 336.436 -0.600 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)CCN2C1=O ZINC000594879657 377966615 /nfs/dbraw/zinc/96/66/15/377966615.db2.gz FTKXHFXRGNSBLL-ZNMIVQPWSA-N 1 3 336.436 -0.600 20 0 EBADHO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000596692454 378068462 /nfs/dbraw/zinc/06/84/62/378068462.db2.gz GVZYTBRFLYBLMT-KBPBESRZSA-N 1 3 344.456 -0.158 20 0 EBADHO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000596692454 378068466 /nfs/dbraw/zinc/06/84/66/378068466.db2.gz GVZYTBRFLYBLMT-KBPBESRZSA-N 1 3 344.456 -0.158 20 0 EBADHO C[N@@H+]1CCN(CCNC(=O)NCCN2CC[C@H](O)C2)CC1(C)C ZINC000637123150 378497729 /nfs/dbraw/zinc/49/77/29/378497729.db2.gz VCSUFUWHANOVAB-AWEZNQCLSA-N 1 3 327.473 -0.622 20 0 EBADHO C[N@H+]1CCN(CCNC(=O)NCCN2CC[C@H](O)C2)CC1(C)C ZINC000637123150 378497734 /nfs/dbraw/zinc/49/77/34/378497734.db2.gz VCSUFUWHANOVAB-AWEZNQCLSA-N 1 3 327.473 -0.622 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(C(=O)CN(C)C)CC2)CC1 ZINC000338002468 378725372 /nfs/dbraw/zinc/72/53/72/378725372.db2.gz VCTWNNBSEJZBBY-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339967806 379111646 /nfs/dbraw/zinc/11/16/46/379111646.db2.gz ZJEYUPDRKWRUOM-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339967806 379111691 /nfs/dbraw/zinc/11/16/91/379111691.db2.gz ZJEYUPDRKWRUOM-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000629793878 379137398 /nfs/dbraw/zinc/13/73/98/379137398.db2.gz MQTUMSVGNFPBGQ-CQSZACIVSA-N 1 3 342.484 -0.131 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000629798505 379142874 /nfs/dbraw/zinc/14/28/74/379142874.db2.gz XQWRIIDRDQJFET-HNNXBMFYSA-N 1 3 339.484 -0.578 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000629798505 379142878 /nfs/dbraw/zinc/14/28/78/379142878.db2.gz XQWRIIDRDQJFET-HNNXBMFYSA-N 1 3 339.484 -0.578 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[NH2+]1 ZINC000627479222 379190216 /nfs/dbraw/zinc/19/02/16/379190216.db2.gz YHONKHHJOSZWIW-QLFBSQMISA-N 1 3 340.468 -0.188 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627302722 379234161 /nfs/dbraw/zinc/23/41/61/379234161.db2.gz WPGUSUZIDLPUCZ-TZMCWYRMSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)ccn1 ZINC000627306267 379279146 /nfs/dbraw/zinc/27/91/46/379279146.db2.gz UXPSJSOUELNWBS-CYBMUJFWSA-N 1 3 335.408 -0.884 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000627314932 379314359 /nfs/dbraw/zinc/31/43/59/379314359.db2.gz QNXLIQNDDMTODA-UHFFFAOYSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[NH2+]1 ZINC000627334037 379350875 /nfs/dbraw/zinc/35/08/75/379350875.db2.gz DAEXHLUDPGYYBD-ZIAGYGMSSA-N 1 3 339.484 -0.615 20 0 EBADHO C[C@H](O)CN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000478869631 379437622 /nfs/dbraw/zinc/43/76/22/379437622.db2.gz HDNRSYOMDUSFSJ-HNNXBMFYSA-N 1 3 341.500 -0.280 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028716 379398950 /nfs/dbraw/zinc/39/89/50/379398950.db2.gz VBNFFHAKAMWEQJ-XJKSGUPXSA-N 1 3 326.441 -0.637 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627393133 379581635 /nfs/dbraw/zinc/58/16/35/379581635.db2.gz PRAQPBUWMTVAAC-GFCCVEGCSA-N 1 3 326.441 -0.530 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000627398633 379583864 /nfs/dbraw/zinc/58/38/64/379583864.db2.gz RTAKLDBCVLVULT-SOUVJXGZSA-N 1 3 339.484 -0.757 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000627427407 379593238 /nfs/dbraw/zinc/59/32/38/379593238.db2.gz DNAVPTISSZGVRP-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)C[NH2+]1 ZINC000627364299 379566697 /nfs/dbraw/zinc/56/66/97/379566697.db2.gz MBTWGLPDCVJIRU-CABCVRRESA-N 1 3 339.484 -0.613 20 0 EBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C[NH2+]1 ZINC000627476654 379624685 /nfs/dbraw/zinc/62/46/85/379624685.db2.gz IWOUSTJLSOBICZ-UONOGXRCSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C[NH2+]1 ZINC000627476652 379625596 /nfs/dbraw/zinc/62/55/96/379625596.db2.gz IWOUSTJLSOBICZ-KBPBESRZSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)O1)N(C)C ZINC000495014169 379700428 /nfs/dbraw/zinc/70/04/28/379700428.db2.gz BVWBNCJDWGTBBD-SYQHCUMBSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)O1)N(C)C ZINC000495014169 379700434 /nfs/dbraw/zinc/70/04/34/379700434.db2.gz BVWBNCJDWGTBBD-SYQHCUMBSA-N 1 3 328.457 -0.333 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000627028188 379782209 /nfs/dbraw/zinc/78/22/09/379782209.db2.gz HTZFSCBURSNZOK-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627173777 379821514 /nfs/dbraw/zinc/82/15/14/379821514.db2.gz FFQNUDKWLZNLKF-CVEARBPZSA-N 1 3 341.500 -0.110 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1COCCN1 ZINC000627186221 379825213 /nfs/dbraw/zinc/82/52/13/379825213.db2.gz QVMCPNNBYYBEIG-CQSZACIVSA-N 1 3 327.473 -0.358 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1COCCN1 ZINC000627186221 379825217 /nfs/dbraw/zinc/82/52/17/379825217.db2.gz QVMCPNNBYYBEIG-CQSZACIVSA-N 1 3 327.473 -0.358 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCCN1 ZINC000627186221 379825222 /nfs/dbraw/zinc/82/52/22/379825222.db2.gz QVMCPNNBYYBEIG-CQSZACIVSA-N 1 3 327.473 -0.358 20 0 EBADHO CN(C(=O)NC[C@@H]1COCCN1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190184 379826421 /nfs/dbraw/zinc/82/64/21/379826421.db2.gz YCUKNGHDBUFCBI-GDBMZVCRSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@@H]1COCCN1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627190184 379826429 /nfs/dbraw/zinc/82/64/29/379826429.db2.gz YCUKNGHDBUFCBI-GDBMZVCRSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@@H]1COCCN1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627190184 379826434 /nfs/dbraw/zinc/82/64/34/379826434.db2.gz YCUKNGHDBUFCBI-GDBMZVCRSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@H]1COCCN1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190186 379827663 /nfs/dbraw/zinc/82/76/63/379827663.db2.gz YCUKNGHDBUFCBI-HOCLYGCPSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@H]1COCCN1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627190186 379827669 /nfs/dbraw/zinc/82/76/69/379827669.db2.gz YCUKNGHDBUFCBI-HOCLYGCPSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@H]1COCCN1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627190186 379827673 /nfs/dbraw/zinc/82/76/73/379827673.db2.gz YCUKNGHDBUFCBI-HOCLYGCPSA-N 1 3 339.484 -0.215 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000633087169 379930582 /nfs/dbraw/zinc/93/05/82/379930582.db2.gz BZWYMLCVAVVXOA-XHSDSOJGSA-N 1 3 349.479 -0.812 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000545884391 380099278 /nfs/dbraw/zinc/09/92/78/380099278.db2.gz MTYBEDQVUYZWCC-WMLDXEAASA-N 1 3 340.468 -0.147 20 0 EBADHO COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCCN1 ZINC000638089333 380115887 /nfs/dbraw/zinc/11/58/87/380115887.db2.gz NXUFYTKCVQNBOP-RHSMWYFYSA-N 1 3 340.468 -0.151 20 0 EBADHO COC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCCN1 ZINC000638089333 380115890 /nfs/dbraw/zinc/11/58/90/380115890.db2.gz NXUFYTKCVQNBOP-RHSMWYFYSA-N 1 3 340.468 -0.151 20 0 EBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000638097558 380130229 /nfs/dbraw/zinc/13/02/29/380130229.db2.gz FYOIFUHKPHCHIZ-YOEHRIQHSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000355276396 380177913 /nfs/dbraw/zinc/17/79/13/380177913.db2.gz HRBIVDUAAWCYGU-AWEZNQCLSA-N 1 3 341.500 -0.415 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccncc1 ZINC000550425871 380255905 /nfs/dbraw/zinc/25/59/05/380255905.db2.gz RUEBEGFVALJQFA-UHFFFAOYSA-N 1 3 335.452 -0.308 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245203953 380238279 /nfs/dbraw/zinc/23/82/79/380238279.db2.gz PWNRPHJDMNONIO-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245203953 380238286 /nfs/dbraw/zinc/23/82/86/380238286.db2.gz PWNRPHJDMNONIO-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CS1 ZINC000564820265 380381348 /nfs/dbraw/zinc/38/13/48/380381348.db2.gz ZMEUUGUJRMXGRC-CHWSQXEVSA-N 1 3 330.498 -0.052 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCCO1 ZINC000554250000 380339223 /nfs/dbraw/zinc/33/92/23/380339223.db2.gz RBTDRTNYJIZFST-INIZCTEOSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825944 380436036 /nfs/dbraw/zinc/43/60/36/380436036.db2.gz LABMEIMLCUBAIF-TZMCWYRMSA-N 1 3 336.440 -0.303 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825944 380436044 /nfs/dbraw/zinc/43/60/44/380436044.db2.gz LABMEIMLCUBAIF-TZMCWYRMSA-N 1 3 336.440 -0.303 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249814 380411260 /nfs/dbraw/zinc/41/12/60/380411260.db2.gz JHIWIYWUSMRALB-LSDHHAIUSA-N 1 3 335.452 -0.186 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563634 380411370 /nfs/dbraw/zinc/41/13/70/380411370.db2.gz AXOJSFGEUSUOBJ-GJZGRUSLSA-N 1 3 349.483 -0.042 20 0 EBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638441587 380474544 /nfs/dbraw/zinc/47/45/44/380474544.db2.gz XUXXLVVKGQILJK-ZENOOKHLSA-N 1 3 348.451 -0.359 20 0 EBADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638441577 380474955 /nfs/dbraw/zinc/47/49/55/380474955.db2.gz XUXXLVVKGQILJK-IOASZLSFSA-N 1 3 348.451 -0.359 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](CN)C1 ZINC000567598288 380529831 /nfs/dbraw/zinc/52/98/31/380529831.db2.gz WYVPAEZRILWBOM-YMAMQOFZSA-N 1 3 339.484 -0.676 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000567974165 380562899 /nfs/dbraw/zinc/56/28/99/380562899.db2.gz UCIJUSIMPPJAPC-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO CN(C)CCOCC[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000572751984 380643691 /nfs/dbraw/zinc/64/36/91/380643691.db2.gz XYGNYCJNJIFAAJ-CYBMUJFWSA-N 1 3 335.404 -0.189 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287769 380593841 /nfs/dbraw/zinc/59/38/41/380593841.db2.gz JPWSRTGWJIYJFP-BMFZPTHFSA-N 1 3 343.431 -0.173 20 0 EBADHO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)N2CCN(C)CC2)CC1 ZINC000121004848 380594495 /nfs/dbraw/zinc/59/44/95/380594495.db2.gz SGOIUXUWEXZJET-OAHLLOKOSA-N 1 3 326.485 -0.215 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492048 380604375 /nfs/dbraw/zinc/60/43/75/380604375.db2.gz AFULYESVXTXWPX-CRWXNKLISA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568492048 380604379 /nfs/dbraw/zinc/60/43/79/380604379.db2.gz AFULYESVXTXWPX-CRWXNKLISA-N 1 3 338.452 -0.089 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNc2ccncc2)C1 ZINC000341161469 380674317 /nfs/dbraw/zinc/67/43/17/380674317.db2.gz KQLWLBOLZFUXRF-AWEZNQCLSA-N 1 3 348.451 -0.198 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCNc2ccncc2)C1 ZINC000341161469 380674325 /nfs/dbraw/zinc/67/43/25/380674325.db2.gz KQLWLBOLZFUXRF-AWEZNQCLSA-N 1 3 348.451 -0.198 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000577486645 380824665 /nfs/dbraw/zinc/82/46/65/380824665.db2.gz LAHIAOQSIHTSNV-OAHLLOKOSA-N 1 3 341.500 -0.428 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000580632303 380806043 /nfs/dbraw/zinc/80/60/43/380806043.db2.gz AHLYRUKCNNABSW-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO CN1CCC(n2cc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000638977546 380839642 /nfs/dbraw/zinc/83/96/42/380839642.db2.gz MGRBUOAFDHAPIH-AWEZNQCLSA-N 1 3 334.424 -0.044 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000578448833 380930240 /nfs/dbraw/zinc/93/02/40/380930240.db2.gz PBTKHGKISHMXFN-ZDUSSCGKSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000376107000 380891155 /nfs/dbraw/zinc/89/11/55/380891155.db2.gz OHTZLGUWKOOESY-OLZOCXBDSA-N 1 3 335.456 -0.600 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000376107000 380891157 /nfs/dbraw/zinc/89/11/57/380891157.db2.gz OHTZLGUWKOOESY-OLZOCXBDSA-N 1 3 335.456 -0.600 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000579175739 380975572 /nfs/dbraw/zinc/97/55/72/380975572.db2.gz ZDHOXXGUJJUTKE-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO COC1CCN(C2(CNC(=O)C(=O)NC3C[NH2+]C3)CCCC2)CC1 ZINC000578731123 380948432 /nfs/dbraw/zinc/94/84/32/380948432.db2.gz IKZAPXOBASQMME-UHFFFAOYSA-N 1 3 338.452 -0.386 20 0 EBADHO COCCCN(C)CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417745772 380986902 /nfs/dbraw/zinc/98/69/02/380986902.db2.gz FLVQBSGGTDGAGG-HNNXBMFYSA-N 1 3 327.473 -0.356 20 0 EBADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417758928 380993313 /nfs/dbraw/zinc/99/33/13/380993313.db2.gz VPGQOZFENJMGAO-CQSZACIVSA-N 1 3 343.472 -0.549 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000617503541 381032997 /nfs/dbraw/zinc/03/29/97/381032997.db2.gz NWAZBSHWQZDKRP-LBPRGKRZSA-N 1 3 341.456 -0.295 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000617503541 381033004 /nfs/dbraw/zinc/03/30/04/381033004.db2.gz NWAZBSHWQZDKRP-LBPRGKRZSA-N 1 3 341.456 -0.295 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CSCCN1 ZINC000193706833 381042659 /nfs/dbraw/zinc/04/26/59/381042659.db2.gz MFAKMIFCPRYSDD-STQMWFEESA-N 1 3 328.482 -0.072 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(O)(CO)C3)CC2)CC1 ZINC000615434304 381093785 /nfs/dbraw/zinc/09/37/85/381093785.db2.gz BCAODEADQYEYQY-UHFFFAOYSA-N 1 3 325.453 -0.252 20 0 EBADHO CN1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000581874256 381104252 /nfs/dbraw/zinc/10/42/52/381104252.db2.gz ZPPNXWHSJVKKDF-CQSZACIVSA-N 1 3 326.489 -0.703 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418373227 381111653 /nfs/dbraw/zinc/11/16/53/381111653.db2.gz ZLBYLBPLBAHILM-ZIAGYGMSSA-N 1 3 325.457 -0.210 20 0 EBADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000583312829 381125916 /nfs/dbraw/zinc/12/59/16/381125916.db2.gz QRKAGDWQXPNEGJ-UHFFFAOYSA-N 1 3 349.435 -0.145 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000584770061 381209717 /nfs/dbraw/zinc/20/97/17/381209717.db2.gz LGUCJZULUOLBCY-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[NH2+]CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418467018 381241480 /nfs/dbraw/zinc/24/14/80/381241480.db2.gz FKGSMRMSBRDYPZ-UHFFFAOYSA-N 1 3 325.457 -0.064 20 0 EBADHO C[C@H](CNC(=O)[C@@H](C)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000347663401 381242222 /nfs/dbraw/zinc/24/22/22/381242222.db2.gz DYJFXACITDPNPM-CVEARBPZSA-N 1 3 326.485 -0.046 20 0 EBADHO CN(C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)Cc1ccccc1 ZINC000418827241 381286511 /nfs/dbraw/zinc/28/65/11/381286511.db2.gz BZCUUJIEMNOQRU-HNNXBMFYSA-N 1 3 336.436 -0.945 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000418833975 381289503 /nfs/dbraw/zinc/28/95/03/381289503.db2.gz LLWFZVNYQSJKMI-KBPBESRZSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)N(C)Cc1ccccc1 ZINC000418953798 381350662 /nfs/dbraw/zinc/35/06/62/381350662.db2.gz VPHFCUYSYBTOND-GDBMZVCRSA-N 1 3 348.447 -0.272 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419022788 381355384 /nfs/dbraw/zinc/35/53/84/381355384.db2.gz IRGQRLJTOLPGNU-KFWWJZLASA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419023477 381356490 /nfs/dbraw/zinc/35/64/90/381356490.db2.gz 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ZINC000419451555 381441861 /nfs/dbraw/zinc/44/18/61/381441861.db2.gz NOGBWSMLWSAWDB-KGLIPLIRSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419456375 381442136 /nfs/dbraw/zinc/44/21/36/381442136.db2.gz ZSUREPHMQUVSJP-OLZOCXBDSA-N 1 3 344.456 -0.700 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419456375 381442140 /nfs/dbraw/zinc/44/21/40/381442140.db2.gz ZSUREPHMQUVSJP-OLZOCXBDSA-N 1 3 344.456 -0.700 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419456375 381442145 /nfs/dbraw/zinc/44/21/45/381442145.db2.gz ZSUREPHMQUVSJP-OLZOCXBDSA-N 1 3 344.456 -0.700 20 0 EBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCC[NH3+])CC1 ZINC000419330007 381418951 /nfs/dbraw/zinc/41/89/51/381418951.db2.gz FUWWXJFSRGKQOY-UHFFFAOYSA-N 1 3 347.463 -0.485 20 0 EBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419692466 381473180 /nfs/dbraw/zinc/47/31/80/381473180.db2.gz GRTIWEXIIMAUDV-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419692463 381473371 /nfs/dbraw/zinc/47/33/71/381473371.db2.gz GRTIWEXIIMAUDV-CABCVRRESA-N 1 3 340.468 -0.201 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419679953 381481037 /nfs/dbraw/zinc/48/10/37/381481037.db2.gz QICHPUDBNIPCOJ-KKUMJFAQSA-N 1 3 340.468 -0.343 20 0 EBADHO CN(C)C1(CN(C)C(=O)C(=O)NCCCN2CC[NH2+]CC2)CCC1 ZINC000419846875 381504728 /nfs/dbraw/zinc/50/47/28/381504728.db2.gz AMVSCQXWLTUCHA-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419859390 381510230 /nfs/dbraw/zinc/51/02/30/381510230.db2.gz YXASCPLXROYNFB-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH3+] ZINC000419828903 381499494 /nfs/dbraw/zinc/49/94/94/381499494.db2.gz DEEYNLPKUUYQQR-OAHLLOKOSA-N 1 3 333.436 -0.031 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420115575 381543041 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338.452 -0.575 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859032 381686673 /nfs/dbraw/zinc/68/66/73/381686673.db2.gz ZLDXEBPCWWNJSI-VXGBXAGGSA-N 1 3 334.424 -0.507 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN1C(=O)CCC1=O ZINC000563922471 382088622 /nfs/dbraw/zinc/08/86/22/382088622.db2.gz FNOQEENKXDSGTA-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO CNC(=O)NC(=O)CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261652303 154196628 /nfs/dbraw/zinc/19/66/28/154196628.db2.gz JTDFSBUTGUUVOC-QWHCGFSZSA-N 1 3 339.440 -0.588 20 0 EBADHO CN(CCN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1)Cc1ccccc1 ZINC000262368632 154228463 /nfs/dbraw/zinc/22/84/63/154228463.db2.gz JTJXTCPNEPBLQT-QZTJIDSGSA-N 1 3 346.475 -0.015 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000263116242 154254646 /nfs/dbraw/zinc/25/46/46/154254646.db2.gz FXTOFPWPYQSEEM-HNNXBMFYSA-N 1 3 340.468 -0.153 20 0 EBADHO CN(C)C[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000265134509 154308810 /nfs/dbraw/zinc/30/88/10/154308810.db2.gz JVERVNIKJTWMFC-CYBMUJFWSA-N 1 3 348.451 -0.293 20 0 EBADHO CN(C)C[C@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000265134509 154308814 /nfs/dbraw/zinc/30/88/14/154308814.db2.gz JVERVNIKJTWMFC-CYBMUJFWSA-N 1 3 348.451 -0.293 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1)N(C)C1CC1 ZINC000342099620 156007103 /nfs/dbraw/zinc/00/71/03/156007103.db2.gz BMQYKLBCPDWFPO-CYBMUJFWSA-N 1 3 340.468 -0.594 20 0 EBADHO COC(=O)[C@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000343594174 156146954 /nfs/dbraw/zinc/14/69/54/156146954.db2.gz HMDGARLCOPLCSN-KBPBESRZSA-N 1 3 328.409 -0.007 20 0 EBADHO COC(=O)[C@H]1CCN(CCOCC[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000343594174 156146959 /nfs/dbraw/zinc/14/69/59/156146959.db2.gz HMDGARLCOPLCSN-KBPBESRZSA-N 1 3 328.409 -0.007 20 0 EBADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000343684929 156155914 /nfs/dbraw/zinc/15/59/14/156155914.db2.gz LWJUOZBOCKNLNY-NVXWUHKLSA-N 1 3 336.480 -0.007 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344630034 156249363 /nfs/dbraw/zinc/24/93/63/156249363.db2.gz LYHDBVSQBJNAFC-UHFFFAOYSA-N 1 3 340.468 -0.639 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345245009 156315901 /nfs/dbraw/zinc/31/59/01/156315901.db2.gz COWRVMMDAVRAAL-KZNAEPCWSA-N 1 3 349.523 -0.139 20 0 EBADHO C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356654037 157083343 /nfs/dbraw/zinc/08/33/43/157083343.db2.gz VUJKWMJBAAIOGX-MRXNPFEDSA-N 1 3 327.517 -0.036 20 0 EBADHO C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356654037 157083348 /nfs/dbraw/zinc/08/33/48/157083348.db2.gz VUJKWMJBAAIOGX-MRXNPFEDSA-N 1 3 327.517 -0.036 20 0 EBADHO C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000356654037 157083352 /nfs/dbraw/zinc/08/33/52/157083352.db2.gz VUJKWMJBAAIOGX-MRXNPFEDSA-N 1 3 327.517 -0.036 20 0 EBADHO COC[C@]1(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCC[NH2+]1 ZINC000357256276 157129640 /nfs/dbraw/zinc/12/96/40/157129640.db2.gz KCRCCYLLVYHBET-XJKSGUPXSA-N 1 3 326.441 -0.719 20 0 EBADHO CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@@H](C[NH3+])C1 ZINC000359210013 157302681 /nfs/dbraw/zinc/30/26/81/157302681.db2.gz IOXIVYWQWJULHP-MGPQQGTHSA-N 1 3 326.441 -0.639 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000360278096 157371629 /nfs/dbraw/zinc/37/16/29/157371629.db2.gz HGMDREVMJRUKFZ-HNNXBMFYSA-N 1 3 340.468 -0.375 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278392 157371654 /nfs/dbraw/zinc/37/16/54/157371654.db2.gz IWAYSNNMKUCPAS-TZMCWYRMSA-N 1 3 326.441 -0.720 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000360278438 157372637 /nfs/dbraw/zinc/37/26/37/157372637.db2.gz JSKMNDFYSPUIMG-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115396 418989688 /nfs/dbraw/zinc/98/96/88/418989688.db2.gz NRPJDRDJOIGFIN-VBQJREDUSA-N 1 3 338.452 -0.719 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662930884 419006534 /nfs/dbraw/zinc/00/65/34/419006534.db2.gz WZKCJXLBVOEFAI-CYBMUJFWSA-N 1 3 328.457 -0.249 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650920115 419089101 /nfs/dbraw/zinc/08/91/01/419089101.db2.gz NUEYZQHVVJKSHM-UHFFFAOYSA-N 1 3 343.472 -0.630 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650920115 419089105 /nfs/dbraw/zinc/08/91/05/419089105.db2.gz NUEYZQHVVJKSHM-UHFFFAOYSA-N 1 3 343.472 -0.630 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000647594195 419121315 /nfs/dbraw/zinc/12/13/15/419121315.db2.gz PIPXCAFZNAIKGK-IHRRRGAJSA-N 1 3 339.484 -0.487 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C[C@H]1C[NH3+] ZINC000652682146 419251223 /nfs/dbraw/zinc/25/12/23/419251223.db2.gz CDKJUHNVGLYOGM-RRFJBIMHSA-N 1 3 340.468 -0.201 20 0 EBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CNCCO2)c1 ZINC000647700610 419213451 /nfs/dbraw/zinc/21/34/51/419213451.db2.gz QHADHPPPRMDMOE-LBPRGKRZSA-N 1 3 342.421 -0.759 20 0 EBADHO CC1(OCC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CNC1 ZINC000647703149 419215883 /nfs/dbraw/zinc/21/58/83/419215883.db2.gz RIWSYSHCKFBVIU-UHFFFAOYSA-N 1 3 342.421 -0.759 20 0 EBADHO Cn1c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361659 419233636 /nfs/dbraw/zinc/23/36/36/419233636.db2.gz LWLMFBWMHBKCRV-NWANDNLSSA-N 1 3 336.436 -0.055 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340418340 419355880 /nfs/dbraw/zinc/35/58/80/419355880.db2.gz AJPYFDDTJNXBOK-WFASDCNBSA-N 1 3 330.498 -0.004 20 0 EBADHO COCCN1CC[C@H](NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000415953028 419420196 /nfs/dbraw/zinc/42/01/96/419420196.db2.gz MAQBAWFNRDXYTL-ZDUSSCGKSA-N 1 3 349.439 -0.272 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(C)(C)O1 ZINC000519689741 419538272 /nfs/dbraw/zinc/53/82/72/419538272.db2.gz OIIOUFBOIBTLDS-AWEZNQCLSA-N 1 3 342.484 -0.036 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000526132198 419596504 /nfs/dbraw/zinc/59/65/04/419596504.db2.gz BRVZBJGGPMROGT-UHFFFAOYSA-N 1 3 337.424 -0.724 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)CCO1 ZINC000659716764 419787337 /nfs/dbraw/zinc/78/73/37/419787337.db2.gz CKWPXZXFXHINEE-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659736191 419801569 /nfs/dbraw/zinc/80/15/69/419801569.db2.gz LRGAJAVBHYYHTQ-DZGCQCFKSA-N 1 3 338.452 -0.304 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC000659740645 419805121 /nfs/dbraw/zinc/80/51/21/419805121.db2.gz JHJOIPGPRSYMPI-ZNMIVQPWSA-N 1 3 340.468 -0.202 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420008632 419830248 /nfs/dbraw/zinc/83/02/48/419830248.db2.gz DKJPBZIZRVHEES-KBPBESRZSA-N 1 3 328.457 -0.345 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000420021812 419837954 /nfs/dbraw/zinc/83/79/54/419837954.db2.gz IRHTXLRAXDYYIB-KSSFIOAISA-N 1 3 348.447 -0.455 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422491109 419895589 /nfs/dbraw/zinc/89/55/89/419895589.db2.gz NNGHBFRBGHVQBJ-HNNXBMFYSA-N 1 3 342.484 -0.129 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422491109 419895593 /nfs/dbraw/zinc/89/55/93/419895593.db2.gz NNGHBFRBGHVQBJ-HNNXBMFYSA-N 1 3 342.484 -0.129 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423214375 419926673 /nfs/dbraw/zinc/92/66/73/419926673.db2.gz OVFAWEKHGRCQON-ZIAGYGMSSA-N 1 3 326.441 -0.495 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423260651 419926692 /nfs/dbraw/zinc/92/66/92/419926692.db2.gz HWKPBGUTORGLDR-KGLIPLIRSA-N 1 3 326.441 -0.909 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000659318588 420529128 /nfs/dbraw/zinc/52/91/28/420529128.db2.gz OUQNUXZAFGNHFM-KRWDZBQOSA-N 1 3 340.468 -0.423 20 0 EBADHO C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000532608758 420602363 /nfs/dbraw/zinc/60/23/63/420602363.db2.gz ZNGOOCPOSVETEF-CYBMUJFWSA-N 1 3 336.440 -0.159 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000649350680 420804351 /nfs/dbraw/zinc/80/43/51/420804351.db2.gz YJTPRUZEUGULAP-HUUCEWRRSA-N 1 3 349.483 -0.214 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000649689622 420812327 /nfs/dbraw/zinc/81/23/27/420812327.db2.gz VVWSPNWTIWUTAK-UHFFFAOYSA-N 1 3 339.484 -0.707 20 0 EBADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000656696500 420900905 /nfs/dbraw/zinc/90/09/05/420900905.db2.gz HKPAOLSEBBFBCE-MRXNPFEDSA-N 1 3 326.485 -0.073 20 0 EBADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000656696500 420900908 /nfs/dbraw/zinc/90/09/08/420900908.db2.gz HKPAOLSEBBFBCE-MRXNPFEDSA-N 1 3 326.485 -0.073 20 0 EBADHO NC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(F)(F)F ZINC000655913625 420858597 /nfs/dbraw/zinc/85/85/97/420858597.db2.gz BQYOJDXZJJYTQO-VHSXEESVSA-N 1 3 339.362 -0.237 20 0 EBADHO NC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C(F)(F)F ZINC000655913625 420858601 /nfs/dbraw/zinc/85/86/01/420858601.db2.gz BQYOJDXZJJYTQO-VHSXEESVSA-N 1 3 339.362 -0.237 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cn(C)c(=O)n(C)c1=O ZINC000657574568 420928676 /nfs/dbraw/zinc/92/86/76/420928676.db2.gz ZXGJTSBYADWZRF-ZDUSSCGKSA-N 1 3 325.457 -0.554 20 0 EBADHO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000659681832 421013873 /nfs/dbraw/zinc/01/38/73/421013873.db2.gz BMZPQBBFVBTKRU-ZDUSSCGKSA-N 1 3 325.457 -0.922 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000659679287 421014082 /nfs/dbraw/zinc/01/40/82/421014082.db2.gz GMZCMHRBFWBOMZ-GFCCVEGCSA-N 1 3 337.424 -0.638 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000659689617 421015285 /nfs/dbraw/zinc/01/52/85/421015285.db2.gz GISBJZFAKJTGOX-OAHLLOKOSA-N 1 3 341.500 -0.382 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000659706695 421016733 /nfs/dbraw/zinc/01/67/33/421016733.db2.gz AHPYWVKJULICJD-LBPRGKRZSA-N 1 3 328.457 -0.284 20 0 EBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659724429 421022360 /nfs/dbraw/zinc/02/23/60/421022360.db2.gz VYONYLPNIVFNCE-CABCVRRESA-N 1 3 340.468 -0.010 20 0 EBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659724431 421022520 /nfs/dbraw/zinc/02/25/20/421022520.db2.gz VYONYLPNIVFNCE-HUUCEWRRSA-N 1 3 340.468 -0.010 20 0 EBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659739374 421025780 /nfs/dbraw/zinc/02/57/80/421025780.db2.gz RVDISRUAQMVCEO-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(CC[NH2+]C1(CO)CCNCC1)N1CCN(c2ccccn2)CC1 ZINC000662286843 421083449 /nfs/dbraw/zinc/08/34/49/421083449.db2.gz MZANYGWBCBCBOO-UHFFFAOYSA-N 1 3 347.463 -0.176 20 0 EBADHO COCc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C)n1 ZINC000664315485 421153273 /nfs/dbraw/zinc/15/32/73/421153273.db2.gz RSHCFEHVCCHMPW-LBPRGKRZSA-N 1 3 326.445 -0.037 20 0 EBADHO COCc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C)n1 ZINC000664315485 421153277 /nfs/dbraw/zinc/15/32/77/421153277.db2.gz RSHCFEHVCCHMPW-LBPRGKRZSA-N 1 3 326.445 -0.037 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(=O)N1CCOCC1 ZINC000664590637 421158900 /nfs/dbraw/zinc/15/89/00/421158900.db2.gz GNJHBRRLQZCNFW-AWEZNQCLSA-N 1 3 343.472 -0.584 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(=O)N1CCOCC1 ZINC000664590637 421158903 /nfs/dbraw/zinc/15/89/03/421158903.db2.gz GNJHBRRLQZCNFW-AWEZNQCLSA-N 1 3 343.472 -0.584 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1CS(=O)(=O)C1 ZINC000664731043 421162036 /nfs/dbraw/zinc/16/20/36/421162036.db2.gz XXLQLURVNNVODX-ZDUSSCGKSA-N 1 3 348.513 -0.008 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1CS(=O)(=O)C1 ZINC000664731043 421162037 /nfs/dbraw/zinc/16/20/37/421162037.db2.gz XXLQLURVNNVODX-ZDUSSCGKSA-N 1 3 348.513 -0.008 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000355427927 421192833 /nfs/dbraw/zinc/19/28/33/421192833.db2.gz VAPQRDQWRJLYLK-ZDUSSCGKSA-N 1 3 336.440 -0.160 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419413120 264864174 /nfs/dbraw/zinc/86/41/74/264864174.db2.gz RRJNCTNXZSUHBX-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423390128 265002883 /nfs/dbraw/zinc/00/28/83/265002883.db2.gz VUJAMGGOPQCFJB-CHWSQXEVSA-N 1 3 347.419 -0.456 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546422 265075022 /nfs/dbraw/zinc/07/50/22/265075022.db2.gz NGAQOCJURXKTIN-LSDHHAIUSA-N 1 3 348.451 -0.773 20 0 EBADHO C[C@@H]1[C@H](N(C)CCO)CC[N@@H+]1C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000429172020 265133027 /nfs/dbraw/zinc/13/30/27/265133027.db2.gz JGFKTULJXQCMPF-WRQOLXDDSA-N 1 3 329.485 -0.157 20 0 EBADHO C[C@@H]1[C@H](N(C)CCO)CC[N@H+]1C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000429172020 265133028 /nfs/dbraw/zinc/13/30/28/265133028.db2.gz JGFKTULJXQCMPF-WRQOLXDDSA-N 1 3 329.485 -0.157 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430895039 265155939 /nfs/dbraw/zinc/15/59/39/265155939.db2.gz RNIRJWKMRILAED-ZIAGYGMSSA-N 1 3 326.441 -0.541 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430895039 265155936 /nfs/dbraw/zinc/15/59/36/265155936.db2.gz RNIRJWKMRILAED-ZIAGYGMSSA-N 1 3 326.441 -0.541 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430874717 265157115 /nfs/dbraw/zinc/15/71/15/265157115.db2.gz GOZQPSJOROOHGE-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2CSCCN2)C1 ZINC000434867561 265216144 /nfs/dbraw/zinc/21/61/44/265216144.db2.gz FNLVTNJKUCVWLN-QWHCGFSZSA-N 1 3 328.482 -0.215 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2CSCCN2)C1 ZINC000434867561 265216146 /nfs/dbraw/zinc/21/61/46/265216146.db2.gz FNLVTNJKUCVWLN-QWHCGFSZSA-N 1 3 328.482 -0.215 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)NCCOCC[NH+](C)C ZINC000471647306 265486675 /nfs/dbraw/zinc/48/66/75/265486675.db2.gz GKBOSQUSTGZWML-UHFFFAOYSA-N 1 3 329.489 -0.157 20 0 EBADHO NC(=O)N[C@@H]1CCN(CCCCC[N@@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC000342873065 295085618 /nfs/dbraw/zinc/08/56/18/295085618.db2.gz FDMWLRXSEBNFQL-CHWSQXEVSA-N 1 3 326.445 -0.358 20 0 EBADHO NC(=O)N[C@@H]1CCN(CCCCC[N@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC000342873065 295085621 /nfs/dbraw/zinc/08/56/21/295085621.db2.gz FDMWLRXSEBNFQL-CHWSQXEVSA-N 1 3 326.445 -0.358 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672011030 545743753 /nfs/dbraw/zinc/74/37/53/545743753.db2.gz QAWYUIYKNODVTQ-AWEZNQCLSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000667812051 546063719 /nfs/dbraw/zinc/06/37/19/546063719.db2.gz CBXADQLELYXQEU-STQMWFEESA-N 1 3 339.440 -0.541 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000667812051 546063724 /nfs/dbraw/zinc/06/37/24/546063724.db2.gz CBXADQLELYXQEU-STQMWFEESA-N 1 3 339.440 -0.541 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000673351076 546137560 /nfs/dbraw/zinc/13/75/60/546137560.db2.gz JJVBYOVVJVDVKC-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO O[C@@H]1C[C@H](O)CN(Cc2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2)C1 ZINC000674495229 546166793 /nfs/dbraw/zinc/16/67/93/546166793.db2.gz HODPHJXJNAIJAN-USTZCAOPSA-N 1 3 336.432 -0.458 20 0 EBADHO O[C@@H]1C[C@H](O)CN(Cc2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)cc2)C1 ZINC000674495229 546166797 /nfs/dbraw/zinc/16/67/97/546166797.db2.gz HODPHJXJNAIJAN-USTZCAOPSA-N 1 3 336.432 -0.458 20 0 EBADHO CC[N@@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675816445 546189983 /nfs/dbraw/zinc/18/99/83/546189983.db2.gz CLLLBSFYMCNCSG-GJZGRUSLSA-N 1 3 332.514 -0.117 20 0 EBADHO CC[N@H+]1CC[C@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675816445 546189988 /nfs/dbraw/zinc/18/99/88/546189988.db2.gz CLLLBSFYMCNCSG-GJZGRUSLSA-N 1 3 332.514 -0.117 20 0 EBADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675816447 546190259 /nfs/dbraw/zinc/19/02/59/546190259.db2.gz CLLLBSFYMCNCSG-LSDHHAIUSA-N 1 3 332.514 -0.117 20 0 EBADHO CC[N@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675816447 546190261 /nfs/dbraw/zinc/19/02/61/546190261.db2.gz CLLLBSFYMCNCSG-LSDHHAIUSA-N 1 3 332.514 -0.117 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099679 546196111 /nfs/dbraw/zinc/19/61/11/546196111.db2.gz LCXJNGJPFUULNO-WFASDCNBSA-N 1 3 348.451 -0.018 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174274 546366267 /nfs/dbraw/zinc/36/62/67/546366267.db2.gz GKJWDOQSNTUNJD-PBHICJAKSA-N 1 3 340.468 -0.688 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891480349 582556926 /nfs/dbraw/zinc/55/69/26/582556926.db2.gz BCHSFSBGNTUDJS-IHRRRGAJSA-N 1 3 325.457 -0.034 20 0 EBADHO CN1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](CN)C1 ZINC000892754510 582586696 /nfs/dbraw/zinc/58/66/96/582586696.db2.gz ARIVTBBLKVVOBW-KBPBESRZSA-N 1 3 325.457 -0.571 20 0 EBADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)CCN(C)CC1 ZINC000892943784 582590591 /nfs/dbraw/zinc/59/05/91/582590591.db2.gz JGXHAFAFYPBMBD-MRXNPFEDSA-N 1 3 341.500 -0.014 20 0 EBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)CCN(C)CC1 ZINC000892943784 582590593 /nfs/dbraw/zinc/59/05/93/582590593.db2.gz JGXHAFAFYPBMBD-MRXNPFEDSA-N 1 3 341.500 -0.014 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000728791813 582676595 /nfs/dbraw/zinc/67/65/95/582676595.db2.gz HWXPMPGWDGLDGM-UHFFFAOYSA-N 1 3 329.514 -0.092 20 0 EBADHO CCN1CCN(CCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900191832 582764136 /nfs/dbraw/zinc/76/41/36/582764136.db2.gz GHACOUAAOQXLOI-QGZVFWFLSA-N 1 3 326.485 -0.023 20 0 EBADHO CCN1CCN(CCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900191832 582764137 /nfs/dbraw/zinc/76/41/37/582764137.db2.gz GHACOUAAOQXLOI-QGZVFWFLSA-N 1 3 326.485 -0.023 20 0 EBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)CC1 ZINC000900696072 582777846 /nfs/dbraw/zinc/77/78/46/582777846.db2.gz YBJZPSLUNRQYRQ-NVXWUHKLSA-N 1 3 326.485 -0.169 20 0 EBADHO CN1C[C@H](O)C[C@]1(C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000900696072 582777849 /nfs/dbraw/zinc/77/78/49/582777849.db2.gz YBJZPSLUNRQYRQ-NVXWUHKLSA-N 1 3 326.485 -0.169 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735766 582816073 /nfs/dbraw/zinc/81/60/73/582816073.db2.gz DJZUXKZFJZZCCC-AEFFLSMTSA-N 1 3 336.480 -0.005 20 0 EBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793797169 583570085 /nfs/dbraw/zinc/57/00/85/583570085.db2.gz YSHQCGHIOVIWPC-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000803203243 583628159 /nfs/dbraw/zinc/62/81/59/583628159.db2.gz BWLCNVADSWDGTL-MCIONIFRSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000804054726 583638706 /nfs/dbraw/zinc/63/87/06/583638706.db2.gz WBWHYPCKQUQLDX-KBUPBQIOSA-N 1 3 338.452 -0.435 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000804054726 583638708 /nfs/dbraw/zinc/63/87/08/583638708.db2.gz WBWHYPCKQUQLDX-KBUPBQIOSA-N 1 3 338.452 -0.435 20 0 EBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804056441 583639579 /nfs/dbraw/zinc/63/95/79/583639579.db2.gz KSVDGLHPAOTMEV-ILXRZTDVSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059234 583640989 /nfs/dbraw/zinc/64/09/89/583640989.db2.gz IFMIRZRNABDKMV-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059234 583640991 /nfs/dbraw/zinc/64/09/91/583640991.db2.gz IFMIRZRNABDKMV-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC000818647580 583746661 /nfs/dbraw/zinc/74/66/61/583746661.db2.gz AQLDABNSCPZDRK-FXUDXRNXSA-N 1 3 348.451 -0.281 20 0 EBADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000841175224 584052363 /nfs/dbraw/zinc/05/23/63/584052363.db2.gz QHHWHBABNCFESD-UHFFFAOYSA-N 1 3 331.420 -0.145 20 0 EBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842165547 584059095 /nfs/dbraw/zinc/05/90/95/584059095.db2.gz ZFTDBYWIKGKOCH-MGPQQGTHSA-N 1 3 326.441 -0.545 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000842227058 584061164 /nfs/dbraw/zinc/06/11/64/584061164.db2.gz XDPXJFMAVGDRFI-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CN(CC(=O)NCCCN(C)S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000843355046 584076369 /nfs/dbraw/zinc/07/63/69/584076369.db2.gz KJZFCIBUKFJNQX-UHFFFAOYSA-N 1 3 334.486 -0.414 20 0 EBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000848933172 584163790 /nfs/dbraw/zinc/16/37/90/584163790.db2.gz ZYRUMXAQULLEAF-APIJFGDWSA-N 1 3 338.452 -0.578 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@H](C[NH3+])C1 ZINC000851684872 584198308 /nfs/dbraw/zinc/19/83/08/584198308.db2.gz MJLDXHASGWPSLC-APIJFGDWSA-N 1 3 338.452 -0.448 20 0 EBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC000857102381 584274345 /nfs/dbraw/zinc/27/43/45/584274345.db2.gz QUXNXJKQNHUCKL-FHIRATQRSA-N 1 3 336.436 -0.694 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000861727980 584335442 /nfs/dbraw/zinc/33/54/42/584335442.db2.gz BOOKIVMLPVUONY-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000861727982 584335626 /nfs/dbraw/zinc/33/56/26/584335626.db2.gz BOOKIVMLPVUONY-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000861749574 584337273 /nfs/dbraw/zinc/33/72/73/584337273.db2.gz CSIZXYVCEWHEET-NWANDNLSSA-N 1 3 338.452 -0.387 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876752768 584522066 /nfs/dbraw/zinc/52/20/66/584522066.db2.gz YIYBDHDOYSUHIM-UHFFFAOYSA-N 1 3 336.440 -0.495 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752483 584522073 /nfs/dbraw/zinc/52/20/73/584522073.db2.gz REZFIAOUYZEQIP-UKRRQHHQSA-N 1 3 326.416 -0.299 20 0 EBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876979788 584527770 /nfs/dbraw/zinc/52/77/70/584527770.db2.gz ACLFQKGRQNDWBT-KGLIPLIRSA-N 1 3 349.483 -0.586 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCCCS1(=O)=O ZINC000880663869 584570358 /nfs/dbraw/zinc/57/03/58/584570358.db2.gz HGBNQIKYYCFIAO-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCCCS1(=O)=O ZINC000880663869 584570359 /nfs/dbraw/zinc/57/03/59/584570359.db2.gz HGBNQIKYYCFIAO-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883640304 584604060 /nfs/dbraw/zinc/60/40/60/584604060.db2.gz LUECEFGWVJFGMR-DZGCQCFKSA-N 1 3 347.419 -0.695 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000884529241 584625779 /nfs/dbraw/zinc/62/57/79/584625779.db2.gz KAXMTVHWNQNIBY-NSHDSACASA-N 1 3 332.395 -0.052 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884559895 584627303 /nfs/dbraw/zinc/62/73/03/584627303.db2.gz IGZWGJAUHNLTJD-APIJFGDWSA-N 1 3 336.436 -0.681 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884587462 584628974 /nfs/dbraw/zinc/62/89/74/584628974.db2.gz JJVIQIAULSTBMT-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884587132 584629080 /nfs/dbraw/zinc/62/90/80/584629080.db2.gz BDMCMZMDOSQNGH-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCN(C)CCCOC)CC1 ZINC000884587671 584629107 /nfs/dbraw/zinc/62/91/07/584629107.db2.gz NUOPLTZUVKNAQK-UHFFFAOYSA-N 1 3 328.457 -0.199 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000884612285 584629926 /nfs/dbraw/zinc/62/99/26/584629926.db2.gz IVEYXGWBJXZLNF-LALPHHSUSA-N 1 3 328.482 -0.407 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884675248 584632955 /nfs/dbraw/zinc/63/29/55/584632955.db2.gz XCKGDMNYLDWMJK-KGLIPLIRSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1c1ccncc1 ZINC000884706654 584634938 /nfs/dbraw/zinc/63/49/38/584634938.db2.gz KEILIPKOKNXVKK-IUODEOHRSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000884725919 584636729 /nfs/dbraw/zinc/63/67/29/584636729.db2.gz CIDKBYSHSRSGDC-HIFRSBDPSA-N 1 3 347.419 -0.777 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1c1ccncc1 ZINC000884789933 584637681 /nfs/dbraw/zinc/63/76/81/584637681.db2.gz FQKCLGWUKUWGAQ-VNSJNIRKSA-N 1 3 343.431 -0.013 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884823822 584639356 /nfs/dbraw/zinc/63/93/56/584639356.db2.gz GPIJZWQSYLXHSN-KCQAQPDRSA-N 1 3 331.420 -0.015 20 0 EBADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N(CCN)CCO)CC1 ZINC000884976629 584642131 /nfs/dbraw/zinc/64/21/31/584642131.db2.gz VUQWFOLWCSVJAW-UHFFFAOYSA-N 1 3 328.457 -0.607 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143761 584644214 /nfs/dbraw/zinc/64/42/14/584644214.db2.gz OGOBXDMFHUMPOZ-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)CCOC1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885200994 584645473 /nfs/dbraw/zinc/64/54/73/584645473.db2.gz OECKEYFUXARAHS-UHFFFAOYSA-N 1 3 328.457 -0.201 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)C1 ZINC000885203868 584645816 /nfs/dbraw/zinc/64/58/16/584645816.db2.gz CLZHFBNXCJMXFU-AWEZNQCLSA-N 1 3 339.484 -0.532 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000887091875 584676225 /nfs/dbraw/zinc/67/62/25/584676225.db2.gz ZLORDGRFSOGXJO-UKRRQHHQSA-N 1 3 347.419 -0.695 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091856 584676253 /nfs/dbraw/zinc/67/62/53/584676253.db2.gz ZCYWJBKCBYLCOG-KBPBESRZSA-N 1 3 331.420 -0.061 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911004122 650144656 /nfs/dbraw/zinc/14/46/56/650144656.db2.gz NBYRUOTXHISKOK-KGLIPLIRSA-N 1 3 340.468 -0.343 20 0 EBADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)C1CC1 ZINC000911052840 650147973 /nfs/dbraw/zinc/14/79/73/650147973.db2.gz ISGRXIQFSLBAJX-MNOVXSKESA-N 1 3 336.358 -0.065 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911149193 650154906 /nfs/dbraw/zinc/15/49/06/650154906.db2.gz VBPCKZPXDXDJJY-VBQJREDUSA-N 1 3 336.436 -0.680 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000911149558 650155064 /nfs/dbraw/zinc/15/50/64/650155064.db2.gz XOKWKBCKAJCRKP-KBUPBQIOSA-N 1 3 338.452 -0.672 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911161163 650155352 /nfs/dbraw/zinc/15/53/52/650155352.db2.gz IFPYEEFIQMVNCR-CQSZACIVSA-N 1 3 339.484 -0.626 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201013 650159065 /nfs/dbraw/zinc/15/90/65/650159065.db2.gz VCERFFAEQZZFQV-XHDPSFHLSA-N 1 3 328.482 -0.346 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCSC1 ZINC000911199645 650159084 /nfs/dbraw/zinc/15/90/84/650159084.db2.gz LQBLBWZRVVECIZ-XUJVJEKNSA-N 1 3 328.482 -0.217 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCSC1 ZINC000911200583 650159093 /nfs/dbraw/zinc/15/90/93/650159093.db2.gz QBMREAJDFWNNPO-NWJSVONSSA-N 1 3 326.466 -0.451 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911255094 650163439 /nfs/dbraw/zinc/16/34/39/650163439.db2.gz LTRAEYBWRFZZSY-TZMCWYRMSA-N 1 3 340.468 -0.284 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)C ZINC000911270509 650164797 /nfs/dbraw/zinc/16/47/97/650164797.db2.gz XZRRBAFQJJHXNZ-OAHLLOKOSA-N 1 3 341.500 -0.558 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911336366 650172313 /nfs/dbraw/zinc/17/23/13/650172313.db2.gz HKRATOIEDYPPTM-CYBMUJFWSA-N 1 3 326.441 -0.447 20 0 EBADHO CN1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CCC1(C)C ZINC000911412080 650179745 /nfs/dbraw/zinc/17/97/45/650179745.db2.gz XXDIZKHFWRUORF-UHFFFAOYSA-N 1 3 339.484 -0.532 20 0 EBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412199 650179785 /nfs/dbraw/zinc/17/97/85/650179785.db2.gz KJFOPQLSZIANJK-AWEZNQCLSA-N 1 3 325.457 -0.874 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000912461150 650205859 /nfs/dbraw/zinc/20/58/59/650205859.db2.gz INHPYUJTEIMYNH-MRXNPFEDSA-N 1 3 328.457 -0.688 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000912461150 650205862 /nfs/dbraw/zinc/20/58/62/650205862.db2.gz INHPYUJTEIMYNH-MRXNPFEDSA-N 1 3 328.457 -0.688 20 0 EBADHO O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCN(C2CCCC2)CC1 ZINC000926300424 650385090 /nfs/dbraw/zinc/38/50/90/650385090.db2.gz UUXVRRFLWGFBJR-UHFFFAOYSA-N 1 3 337.468 -0.905 20 0 EBADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCNCCNCC2)cc1 ZINC000927879886 651510562 /nfs/dbraw/zinc/51/05/62/651510562.db2.gz XSYIEWHKCCHBTL-UHFFFAOYSA-N 1 3 347.463 -0.249 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601305 652902183 /nfs/dbraw/zinc/90/21/83/652902183.db2.gz OZXDUJXHGGWHHH-TZMCWYRMSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601305 652902185 /nfs/dbraw/zinc/90/21/85/652902185.db2.gz OZXDUJXHGGWHHH-TZMCWYRMSA-N 1 3 335.408 -0.753 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000941854979 652930449 /nfs/dbraw/zinc/93/04/49/652930449.db2.gz ASAFMEYBAXJQEP-IACUBPJLSA-N 1 3 335.408 -0.754 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941854979 652930453 /nfs/dbraw/zinc/93/04/53/652930453.db2.gz ASAFMEYBAXJQEP-IACUBPJLSA-N 1 3 335.408 -0.754 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553423 653141406 /nfs/dbraw/zinc/14/14/06/653141406.db2.gz XBQKLHAYZIWCDR-HUUCEWRRSA-N 1 3 349.435 -0.364 20 0 EBADHO CN1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946925787 653272266 /nfs/dbraw/zinc/27/22/66/653272266.db2.gz UIUBYDZXGXNKRJ-UONOGXRCSA-N 1 3 338.452 -0.698 20 0 EBADHO O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581926 722395145 /nfs/dbraw/zinc/39/51/45/722395145.db2.gz VPFMLRDBQCYCJB-CVEARBPZSA-N 1 3 325.453 -0.490 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC000959853098 722767918 /nfs/dbraw/zinc/76/79/18/722767918.db2.gz YXVMXXPKWFXDEB-QXSJWSMHSA-N 1 3 349.479 -0.069 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC000959853098 722767919 /nfs/dbraw/zinc/76/79/19/722767919.db2.gz YXVMXXPKWFXDEB-QXSJWSMHSA-N 1 3 349.479 -0.069 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000961599749 723043589 /nfs/dbraw/zinc/04/35/89/723043589.db2.gz OHVXAPWPEXTDMR-MCIONIFRSA-N 1 3 331.420 -0.179 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000961599749 723043590 /nfs/dbraw/zinc/04/35/90/723043590.db2.gz OHVXAPWPEXTDMR-MCIONIFRSA-N 1 3 331.420 -0.179 20 0 EBADHO CN(CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000963394790 723416802 /nfs/dbraw/zinc/41/68/02/723416802.db2.gz MSTIRIZOWVVTJA-CFVMTHIKSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000963394790 723416806 /nfs/dbraw/zinc/41/68/06/723416806.db2.gz MSTIRIZOWVVTJA-CFVMTHIKSA-N 1 3 338.452 -0.890 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019469967 728896132 /nfs/dbraw/zinc/89/61/32/728896132.db2.gz XHXOWFBVEYRECJ-KBPBESRZSA-N 1 3 336.436 -0.286 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019560336 728922037 /nfs/dbraw/zinc/92/20/37/728922037.db2.gz BAVNGZITKNFKMB-KBPBESRZSA-N 1 3 336.436 -0.286 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CCC1 ZINC000968924533 725129216 /nfs/dbraw/zinc/12/92/16/725129216.db2.gz OMRHEOHZXFEJKG-CQSZACIVSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CCO1 ZINC000969595344 725195929 /nfs/dbraw/zinc/19/59/29/725195929.db2.gz WLGBERYMBXHUHJ-RBSFLKMASA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000969947648 725230873 /nfs/dbraw/zinc/23/08/73/725230873.db2.gz FNVQYJHPZCIMIY-CHWSQXEVSA-N 1 3 337.424 -0.787 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC[N@@H+]1C ZINC000969963914 725232970 /nfs/dbraw/zinc/23/29/70/725232970.db2.gz DVUILLGEWDRRPR-VIRABCJISA-N 1 3 349.435 -0.630 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC[N@H+]1C ZINC000969963914 725232972 /nfs/dbraw/zinc/23/29/72/725232972.db2.gz DVUILLGEWDRRPR-VIRABCJISA-N 1 3 349.435 -0.630 20 0 EBADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC000970230644 725265159 /nfs/dbraw/zinc/26/51/59/725265159.db2.gz DYAPFYUXHZOOAF-HUUCEWRRSA-N 1 3 348.451 -0.521 20 0 EBADHO C[C@H](N[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996473681 726402254 /nfs/dbraw/zinc/40/22/54/726402254.db2.gz VWEYRIBKDFXTKB-JSGCOSHPSA-N 1 3 340.468 -0.202 20 0 EBADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996621200 726420288 /nfs/dbraw/zinc/42/02/88/726420288.db2.gz QHVAXQYLNCYCNB-HOTGVXAUSA-N 1 3 348.451 -0.278 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)N(C)C ZINC000996710358 726423435 /nfs/dbraw/zinc/42/34/35/726423435.db2.gz CKIYVPXKXAWKKN-CQSZACIVSA-N 1 3 325.457 -0.068 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC(N)=O)CC2)C1 ZINC000997725067 726461632 /nfs/dbraw/zinc/46/16/32/726461632.db2.gz YGYUCUSEMIGUMT-ZFWWWQNUSA-N 1 3 340.468 -0.202 20 0 EBADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352954 726515728 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EBADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001070530288 740856748 /nfs/dbraw/zinc/85/67/48/740856748.db2.gz SATNBWSFXAHXOU-NUEKZKHPSA-N 1 3 337.468 -0.117 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072150961 741322424 /nfs/dbraw/zinc/32/24/24/741322424.db2.gz WJWSLIFBVNDKKU-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433700 741399363 /nfs/dbraw/zinc/39/93/63/741399363.db2.gz ZSDDAWDBVRNCEZ-GJZGRUSLSA-N 1 3 342.484 -0.132 20 0 EBADHO C[NH+](C)[C@H](C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2)C1CC1 ZINC001072814880 741492773 /nfs/dbraw/zinc/49/27/73/741492773.db2.gz NYFZHCADETUTHB-HNNXBMFYSA-N 1 3 349.479 -0.114 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001072983398 741534608 /nfs/dbraw/zinc/53/46/08/741534608.db2.gz VFCWXSTZBBTNLU-HNNXBMFYSA-N 1 3 349.479 -0.112 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001072983398 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JASSSCGSXWLIMZ-LVNYTYFRSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000977207455 804224097 /nfs/dbraw/zinc/22/40/97/804224097.db2.gz JASSSCGSXWLIMZ-LVNYTYFRSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987059845 807830520 /nfs/dbraw/zinc/83/05/20/807830520.db2.gz SZTXCMCXLFGXRG-WCQYABFASA-N 1 3 333.392 -0.320 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534187 807953450 /nfs/dbraw/zinc/95/34/50/807953450.db2.gz VJYAGBLLYZQKAZ-ZIAGYGMSSA-N 1 3 336.436 -0.190 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000990275595 808718487 /nfs/dbraw/zinc/71/84/87/808718487.db2.gz BNMSDLBULINKSX-CYBMUJFWSA-N 1 3 337.424 -0.787 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215539956 810335014 /nfs/dbraw/zinc/33/50/14/810335014.db2.gz FHPQDDIDMHHAMN-BFHYXJOUSA-N 1 3 346.497 -0.686 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001215999016 810354871 /nfs/dbraw/zinc/35/48/71/810354871.db2.gz LQYNEVZDWNEXPK-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401594 810371407 /nfs/dbraw/zinc/37/14/07/810371407.db2.gz NOASBESQYHLDQR-ZIAGYGMSSA-N 1 3 328.457 -0.521 20 0 EBADHO O=C(Nc1nccnc1N1CCOCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218571523 810506272 /nfs/dbraw/zinc/50/62/72/810506272.db2.gz VYBDBNZUAJALEH-MLGOLLRUSA-N 1 3 332.408 -0.549 20 0 EBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC001218956660 810548480 /nfs/dbraw/zinc/54/84/80/810548480.db2.gz IREMCESRFZRSML-LBPRGKRZSA-N 1 3 332.408 -0.256 20 0 EBADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@@H]3COC4(CNC4)CN3)cc2)C1 ZINC001219233409 810626026 /nfs/dbraw/zinc/62/60/26/810626026.db2.gz NXJCDTWMLGPXJN-BBRMVZONSA-N 1 3 345.447 -0.117 20 0 EBADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C1 ZINC001219640974 810783619 /nfs/dbraw/zinc/78/36/19/810783619.db2.gz DNZYQACDARVQIW-RDBSUJKOSA-N 1 3 348.451 -0.324 20 0 EBADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CNCc2ccnn21 ZINC001219793678 810844652 /nfs/dbraw/zinc/84/46/52/810844652.db2.gz JNJFJAINOFICTO-MRXNPFEDSA-N 1 3 332.452 -0.140 20 0 EBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813646 810858095 /nfs/dbraw/zinc/85/80/95/810858095.db2.gz YHELEHKZLIDYGL-MKBNYLNASA-N 1 3 327.425 -0.342 20 0 EBADHO COCCn1c2c(ccc1=O)C[C@H](NC(=O)[C@H](N)CCC[NH3+])CC2 ZINC001219898853 810899052 /nfs/dbraw/zinc/89/90/52/810899052.db2.gz PHEXMVZIJAMRJM-ZIAGYGMSSA-N 1 3 336.436 -0.466 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001219901148 810900679 /nfs/dbraw/zinc/90/06/79/810900679.db2.gz DRZYXFSFOLHWFV-PGUXBMHVSA-N 1 3 338.433 -0.371 20 0 EBADHO COC(=O)C1(NC(=O)[C@@H]2CC[C@]3(C2)CNCCO3)CC[NH2+]CC1 ZINC001220001115 810941403 /nfs/dbraw/zinc/94/14/03/810941403.db2.gz HZQSTLSNGUABGB-DOMZBBRYSA-N 1 3 325.409 -0.444 20 0 EBADHO COCCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034215 810956060 /nfs/dbraw/zinc/95/60/60/810956060.db2.gz OWWNWZQZTGVECH-WCCAFZKYSA-N 1 3 339.436 -0.953 20 0 EBADHO COCCCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034215 810956066 /nfs/dbraw/zinc/95/60/66/810956066.db2.gz OWWNWZQZTGVECH-WCCAFZKYSA-N 1 3 339.436 -0.953 20 0 EBADHO O=C(N[C@H]1COCCC12OCCO2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220172794 811005981 /nfs/dbraw/zinc/00/59/81/811005981.db2.gz BQFOAVSADVUKNX-STQMWFEESA-N 1 3 325.409 -0.491 20 0 EBADHO O=C(N[C@H]1COCCC12OCCO2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220172794 811005990 /nfs/dbraw/zinc/00/59/90/811005990.db2.gz BQFOAVSADVUKNX-STQMWFEESA-N 1 3 325.409 -0.491 20 0 EBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220238231 811032035 /nfs/dbraw/zinc/03/20/35/811032035.db2.gz QPBWMDVOHUYTFX-KFWWJZLASA-N 1 3 340.468 -0.594 20 0 EBADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220311046 811051968 /nfs/dbraw/zinc/05/19/68/811051968.db2.gz JPWDABWGVYRNLB-GFCCVEGCSA-N 1 3 346.435 -0.892 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319686 811055459 /nfs/dbraw/zinc/05/54/59/811055459.db2.gz IJCFADVKIYGQCG-IJEWVQPXSA-N 1 3 326.441 -0.353 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)OC(C)(C)C ZINC001220379301 811082679 /nfs/dbraw/zinc/08/26/79/811082679.db2.gz PPDMVVXCWHZNPP-MNOVXSKESA-N 1 3 341.408 -0.815 20 0 EBADHO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220456290 811114736 /nfs/dbraw/zinc/11/47/36/811114736.db2.gz JPZZAWDZZFVIQU-GJZGRUSLSA-N 1 3 347.415 -0.330 20 0 EBADHO COCCOCCOCCOCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220514336 811133112 /nfs/dbraw/zinc/13/31/12/811133112.db2.gz GVZWGHXOGXHFFF-HNNXBMFYSA-N 1 3 347.456 -0.874 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)CC[NH3+] ZINC001220517486 811134556 /nfs/dbraw/zinc/13/45/56/811134556.db2.gz NNRVLSWWCNPCRF-GJZGRUSLSA-N 1 3 343.516 -0.103 20 0 EBADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220567606 811158070 /nfs/dbraw/zinc/15/80/70/811158070.db2.gz HFNFPKCQYDPUNR-GJZGRUSLSA-N 1 3 334.420 -0.001 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220637934 811184943 /nfs/dbraw/zinc/18/49/43/811184943.db2.gz OKJYYBLDBFNDET-BMFZPTHFSA-N 1 3 341.452 -0.705 20 0 EBADHO COC(=O)CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCOCC1 ZINC001220731256 811221689 /nfs/dbraw/zinc/22/16/89/811221689.db2.gz JETSFIMQWXGDKH-MLGOLLRUSA-N 1 3 325.409 -0.586 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801505 811246689 /nfs/dbraw/zinc/24/66/89/811246689.db2.gz ZYEYUFMLEBWOKD-HLTSFMKQSA-N 1 3 325.335 -0.581 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801509 811246826 /nfs/dbraw/zinc/24/68/26/811246826.db2.gz ZYEYUFMLEBWOKD-VGMNWLOBSA-N 1 3 325.335 -0.581 20 0 EBADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001221006412 811340864 /nfs/dbraw/zinc/34/08/64/811340864.db2.gz GALAHEHBVIOQAB-SRVKXCTJSA-N 1 3 332.470 -0.804 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221159310 811398294 /nfs/dbraw/zinc/39/82/94/811398294.db2.gz GPEPUEHMXFEGLF-LBPRGKRZSA-N 1 3 325.438 -0.099 20 0 EBADHO Cn1ncc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(Br)c1=O ZINC001221401003 811450696 /nfs/dbraw/zinc/45/06/96/811450696.db2.gz ADEFYSDEXNXOHK-JTQLQIEISA-N 1 3 344.213 -0.192 20 0 EBADHO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001079489835 811559266 /nfs/dbraw/zinc/55/92/66/811559266.db2.gz PXGQCOWGHIVKJK-UPJWGTAASA-N 1 3 337.424 -0.931 20 0 EBADHO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001079489835 811559274 /nfs/dbraw/zinc/55/92/74/811559274.db2.gz PXGQCOWGHIVKJK-UPJWGTAASA-N 1 3 337.424 -0.931 20 0 EBADHO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001079489834 811560179 /nfs/dbraw/zinc/56/01/79/811560179.db2.gz PXGQCOWGHIVKJK-JHJVBQTASA-N 1 3 337.424 -0.931 20 0 EBADHO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001079489834 811560183 /nfs/dbraw/zinc/56/01/83/811560183.db2.gz PXGQCOWGHIVKJK-JHJVBQTASA-N 1 3 337.424 -0.931 20 0 EBADHO CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001222079740 811592905 /nfs/dbraw/zinc/59/29/05/811592905.db2.gz FLZUWNFBSSQLHQ-HNNXBMFYSA-N 1 3 333.436 -0.172 20 0 EBADHO C[NH+](C)CCOCC(=O)NCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001225155393 811795920 /nfs/dbraw/zinc/79/59/20/811795920.db2.gz VSBITRPBHYIKSU-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001080138793 811912646 /nfs/dbraw/zinc/91/26/46/811912646.db2.gz OYGPESPIXUXQFH-HNNXBMFYSA-N 1 3 342.484 -0.036 20 0 EBADHO COC[C@@H](C)OC[C@H](O)CN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999744 812008237 /nfs/dbraw/zinc/00/82/37/812008237.db2.gz VGRKJBAXBCRCST-GDBMZVCRSA-N 1 3 345.484 -0.069 20 0 EBADHO CN(C)S(=O)(=O)CCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008311 812008640 /nfs/dbraw/zinc/00/86/40/812008640.db2.gz LLBXMTPSTHPPFF-UHFFFAOYSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC001230275261 812096888 /nfs/dbraw/zinc/09/68/88/812096888.db2.gz KGCGURXXJHRBKD-ZFWWWQNUSA-N 1 3 340.468 -0.201 20 0 EBADHO CCN(CC)CC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080868551 812307479 /nfs/dbraw/zinc/30/74/79/812307479.db2.gz FCMWSNUCKDMMLC-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@@H](N4CC(C[NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236079243 812515849 /nfs/dbraw/zinc/51/58/49/812515849.db2.gz MXNAIIJQOZEMKL-LEOABGAYSA-N 1 3 341.452 -0.421 20 0 EBADHO CC[C@@]1(C(=O)OC)C[C@H](NCCOCCOCCOCC[NH3+])CN1 ZINC001246289002 812569925 /nfs/dbraw/zinc/56/99/25/812569925.db2.gz MXMIPELBWNLEHO-HOCLYGCPSA-N 1 3 347.456 -0.732 20 0 EBADHO CS(=O)(=O)c1cccc([C@H](CO)N[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246489257 812574187 /nfs/dbraw/zinc/57/41/87/812574187.db2.gz MQAPBAKKCYBSLP-HIFRSBDPSA-N 1 3 339.461 -0.193 20 0 EBADHO COC(=O)[C@H](CCCCN[C@@H]1CCC[NH2+]C1)NC(=O)CNC(C)=O ZINC001246519692 812574922 /nfs/dbraw/zinc/57/49/22/812574922.db2.gz NZEWQISQTJURRO-KGLIPLIRSA-N 1 3 342.440 -0.708 20 0 EBADHO O=C([C@@H]1C[C@H](N2CCC[C@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647055 812578352 /nfs/dbraw/zinc/57/83/52/812578352.db2.gz GRRMYARDZVATGC-DZKIICNBSA-N 1 3 340.493 -0.296 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001262068692 813031597 /nfs/dbraw/zinc/03/15/97/813031597.db2.gz ISAQKEUFXYYDGH-CQSZACIVSA-N 1 3 337.468 -0.907 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001081505454 813094376 /nfs/dbraw/zinc/09/43/76/813094376.db2.gz GKMWLUCOXAGPSU-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001081505454 813094386 /nfs/dbraw/zinc/09/43/86/813094386.db2.gz GKMWLUCOXAGPSU-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001263863951 813129957 /nfs/dbraw/zinc/12/99/57/813129957.db2.gz JVAYDZZAWDETOO-JHJVBQTASA-N 1 3 336.436 -0.240 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001081553353 813165738 /nfs/dbraw/zinc/16/57/38/813165738.db2.gz IJNYIUCSHJDAOW-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001081553353 813165741 /nfs/dbraw/zinc/16/57/41/813165741.db2.gz IJNYIUCSHJDAOW-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081554072 813169763 /nfs/dbraw/zinc/16/97/63/813169763.db2.gz REAGWNVXNKTRFA-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081636133 813344552 /nfs/dbraw/zinc/34/45/52/813344552.db2.gz ZLKQJXDYMXARGC-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001265690926 813359076 /nfs/dbraw/zinc/35/90/76/813359076.db2.gz AHBRXFKGIQPXGP-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001265690926 813359083 /nfs/dbraw/zinc/35/90/83/813359083.db2.gz AHBRXFKGIQPXGP-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001265852646 813386315 /nfs/dbraw/zinc/38/63/15/813386315.db2.gz GWQTXAVJSGGRTL-DGCLKSJQSA-N 1 3 327.429 -0.781 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001265902185 813409054 /nfs/dbraw/zinc/40/90/54/813409054.db2.gz KCLOYKQLLUMQOW-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001265902185 813409060 /nfs/dbraw/zinc/40/90/60/813409060.db2.gz KCLOYKQLLUMQOW-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703648 813442451 /nfs/dbraw/zinc/44/24/51/813442451.db2.gz SUYNDWHYRXFHDF-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001266042958 813445828 /nfs/dbraw/zinc/44/58/28/813445828.db2.gz QYAUMRZZORDAEC-MGPQQGTHSA-N 1 3 338.452 -0.040 20 0 EBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001266042958 813445833 /nfs/dbraw/zinc/44/58/33/813445833.db2.gz QYAUMRZZORDAEC-MGPQQGTHSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081736652 813494696 /nfs/dbraw/zinc/49/46/96/813494696.db2.gz YQUCNMFPJOIGDQ-KBPBESRZSA-N 1 3 328.457 -0.786 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NC(=O)NC)C1 ZINC001266812887 813676567 /nfs/dbraw/zinc/67/65/67/813676567.db2.gz ALPKOACSCYFRBZ-ZDUSSCGKSA-N 1 3 341.456 -0.388 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NC(=O)NC)C1 ZINC001266812887 813676572 /nfs/dbraw/zinc/67/65/72/813676572.db2.gz ALPKOACSCYFRBZ-ZDUSSCGKSA-N 1 3 341.456 -0.388 20 0 EBADHO C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267003016 813729648 /nfs/dbraw/zinc/72/96/48/813729648.db2.gz YJKHZUUMQXCDFV-OLZOCXBDSA-N 1 3 337.424 -0.723 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001267046437 813745335 /nfs/dbraw/zinc/74/53/35/813745335.db2.gz DGGMUSVCQAPUDX-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082448153 813947142 /nfs/dbraw/zinc/94/71/42/813947142.db2.gz GGILYDDNAYBQCW-RBSFLKMASA-N 1 3 338.452 -0.624 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001082798462 814009830 /nfs/dbraw/zinc/00/98/30/814009830.db2.gz VPJVELPJROJJCR-YRGRVCCFSA-N 1 3 336.440 -0.631 20 0 EBADHO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N2CCCC2)cn1 ZINC001268318135 814195761 /nfs/dbraw/zinc/19/57/61/814195761.db2.gz VBEFSCBOXKSGJO-OAHLLOKOSA-N 1 3 337.468 -0.096 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268493806 814264141 /nfs/dbraw/zinc/26/41/41/814264141.db2.gz VMHSSHBFMYZVCA-ZDUSSCGKSA-N 1 3 329.445 -0.534 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001269187279 814572331 /nfs/dbraw/zinc/57/23/31/814572331.db2.gz QBKSLEQLQIRJIO-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001269187279 814572333 /nfs/dbraw/zinc/57/23/33/814572333.db2.gz QBKSLEQLQIRJIO-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CN(C)CCN1CC2(CN(C(=O)CC[NH+]3CCCC3)C2)OCC1=O ZINC001269517900 814716544 /nfs/dbraw/zinc/71/65/44/814716544.db2.gz KIGMNPDOEKCXDC-UHFFFAOYSA-N 1 3 338.452 -0.526 20 0 EBADHO CCOCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001270021808 815664136 /nfs/dbraw/zinc/66/41/36/815664136.db2.gz INVHLLSEKLNVHL-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001270165307 815706231 /nfs/dbraw/zinc/70/62/31/815706231.db2.gz KUORALCDBWUXIG-OLZOCXBDSA-N 1 3 339.440 -0.541 20 0 EBADHO O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086153214 816249756 /nfs/dbraw/zinc/24/97/56/816249756.db2.gz YTCDLSGPKLKELD-MWSRPQJLSA-N 1 3 348.447 -0.778 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373002 816311495 /nfs/dbraw/zinc/31/14/95/816311495.db2.gz HHCKDODCFSCNCN-KQTLUZQSSA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086373002 816311501 /nfs/dbraw/zinc/31/15/01/816311501.db2.gz HHCKDODCFSCNCN-KQTLUZQSSA-N 1 3 348.451 -0.337 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001272196865 816347963 /nfs/dbraw/zinc/34/79/63/816347963.db2.gz PYNQRXODJXGGHD-GJZGRUSLSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001272196865 816347969 /nfs/dbraw/zinc/34/79/69/816347969.db2.gz PYNQRXODJXGGHD-GJZGRUSLSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001272566475 816478556 /nfs/dbraw/zinc/47/85/56/816478556.db2.gz XMTSFXIAXUTODZ-STQMWFEESA-N 1 3 341.456 -0.390 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001087256696 816485407 /nfs/dbraw/zinc/48/54/07/816485407.db2.gz GBVYVBCUMZGPQS-STQMWFEESA-N 1 3 335.408 -0.229 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001087256696 816485411 /nfs/dbraw/zinc/48/54/11/816485411.db2.gz GBVYVBCUMZGPQS-STQMWFEESA-N 1 3 335.408 -0.229 20 0 EBADHO CCOC(=O)CCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273469283 816680404 /nfs/dbraw/zinc/68/04/04/816680404.db2.gz DYZBHPOPUNFQQI-INIZCTEOSA-N 1 3 327.425 -0.196 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001274026571 816843864 /nfs/dbraw/zinc/84/38/64/816843864.db2.gz RKFGXFCGHGUDNC-AIMRDXAKSA-N 1 3 339.440 -0.295 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001274026571 816843869 /nfs/dbraw/zinc/84/38/69/816843869.db2.gz RKFGXFCGHGUDNC-AIMRDXAKSA-N 1 3 339.440 -0.295 20 0 EBADHO CN(CCCNCc1cnnn1C)C(=O)COC1CC[NH+](C)CC1 ZINC001276305185 817383538 /nfs/dbraw/zinc/38/35/38/817383538.db2.gz CECCNVDWBQFYJG-UHFFFAOYSA-N 1 3 338.456 -0.136 20 0 EBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001276339883 817388593 /nfs/dbraw/zinc/38/85/93/817388593.db2.gz MHBPMFZANONUBV-MRXNPFEDSA-N 1 3 342.484 -0.131 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)N(C)C ZINC001277087026 817518743 /nfs/dbraw/zinc/51/87/43/817518743.db2.gz AMOXCNSZAIHVEO-ZDUSSCGKSA-N 1 3 339.440 -0.637 20 0 EBADHO CC[C@@H](C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)N(C)C ZINC001277225496 817533719 /nfs/dbraw/zinc/53/37/19/817533719.db2.gz UFDGOBGKPUXTPU-NSHDSACASA-N 1 3 325.413 -0.883 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)cn1 ZINC001090637218 817603141 /nfs/dbraw/zinc/60/31/41/817603141.db2.gz IUQFIBQGWGGNAS-GJZGRUSLSA-N 1 3 341.431 -0.031 20 0 EBADHO O=C(NC[C@@H](CO)NCCO[C@@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178161 817718886 /nfs/dbraw/zinc/71/88/86/817718886.db2.gz CJHCMTIESLXCEY-NWDGAFQWSA-N 1 3 333.379 -0.427 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001278324264 817741776 /nfs/dbraw/zinc/74/17/76/817741776.db2.gz FCKNXORHGPTTNN-QWHCGFSZSA-N 1 3 339.440 -0.543 20 0 EBADHO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090814180 817770453 /nfs/dbraw/zinc/77/04/53/817770453.db2.gz JHPKNLMVNRYQQN-LSDHHAIUSA-N 1 3 338.452 -0.744 20 0 EBADHO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090814180 817770455 /nfs/dbraw/zinc/77/04/55/817770455.db2.gz JHPKNLMVNRYQQN-LSDHHAIUSA-N 1 3 338.452 -0.744 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691088 817795166 /nfs/dbraw/zinc/79/51/66/817795166.db2.gz XBVJMUZPAJDEMD-OLZOCXBDSA-N 1 3 338.452 -0.042 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001279886024 818000494 /nfs/dbraw/zinc/00/04/94/818000494.db2.gz GDBAOGLKABKCBJ-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098392790 819167590 /nfs/dbraw/zinc/16/75/90/819167590.db2.gz YSUCYPDEDQXITE-XJKSGUPXSA-N 1 3 327.469 -0.007 20 0 EBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098392790 819167595 /nfs/dbraw/zinc/16/75/95/819167595.db2.gz YSUCYPDEDQXITE-XJKSGUPXSA-N 1 3 327.469 -0.007 20 0 EBADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001098400942 819171520 /nfs/dbraw/zinc/17/15/20/819171520.db2.gz VWYBYPGZBYTOHY-KFWWJZLASA-N 1 3 335.452 -0.171 20 0 EBADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001098400942 819171521 /nfs/dbraw/zinc/17/15/21/819171521.db2.gz VWYBYPGZBYTOHY-KFWWJZLASA-N 1 3 335.452 -0.171 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNCCS(C)(=O)=O)CC[N@@H+]1C ZINC001284419065 819223160 /nfs/dbraw/zinc/22/31/60/819223160.db2.gz YJEGTRRGINBVQU-MELADBBJSA-N 1 3 349.497 -0.830 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNCCS(C)(=O)=O)CC[N@H+]1C ZINC001284419065 819223162 /nfs/dbraw/zinc/22/31/62/819223162.db2.gz YJEGTRRGINBVQU-MELADBBJSA-N 1 3 349.497 -0.830 20 0 EBADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1 ZINC001098540375 819238633 /nfs/dbraw/zinc/23/86/33/819238633.db2.gz HBVIOUGVEWDHED-INIZCTEOSA-N 1 3 345.484 -0.379 20 0 EBADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@H](O)COC)CC1 ZINC001098540375 819238635 /nfs/dbraw/zinc/23/86/35/819238635.db2.gz HBVIOUGVEWDHED-INIZCTEOSA-N 1 3 345.484 -0.379 20 0 EBADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001098951565 819394533 /nfs/dbraw/zinc/39/45/33/819394533.db2.gz PBARAYCIFJRHOF-MVKZVMCQSA-N 1 3 335.448 -0.187 20 0 EBADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001098951565 819394541 /nfs/dbraw/zinc/39/45/41/819394541.db2.gz PBARAYCIFJRHOF-MVKZVMCQSA-N 1 3 335.448 -0.187 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCN2CCCC2=O)C[C@@H]1O ZINC001099988349 819995725 /nfs/dbraw/zinc/99/57/25/819995725.db2.gz HENFDTLKDPJUPG-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO COCCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050676 820126006 /nfs/dbraw/zinc/12/60/06/820126006.db2.gz LGERPNZMUHODKH-HUUCEWRRSA-N 1 3 329.441 -0.705 20 0 EBADHO COCCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050677 820126128 /nfs/dbraw/zinc/12/61/28/820126128.db2.gz LGERPNZMUHODKH-LSDHHAIUSA-N 1 3 329.441 -0.705 20 0 EBADHO CCCCOCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074674 820165934 /nfs/dbraw/zinc/16/59/34/820165934.db2.gz QXFWQWUTSPPYLT-JKSUJKDBSA-N 1 3 345.484 -0.067 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001100443699 820423615 /nfs/dbraw/zinc/42/36/15/820423615.db2.gz WCXAYRGPIWXGIF-JXQTWKCFSA-N 1 3 348.513 -0.250 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001100442489 820423704 /nfs/dbraw/zinc/42/37/04/820423704.db2.gz JUJWGRIUHFFNOF-HTAVTVPLSA-N 1 3 327.429 -0.733 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1 ZINC001100904708 820595337 /nfs/dbraw/zinc/59/53/37/820595337.db2.gz CNJGCKZABUXWDC-UHFFFAOYSA-N 1 3 348.513 -0.248 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100918384 820601844 /nfs/dbraw/zinc/60/18/44/820601844.db2.gz SJRCRMINZYCFLJ-UHFFFAOYSA-N 1 3 334.424 -0.230 20 0 EBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511258 821134840 /nfs/dbraw/zinc/13/48/40/821134840.db2.gz PJOCNINUFBNUJJ-ZIAGYGMSSA-N 1 3 328.457 -0.663 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001104348841 821488699 /nfs/dbraw/zinc/48/86/99/821488699.db2.gz XNZCIBABMVKXDT-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001316622425 821819848 /nfs/dbraw/zinc/81/98/48/821819848.db2.gz NVEJFKOYWNHUNE-COMQUAJESA-N 1 3 338.452 -0.138 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001316635875 821822198 /nfs/dbraw/zinc/82/21/98/821822198.db2.gz HOXXFXATKNXEIV-XDQVBPFNSA-N 1 3 336.436 -0.382 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001317344695 822089248 /nfs/dbraw/zinc/08/92/48/822089248.db2.gz UBYMXGBWORCJTG-AWEZNQCLSA-N 1 3 338.452 -0.085 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)N(C)C ZINC001106633399 822304272 /nfs/dbraw/zinc/30/42/72/822304272.db2.gz JDPOIURAXDDSKS-YRGRVCCFSA-N 1 3 341.456 -0.548 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132291 828420123 /nfs/dbraw/zinc/42/01/23/828420123.db2.gz BXVOXBVIFNMZOM-GOEBONIOSA-N 1 3 347.463 -0.190 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132291 828420124 /nfs/dbraw/zinc/42/01/24/828420124.db2.gz BXVOXBVIFNMZOM-GOEBONIOSA-N 1 3 347.463 -0.190 20 0 EBADHO CN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364121 828605646 /nfs/dbraw/zinc/60/56/46/828605646.db2.gz PJAIEMHDDBKSSN-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC001129364121 828605648 /nfs/dbraw/zinc/60/56/48/828605648.db2.gz PJAIEMHDDBKSSN-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364118 828606215 /nfs/dbraw/zinc/60/62/15/828606215.db2.gz PJAIEMHDDBKSSN-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC001129364118 828606218 /nfs/dbraw/zinc/60/62/18/828606218.db2.gz PJAIEMHDDBKSSN-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129415753 828616146 /nfs/dbraw/zinc/61/61/46/828616146.db2.gz BUJRONYQAJRUAM-GFCCVEGCSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129415753 828616148 /nfs/dbraw/zinc/61/61/48/828616148.db2.gz BUJRONYQAJRUAM-GFCCVEGCSA-N 1 3 327.429 -0.589 20 0 EBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430036 828617789 /nfs/dbraw/zinc/61/77/89/828617789.db2.gz NCRRMSORDRTNOI-UONOGXRCSA-N 1 3 336.436 -0.096 20 0 EBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430036 828617790 /nfs/dbraw/zinc/61/77/90/828617790.db2.gz NCRRMSORDRTNOI-UONOGXRCSA-N 1 3 336.436 -0.096 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC1CCOCC1)C1CC1 ZINC001129435560 828618216 /nfs/dbraw/zinc/61/82/16/828618216.db2.gz HKNFCKABFMVXNK-OAHLLOKOSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437146 828620523 /nfs/dbraw/zinc/62/05/23/828620523.db2.gz VYTLTCMPVWUULP-GXTWGEPZSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1)C1CCC1 ZINC001129535578 828632289 /nfs/dbraw/zinc/63/22/89/828632289.db2.gz XHZIZMRMMIKFQV-HZPDHXFCSA-N 1 3 343.468 -0.267 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O)C1CCC1 ZINC001129532221 828631269 /nfs/dbraw/zinc/63/12/69/828631269.db2.gz VSBYDCXSZLKXCV-UHFFFAOYSA-N 1 3 332.470 -0.788 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001130421897 828827250 /nfs/dbraw/zinc/82/72/50/828827250.db2.gz NRRBKNFISQRNAC-HUUCEWRRSA-N 1 3 345.484 -0.021 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001130419270 828828248 /nfs/dbraw/zinc/82/82/48/828828248.db2.gz RYVAVXOYWUNDBH-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001130419270 828828259 /nfs/dbraw/zinc/82/82/59/828828259.db2.gz RYVAVXOYWUNDBH-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929827 833027889 /nfs/dbraw/zinc/02/78/89/833027889.db2.gz WVVOCPPXSJWOOZ-ZFWWWQNUSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226631 833059704 /nfs/dbraw/zinc/05/97/04/833059704.db2.gz DKKHIIPVADDCAM-XHSDSOJGSA-N 1 3 345.484 -0.071 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001181652196 833170713 /nfs/dbraw/zinc/17/07/13/833170713.db2.gz KGHDGQDEBXHNLK-GHMZBOCLSA-N 1 3 336.358 -0.050 20 0 EBADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2)N(C)C ZINC001121798405 827451296 /nfs/dbraw/zinc/45/12/96/827451296.db2.gz MSGLEHVPLXXVMI-VDOARHDCSA-N 1 3 339.440 -0.462 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001122033649 827507427 /nfs/dbraw/zinc/50/74/27/827507427.db2.gz ZQADTDQOKQMNGG-KRWDZBQOSA-N 1 3 341.452 -0.118 20 0 EBADHO CS(=O)(=O)CCN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623847 833249284 /nfs/dbraw/zinc/24/92/84/833249284.db2.gz SOUKUIJSPTVONG-ZIAGYGMSSA-N 1 3 329.466 -0.437 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866926 827969611 /nfs/dbraw/zinc/96/96/11/827969611.db2.gz NXBIYPLRJRPCDL-VXGBXAGGSA-N 1 3 327.429 -0.591 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183437222 833290450 /nfs/dbraw/zinc/29/04/50/833290450.db2.gz VBNILTYLRZKHNE-CVEARBPZSA-N 1 3 342.484 -0.084 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450742 833291106 /nfs/dbraw/zinc/29/11/06/833291106.db2.gz YFUKDPNOJOZAAK-UPJWGTAASA-N 1 3 341.456 -0.393 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127060787 828247259 /nfs/dbraw/zinc/24/72/59/828247259.db2.gz HKAWVNVFHFVSKQ-OLZOCXBDSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127060787 828247264 /nfs/dbraw/zinc/24/72/64/828247264.db2.gz HKAWVNVFHFVSKQ-OLZOCXBDSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257196 828269244 /nfs/dbraw/zinc/26/92/44/828269244.db2.gz WGYPUHXWGNZQTM-OLZOCXBDSA-N 1 3 339.440 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257196 828269253 /nfs/dbraw/zinc/26/92/53/828269253.db2.gz WGYPUHXWGNZQTM-OLZOCXBDSA-N 1 3 339.440 -0.588 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(F)(F)F ZINC001127474031 828296971 /nfs/dbraw/zinc/29/69/71/828296971.db2.gz GIEJHBXHJCRPNV-NSHDSACASA-N 1 3 336.358 -0.288 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475292 828297149 /nfs/dbraw/zinc/29/71/49/828297149.db2.gz SQBYWUMTNMZHHQ-AAEUAGOBSA-N 1 3 339.440 -0.732 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659539 828313779 /nfs/dbraw/zinc/31/37/79/828313779.db2.gz FDOOFVVTVCQVEG-YNEHKIRRSA-N 1 3 341.456 -0.345 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659539 828313786 /nfs/dbraw/zinc/31/37/86/828313786.db2.gz FDOOFVVTVCQVEG-YNEHKIRRSA-N 1 3 341.456 -0.345 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127695248 828314402 /nfs/dbraw/zinc/31/44/02/828314402.db2.gz GQAKTLKCIFXHCU-QWHCGFSZSA-N 1 3 339.440 -0.589 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001127695248 828314414 /nfs/dbraw/zinc/31/44/14/828314414.db2.gz GQAKTLKCIFXHCU-QWHCGFSZSA-N 1 3 339.440 -0.589 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760972 828322006 /nfs/dbraw/zinc/32/20/06/828322006.db2.gz WTOFGYIARNDCJY-CABCVRRESA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760972 828322016 /nfs/dbraw/zinc/32/20/16/828322016.db2.gz WTOFGYIARNDCJY-CABCVRRESA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784980 828329257 /nfs/dbraw/zinc/32/92/57/828329257.db2.gz CUGRVABMXPLJKC-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784980 828329266 /nfs/dbraw/zinc/32/92/66/828329266.db2.gz CUGRVABMXPLJKC-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184432987 833330037 /nfs/dbraw/zinc/33/00/37/833330037.db2.gz CMCINZLWZBSFSW-YXXKGXSTSA-N 1 3 336.436 -0.872 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001185089767 833346638 /nfs/dbraw/zinc/34/66/38/833346638.db2.gz CUHCORFHKWZWAX-CHWSQXEVSA-N 1 3 339.440 -0.506 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001185089767 833346641 /nfs/dbraw/zinc/34/66/41/833346641.db2.gz CUHCORFHKWZWAX-CHWSQXEVSA-N 1 3 339.440 -0.506 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185669826 833366585 /nfs/dbraw/zinc/36/65/85/833366585.db2.gz YLCVAOYCZKPYFG-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185669826 833366587 /nfs/dbraw/zinc/36/65/87/833366587.db2.gz YLCVAOYCZKPYFG-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001185705387 833367482 /nfs/dbraw/zinc/36/74/82/833367482.db2.gz AGVNQQRMBZWCAM-VXGBXAGGSA-N 1 3 341.456 -0.262 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1)N(C)C ZINC001185715411 833367982 /nfs/dbraw/zinc/36/79/82/833367982.db2.gz FTQVMFSERUSZCK-KGLIPLIRSA-N 1 3 348.513 -0.154 20 0 EBADHO O=C(NCC[NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522274 829154196 /nfs/dbraw/zinc/15/41/96/829154196.db2.gz ZTKZEWAZRWZZEK-FMPXUHTOSA-N 1 3 345.390 -0.020 20 0 EBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525645 829154275 /nfs/dbraw/zinc/15/42/75/829154275.db2.gz DGLCQHIWKHAUDJ-PEUXKQIOSA-N 1 3 338.452 -0.530 20 0 EBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525645 829154283 /nfs/dbraw/zinc/15/42/83/829154283.db2.gz DGLCQHIWKHAUDJ-PEUXKQIOSA-N 1 3 338.452 -0.530 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)C(C)C ZINC001186428578 833401419 /nfs/dbraw/zinc/40/14/19/833401419.db2.gz RNULYXCCTFMLOA-OCCSQVGLSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001186457797 833402158 /nfs/dbraw/zinc/40/21/58/833402158.db2.gz BELUBZVJWITUEX-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286956 829407151 /nfs/dbraw/zinc/40/71/51/829407151.db2.gz OWFMEYZNVPJHRT-UHFFFAOYSA-N 1 3 334.486 -0.494 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186552977 833405607 /nfs/dbraw/zinc/40/56/07/833405607.db2.gz MSEGMTVZNBHNJA-CQSZACIVSA-N 1 3 340.468 -0.342 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(=O)NC(N)=O ZINC001186568877 833406474 /nfs/dbraw/zinc/40/64/74/833406474.db2.gz MGWMMWWBSCAEGF-CHWSQXEVSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)CN1CCOCCO ZINC001132425504 829454096 /nfs/dbraw/zinc/45/40/96/829454096.db2.gz ILPRODFLFFQAMU-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)C1 ZINC001132738435 829511750 /nfs/dbraw/zinc/51/17/50/829511750.db2.gz CTKOHEOQZPGZQJ-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)C1 ZINC001132738435 829511758 /nfs/dbraw/zinc/51/17/58/829511758.db2.gz CTKOHEOQZPGZQJ-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCCOCC)C1 ZINC001132737904 829511862 /nfs/dbraw/zinc/51/18/62/829511862.db2.gz SGDKVCPIPGNRCF-HNNXBMFYSA-N 1 3 342.484 -0.033 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCCOCC)C1 ZINC001132737904 829511864 /nfs/dbraw/zinc/51/18/64/829511864.db2.gz SGDKVCPIPGNRCF-HNNXBMFYSA-N 1 3 342.484 -0.033 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001132738437 829511899 /nfs/dbraw/zinc/51/18/99/829511899.db2.gz CTKOHEOQZPGZQJ-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001132738437 829511902 /nfs/dbraw/zinc/51/19/02/829511902.db2.gz CTKOHEOQZPGZQJ-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCCCOC)C1 ZINC001132737669 829512057 /nfs/dbraw/zinc/51/20/57/829512057.db2.gz OPLTXUWQUXKCKN-HNNXBMFYSA-N 1 3 342.484 -0.033 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCCCOC)C1 ZINC001132737669 829512059 /nfs/dbraw/zinc/51/20/59/829512059.db2.gz OPLTXUWQUXKCKN-HNNXBMFYSA-N 1 3 342.484 -0.033 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886883 829544827 /nfs/dbraw/zinc/54/48/27/829544827.db2.gz VOKHKUSUTBDOGE-RYUDHWBXSA-N 1 3 327.429 -0.732 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886883 829544830 /nfs/dbraw/zinc/54/48/30/829544830.db2.gz VOKHKUSUTBDOGE-RYUDHWBXSA-N 1 3 327.429 -0.732 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001132893623 829545865 /nfs/dbraw/zinc/54/58/65/829545865.db2.gz WEFXJPBKERZWKV-ZNMIVQPWSA-N 1 3 340.468 -0.425 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC[N@H+]1C ZINC001132893623 829545870 /nfs/dbraw/zinc/54/58/70/829545870.db2.gz WEFXJPBKERZWKV-ZNMIVQPWSA-N 1 3 340.468 -0.425 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178252 829598417 /nfs/dbraw/zinc/59/84/17/829598417.db2.gz NLJHVHXGWUNVEL-QWHCGFSZSA-N 1 3 341.456 -0.403 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NCc1cccnc1)[NH+](C)C ZINC001133415844 829629870 /nfs/dbraw/zinc/62/98/70/829629870.db2.gz QTNZDUOHTCLTDH-MRXNPFEDSA-N 1 3 335.452 -0.010 20 0 EBADHO CC[C@@H](C(=O)NCCNCC(=O)N1CCOCC1)[NH+](CC)CC ZINC001133684804 829661239 /nfs/dbraw/zinc/66/12/39/829661239.db2.gz MUYYHMBTWQPSGK-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823857 829679487 /nfs/dbraw/zinc/67/94/87/829679487.db2.gz QZSMKNQCMSYEGR-ZDUSSCGKSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823857 829679490 /nfs/dbraw/zinc/67/94/90/829679490.db2.gz QZSMKNQCMSYEGR-ZDUSSCGKSA-N 1 3 341.456 -0.342 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850897 829687142 /nfs/dbraw/zinc/68/71/42/829687142.db2.gz QPWHWLRKOJBKIP-CYBMUJFWSA-N 1 3 341.456 -0.340 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850897 829687147 /nfs/dbraw/zinc/68/71/47/829687147.db2.gz QPWHWLRKOJBKIP-CYBMUJFWSA-N 1 3 341.456 -0.340 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133864230 829690200 /nfs/dbraw/zinc/69/02/00/829690200.db2.gz XJPXZFPNHNVWEU-CHWSQXEVSA-N 1 3 341.456 -0.628 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133864230 829690202 /nfs/dbraw/zinc/69/02/02/829690202.db2.gz XJPXZFPNHNVWEU-CHWSQXEVSA-N 1 3 341.456 -0.628 20 0 EBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133896876 829694913 /nfs/dbraw/zinc/69/49/13/829694913.db2.gz SSKVWWSAFLNLJF-UHFFFAOYSA-N 1 3 339.440 -0.634 20 0 EBADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001133896459 829695493 /nfs/dbraw/zinc/69/54/93/829695493.db2.gz JVEMWJPLMMWPSE-AWEZNQCLSA-N 1 3 340.468 -0.593 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020835 829713446 /nfs/dbraw/zinc/71/34/46/829713446.db2.gz IGRZGNMWXMQKIH-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)NC(=O)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134058271 829719947 /nfs/dbraw/zinc/71/99/47/829719947.db2.gz HIFULYQZDAKRNJ-CQSZACIVSA-N 1 3 328.457 -0.282 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095942 829898460 /nfs/dbraw/zinc/89/84/60/829898460.db2.gz XEWNWJLZRORAIX-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)S(C)(=O)=O ZINC001135095942 829898462 /nfs/dbraw/zinc/89/84/62/829898462.db2.gz XEWNWJLZRORAIX-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CCCC[C@@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135118783 829900473 /nfs/dbraw/zinc/90/04/73/829900473.db2.gz SJGMXHXFEVUDSM-CQSZACIVSA-N 1 3 338.456 -0.192 20 0 EBADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCC(C)(C)C1 ZINC001135468067 829971934 /nfs/dbraw/zinc/97/19/34/829971934.db2.gz LWHKDCUSQMGSIS-VXGBXAGGSA-N 1 3 341.456 -0.214 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)NCC2CCC2)CC1 ZINC001135958998 830052005 /nfs/dbraw/zinc/05/20/05/830052005.db2.gz ILVSFXLHBABNAO-UHFFFAOYSA-N 1 3 340.468 -0.281 20 0 EBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963383 830052896 /nfs/dbraw/zinc/05/28/96/830052896.db2.gz INKBIKQKXIXCJL-CYBMUJFWSA-N 1 3 328.457 -0.282 20 0 EBADHO NC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333676 830323100 /nfs/dbraw/zinc/32/31/00/830323100.db2.gz UMWSPZNGRQFOEX-UHFFFAOYSA-N 1 3 325.413 -0.991 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2)C1CC1 ZINC001147724198 830401366 /nfs/dbraw/zinc/40/13/66/830401366.db2.gz HFZLPDPWBNMWBQ-OAHLLOKOSA-N 1 3 325.453 -0.130 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2)C1CC1 ZINC001147724198 830401371 /nfs/dbraw/zinc/40/13/71/830401371.db2.gz HFZLPDPWBNMWBQ-OAHLLOKOSA-N 1 3 325.453 -0.130 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725096 830403112 /nfs/dbraw/zinc/40/31/12/830403112.db2.gz SEZOVFBJCHHYEZ-LSDHHAIUSA-N 1 3 325.453 -0.132 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725096 830403116 /nfs/dbraw/zinc/40/31/16/830403116.db2.gz SEZOVFBJCHHYEZ-LSDHHAIUSA-N 1 3 325.453 -0.132 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876994 830424361 /nfs/dbraw/zinc/42/43/61/830424361.db2.gz BLDXZNYWTDHCTJ-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147876994 830424364 /nfs/dbraw/zinc/42/43/64/830424364.db2.gz BLDXZNYWTDHCTJ-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893804 830427215 /nfs/dbraw/zinc/42/72/15/830427215.db2.gz UDHDEXUJXZHMHR-CQSZACIVSA-N 1 3 346.472 -0.798 20 0 EBADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)N1CCC(C)CC1 ZINC001147891530 830427390 /nfs/dbraw/zinc/42/73/90/830427390.db2.gz BNGXODUQKPXMDA-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900454 830427982 /nfs/dbraw/zinc/42/79/82/830427982.db2.gz NFWWACVXNHESCF-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900454 830427984 /nfs/dbraw/zinc/42/79/84/830427984.db2.gz NFWWACVXNHESCF-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900880 830428380 /nfs/dbraw/zinc/42/83/80/830428380.db2.gz XSWVXBNQKIKFPE-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900880 830428384 /nfs/dbraw/zinc/42/83/84/830428384.db2.gz XSWVXBNQKIKFPE-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@@H]1CCCO1 ZINC001148000019 830436557 /nfs/dbraw/zinc/43/65/57/830436557.db2.gz IHDJNEOBZHAWNU-KGLIPLIRSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@@H]1CCCO1 ZINC001148000018 830436998 /nfs/dbraw/zinc/43/69/98/830436998.db2.gz IHDJNEOBZHAWNU-KBPBESRZSA-N 1 3 338.452 -0.528 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001148174161 830451061 /nfs/dbraw/zinc/45/10/61/830451061.db2.gz AWXNPTIGVXGFAQ-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193085 830834319 /nfs/dbraw/zinc/83/43/19/830834319.db2.gz LIVIPFRKVWDSSV-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001150478828 830912273 /nfs/dbraw/zinc/91/22/73/830912273.db2.gz AFSNSXBLINOANS-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCCO1 ZINC001150478828 830912277 /nfs/dbraw/zinc/91/22/77/830912277.db2.gz AFSNSXBLINOANS-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CCOCCN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586958 830939113 /nfs/dbraw/zinc/93/91/13/830939113.db2.gz CYXKGPGJKKRVMB-OAHLLOKOSA-N 1 3 331.457 -0.192 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589888 830939868 /nfs/dbraw/zinc/93/98/68/830939868.db2.gz XEEPYFFVCRFAHM-GJZGRUSLSA-N 1 3 341.452 -0.703 20 0 EBADHO CO[C@H](C)CN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590074 830940374 /nfs/dbraw/zinc/94/03/74/830940374.db2.gz YDJGIHOCUIELAJ-HUUCEWRRSA-N 1 3 331.457 -0.193 20 0 EBADHO CO[C@@H](C)CN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590075 830940433 /nfs/dbraw/zinc/94/04/33/830940433.db2.gz YDJGIHOCUIELAJ-LSDHHAIUSA-N 1 3 331.457 -0.193 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606022 830943237 /nfs/dbraw/zinc/94/32/37/830943237.db2.gz ASCGWDROUPUUFQ-HOTGVXAUSA-N 1 3 345.484 -0.067 20 0 EBADHO CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066655 831020647 /nfs/dbraw/zinc/02/06/47/831020647.db2.gz WTPPKBLKWCOAMC-AWEZNQCLSA-N 1 3 336.440 -0.964 20 0 EBADHO CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066655 831020655 /nfs/dbraw/zinc/02/06/55/831020655.db2.gz WTPPKBLKWCOAMC-AWEZNQCLSA-N 1 3 336.440 -0.964 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073467 831022033 /nfs/dbraw/zinc/02/20/33/831022033.db2.gz LWJRKHICVWVBBB-NEPJUHHUSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073467 831022040 /nfs/dbraw/zinc/02/20/40/831022040.db2.gz LWJRKHICVWVBBB-NEPJUHHUSA-N 1 3 327.429 -0.733 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145900 831133820 /nfs/dbraw/zinc/13/38/20/831133820.db2.gz FXCTXGOEDJRQLJ-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001152145615 831133838 /nfs/dbraw/zinc/13/38/38/831133838.db2.gz CMTNGOHHBIJMLC-OKILXGFUSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001152145615 831133843 /nfs/dbraw/zinc/13/38/43/831133843.db2.gz CMTNGOHHBIJMLC-OKILXGFUSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCCN1CCCS1(=O)=O ZINC001152148429 831134196 /nfs/dbraw/zinc/13/41/96/831134196.db2.gz PTOQYMURNOSXRK-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001152149151 831135510 /nfs/dbraw/zinc/13/55/10/831135510.db2.gz VMZATAGKOWZWAD-RYUDHWBXSA-N 1 3 339.440 -0.447 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CCC[NH+]2CCCC2)CCO1 ZINC001152237608 831144568 /nfs/dbraw/zinc/14/45/68/831144568.db2.gz RJDNYEICFXLWGB-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152348938 831153961 /nfs/dbraw/zinc/15/39/61/831153961.db2.gz SYNFBWZEQANKNC-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152339756 831154263 /nfs/dbraw/zinc/15/42/63/831154263.db2.gz BBAYCSVGIOJFSG-UHFFFAOYSA-N 1 3 327.429 -0.586 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001152427186 831161818 /nfs/dbraw/zinc/16/18/18/831161818.db2.gz UHJLHZOQURRTJU-NSHDSACASA-N 1 3 329.363 -0.028 20 0 EBADHO Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3CCCN3C)C2=O)cn1 ZINC001155813559 831431827 /nfs/dbraw/zinc/43/18/27/831431827.db2.gz SDKXHADAXUCSJW-GJZGRUSLSA-N 1 3 348.451 -0.285 20 0 EBADHO [NH3+]CCCC[C@H](NC(=O)C[C@H]1CNCCO1)C(=O)N1CCCC1 ZINC001157379953 831562961 /nfs/dbraw/zinc/56/29/61/831562961.db2.gz RYVAJBRZCKDGOM-KBPBESRZSA-N 1 3 326.441 -0.399 20 0 EBADHO O=C(N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157592864 831580482 /nfs/dbraw/zinc/58/04/82/831580482.db2.gz QYYKHGJFXNJVNJ-NRTGNBEESA-N 1 3 342.443 -0.007 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001157717016 831586597 /nfs/dbraw/zinc/58/65/97/831586597.db2.gz WFTRXPPWCRIODZ-YEWDVWPNSA-N 1 3 344.415 -0.457 20 0 EBADHO C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157997106 831616943 /nfs/dbraw/zinc/61/69/43/831616943.db2.gz IFGWKLMJCKJZQQ-HEHGZKQESA-N 1 3 326.441 -0.583 20 0 EBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H](O)CN)C2 ZINC001158479302 831659018 /nfs/dbraw/zinc/65/90/18/831659018.db2.gz IYFZOGKVQIUIEI-GDZNZVCISA-N 1 3 339.436 -0.523 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934969 831696904 /nfs/dbraw/zinc/69/69/04/831696904.db2.gz LZSPXOYTBNBOIF-QLFBSQMISA-N 1 3 331.420 -0.150 20 0 EBADHO COC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)Cc2cn(C)nc21 ZINC001159017165 831703942 /nfs/dbraw/zinc/70/39/42/831703942.db2.gz ANYPGIJWUQGIBR-JJRVBVJISA-N 1 3 333.436 -0.309 20 0 EBADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001159084002 831707672 /nfs/dbraw/zinc/70/76/72/831707672.db2.gz FBWDOPBWRZYBIT-MELADBBJSA-N 1 3 334.424 -0.417 20 0 EBADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]21 ZINC001159108780 831708959 /nfs/dbraw/zinc/70/89/59/831708959.db2.gz GWFGWPIYUYZQMY-ZOBORPQBSA-N 1 3 326.441 -0.558 20 0 EBADHO NC[C@H](N)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159157381 831712601 /nfs/dbraw/zinc/71/26/01/831712601.db2.gz FBNATXAZFAFRMJ-UGUYLWEFSA-N 1 3 347.467 -0.735 20 0 EBADHO NC[C@H](N)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159157381 831712605 /nfs/dbraw/zinc/71/26/05/831712605.db2.gz FBNATXAZFAFRMJ-UGUYLWEFSA-N 1 3 347.467 -0.735 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001159155114 831712800 /nfs/dbraw/zinc/71/28/00/831712800.db2.gz JDSSVBSFIQJWPS-NSHDSACASA-N 1 3 333.408 -0.782 20 0 EBADHO N[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)C1CC[NH2+]CC1 ZINC001159273679 831733679 /nfs/dbraw/zinc/73/36/79/831733679.db2.gz SXGWPUNIPOPSJY-IJEWVQPXSA-N 1 3 346.435 -0.781 20 0 EBADHO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001159519796 831759227 /nfs/dbraw/zinc/75/92/27/831759227.db2.gz MVXXOHDEQIRDEJ-GFCCVEGCSA-N 1 3 337.428 -0.945 20 0 EBADHO [NH3+]C[C@H](O)CC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668586 831771537 /nfs/dbraw/zinc/77/15/37/831771537.db2.gz YNDJLNKBQVNBGX-BZUAXINKSA-N 1 3 334.420 -0.407 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1CC1 ZINC001159915252 831797152 /nfs/dbraw/zinc/79/71/52/831797152.db2.gz IKIGYBDLXJMHKH-CYBMUJFWSA-N 1 3 334.486 -0.686 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997341 831804651 /nfs/dbraw/zinc/80/46/51/831804651.db2.gz MLVYIFUXXYIZRJ-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160017973 831805906 /nfs/dbraw/zinc/80/59/06/831805906.db2.gz DFXABBABQHITCY-YJNKXOJESA-N 1 3 338.452 -0.177 20 0 EBADHO Cc1ccc(N(C(=O)[C@@H](N)CN)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049500 831810400 /nfs/dbraw/zinc/81/04/00/831810400.db2.gz AABDRVDDSIJREP-XEZPLFJOSA-N 1 3 334.424 -0.685 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160155851 831820190 /nfs/dbraw/zinc/82/01/90/831820190.db2.gz MMPUDYVNTGADKA-MJBXVCDLSA-N 1 3 328.482 -0.673 20 0 EBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CCO2 ZINC001160178225 831821868 /nfs/dbraw/zinc/82/18/68/831821868.db2.gz GNVBMEHXUUXORF-RHSMWYFYSA-N 1 3 336.436 -0.965 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193857 831823719 /nfs/dbraw/zinc/82/37/19/831823719.db2.gz RXQPGKLXLGTARW-LBPRGKRZSA-N 1 3 332.412 -0.679 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421847 831848739 /nfs/dbraw/zinc/84/87/39/831848739.db2.gz VGKCCMQLMXMBMK-STQMWFEESA-N 1 3 343.472 -0.097 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(CCc2ccccn2)CC1 ZINC001160483689 831854939 /nfs/dbraw/zinc/85/49/39/831854939.db2.gz VILBWEHLYZPBOA-MRXNPFEDSA-N 1 3 329.448 -0.423 20 0 EBADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160747473 831882646 /nfs/dbraw/zinc/88/26/46/831882646.db2.gz SKQPQGAVNYNHDK-NEPJUHHUSA-N 1 3 332.470 -0.851 20 0 EBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772525 831884608 /nfs/dbraw/zinc/88/46/08/831884608.db2.gz TVYRRELESBRLDM-ZDUSSCGKSA-N 1 3 336.436 -0.632 20 0 EBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772525 831884610 /nfs/dbraw/zinc/88/46/10/831884610.db2.gz TVYRRELESBRLDM-ZDUSSCGKSA-N 1 3 336.436 -0.632 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805330 831888511 /nfs/dbraw/zinc/88/85/11/831888511.db2.gz AMZXLFNPSUKHFY-HNNXBMFYSA-N 1 3 332.452 -0.519 20 0 EBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001160806758 831889285 /nfs/dbraw/zinc/88/92/85/831889285.db2.gz VEAYWAKKZOTTCW-GFCCVEGCSA-N 1 3 347.419 -0.747 20 0 EBADHO Nc1cccnc1N1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160825605 831892442 /nfs/dbraw/zinc/89/24/42/831892442.db2.gz FMSJCZRBLZGRRE-HNNXBMFYSA-N 1 3 347.467 -0.937 20 0 EBADHO N[C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)C1 ZINC001160838410 831893214 /nfs/dbraw/zinc/89/32/14/831893214.db2.gz IKHBTXSRXOBMHT-KGLIPLIRSA-N 1 3 345.451 -0.585 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)N(C)C ZINC001160889646 831904113 /nfs/dbraw/zinc/90/41/13/831904113.db2.gz NKPIQVIXEOBOFR-CYBMUJFWSA-N 1 3 339.440 -0.980 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010748 831913429 /nfs/dbraw/zinc/91/34/29/831913429.db2.gz MEIPGGYTQWTOGZ-AWEZNQCLSA-N 1 3 342.399 -0.121 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(C)C2(C)CC[NH2+]CC2)COC1(C)C ZINC001161073549 831920088 /nfs/dbraw/zinc/92/00/88/831920088.db2.gz PSUBFLHYBFKUBG-RYUDHWBXSA-N 1 3 326.441 -0.102 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(O)CC1 ZINC001161183260 831935655 /nfs/dbraw/zinc/93/56/55/831935655.db2.gz XALPFDFDQKRNDE-KBPBESRZSA-N 1 3 326.441 -0.583 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269524 831943030 /nfs/dbraw/zinc/94/30/30/831943030.db2.gz HALPQDYIUGZIPL-ZDUSSCGKSA-N 1 3 332.470 -0.531 20 0 EBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)nc1 ZINC001161299015 831945429 /nfs/dbraw/zinc/94/54/29/831945429.db2.gz REILCAZYRAJAAB-PBFPGSCMSA-N 1 3 347.419 -0.336 20 0 EBADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001161306522 831946565 /nfs/dbraw/zinc/94/65/65/831946565.db2.gz ONZQBHJVLWTROB-AWEZNQCLSA-N 1 3 331.420 -0.631 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380830 831951172 /nfs/dbraw/zinc/95/11/72/831951172.db2.gz VVBNSWTYEQODSU-BJJXKVORSA-N 1 3 339.484 -0.500 20 0 EBADHO COC(=O)[C@@H]1C[C@H](C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCN1 ZINC001161444340 831958144 /nfs/dbraw/zinc/95/81/44/831958144.db2.gz GIYOYQGWVJDCMT-KFWWJZLASA-N 1 3 340.468 -0.330 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCn2ncc(Br)c2C1 ZINC001161523872 831969220 /nfs/dbraw/zinc/96/92/20/831969220.db2.gz RPQHPCQKYFGFAU-SECBINFHSA-N 1 3 340.225 -0.203 20 0 EBADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001161572816 831974043 /nfs/dbraw/zinc/97/40/43/831974043.db2.gz ZGKXBYYYTGVNGG-CYBMUJFWSA-N 1 3 330.388 -0.438 20 0 EBADHO O=C(NCCC[NH2+]CCn1cccn1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162857598 832067376 /nfs/dbraw/zinc/06/73/76/832067376.db2.gz QGHROGQWFFDNKE-CKDBGZEDSA-N 1 3 333.436 -0.158 20 0 EBADHO O=C(NCCC[NH2+][C@H]1CCCNC1=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872382 832068941 /nfs/dbraw/zinc/06/89/41/832068941.db2.gz QDLRRDNFEZNTKB-YRTQGLMCSA-N 1 3 336.436 -0.776 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001350040698 832108479 /nfs/dbraw/zinc/10/84/79/832108479.db2.gz FZSOPHCOBDDPFK-AWEZNQCLSA-N 1 3 339.484 -0.804 20 0 EBADHO CN(c1ncc(OCC2CC[NH+](C)CC2)cn1)S(=O)(=O)CCN ZINC001164287503 832180913 /nfs/dbraw/zinc/18/09/13/832180913.db2.gz SMWFQQQNCWHHTQ-UHFFFAOYSA-N 1 3 343.453 -0.078 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001350780336 832193886 /nfs/dbraw/zinc/19/38/86/832193886.db2.gz QKOWJVWCMOSDDH-HNNXBMFYSA-N 1 3 340.468 -0.280 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166009877 832245956 /nfs/dbraw/zinc/24/59/56/832245956.db2.gz ARLYTVSHPCFWNV-NWDGAFQWSA-N 1 3 329.445 -0.487 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C ZINC001166010170 832245968 /nfs/dbraw/zinc/24/59/68/832245968.db2.gz JNHJYZCCIFIJNE-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001166633456 832275133 /nfs/dbraw/zinc/27/51/33/832275133.db2.gz GIUJCKQVNHPNHA-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634186 832276391 /nfs/dbraw/zinc/27/63/91/832276391.db2.gz QGMSTVZMZASCBC-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001166678535 832279956 /nfs/dbraw/zinc/27/99/56/832279956.db2.gz WFTZZQNNVAQRLD-ZDUSSCGKSA-N 1 3 339.440 -0.634 20 0 EBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166687069 832280172 /nfs/dbraw/zinc/28/01/72/832280172.db2.gz IITATJRPCGXYCD-HNNXBMFYSA-N 1 3 345.419 -0.510 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708615 832282395 /nfs/dbraw/zinc/28/23/95/832282395.db2.gz UUTWQCJZHMWSNU-QWHCGFSZSA-N 1 3 334.424 -0.291 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708615 832282402 /nfs/dbraw/zinc/28/24/02/832282402.db2.gz UUTWQCJZHMWSNU-QWHCGFSZSA-N 1 3 334.424 -0.291 20 0 EBADHO CN(CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001166744446 832287155 /nfs/dbraw/zinc/28/71/55/832287155.db2.gz XJWKWZSLIWTIJB-LBPRGKRZSA-N 1 3 326.441 -0.135 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001167627490 832360560 /nfs/dbraw/zinc/36/05/60/832360560.db2.gz ONVTVMJPQOPIOJ-GFCCVEGCSA-N 1 3 327.429 -0.460 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001167636680 832361329 /nfs/dbraw/zinc/36/13/29/832361329.db2.gz XZLLUSLLYKTJGO-CHWSQXEVSA-N 1 3 341.456 -0.071 20 0 EBADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001167814680 832377221 /nfs/dbraw/zinc/37/72/21/832377221.db2.gz BGRUBVPLOMUUCH-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001167835494 832378179 /nfs/dbraw/zinc/37/81/79/832378179.db2.gz HHCDIKYZSDXDDC-UHFFFAOYSA-N 1 3 348.513 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001168320522 832414214 /nfs/dbraw/zinc/41/42/14/832414214.db2.gz ANCAABRHHLDPMT-UHFFFAOYSA-N 1 3 327.429 -0.602 20 0 EBADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001353278093 832419410 /nfs/dbraw/zinc/41/94/10/832419410.db2.gz KRLSLRYPYOQDGN-AWEZNQCLSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(N[C@@H]1CCCN2CCSC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001353467654 832429158 /nfs/dbraw/zinc/42/91/58/832429158.db2.gz PELWFNLJEDHQAU-KGLIPLIRSA-N 1 3 327.498 -0.229 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001168755761 832434190 /nfs/dbraw/zinc/43/41/90/832434190.db2.gz RSTIRQSHHKDATC-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001168763076 832434280 /nfs/dbraw/zinc/43/42/80/832434280.db2.gz JJMXWXTYHAESPN-UHFFFAOYSA-N 1 3 327.429 -0.634 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001171762387 832575103 /nfs/dbraw/zinc/57/51/03/832575103.db2.gz BXZOLMMUZCKYLS-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001175264265 832619922 /nfs/dbraw/zinc/61/99/22/832619922.db2.gz RNUWYVLAPOFSAE-OLZOCXBDSA-N 1 3 341.456 -0.212 20 0 EBADHO Cn1ccc(N2CC[C@@H](NCCCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057530 832654389 /nfs/dbraw/zinc/65/43/89/832654389.db2.gz PRHZPITZGSBINY-UONOGXRCSA-N 1 3 348.451 -0.427 20 0 EBADHO Cn1ccc(N2CC[C@@H](NCCCNC(=O)[C@H]3CC[N@@H+](C)C3)C2=O)n1 ZINC001176057530 832654390 /nfs/dbraw/zinc/65/43/90/832654390.db2.gz PRHZPITZGSBINY-UONOGXRCSA-N 1 3 348.451 -0.427 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001176992283 832727384 /nfs/dbraw/zinc/72/73/84/832727384.db2.gz LEEKDEVWOASNJD-HOTGVXAUSA-N 1 3 345.484 -0.019 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1CCCN1C ZINC001178356128 832854078 /nfs/dbraw/zinc/85/40/78/832854078.db2.gz IKSUHCCBTDKEEH-MELADBBJSA-N 1 3 346.497 -0.449 20 0 EBADHO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356181 832854383 /nfs/dbraw/zinc/85/43/83/832854383.db2.gz JBZUXIJZFLQESL-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001178698757 832901103 /nfs/dbraw/zinc/90/11/03/832901103.db2.gz STBMKLUNVDJPFR-CQSZACIVSA-N 1 3 341.456 -0.212 20 0 EBADHO C[C@H](COCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)[NH+]1CCCC1 ZINC001179561944 832988332 /nfs/dbraw/zinc/98/83/32/832988332.db2.gz YSULYJMXXPKHDH-RDBSUJKOSA-N 1 3 326.441 -0.448 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187106919 833900935 /nfs/dbraw/zinc/90/09/35/833900935.db2.gz QRWISKKDULXISE-ZIAGYGMSSA-N 1 3 346.497 -0.590 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001187106919 833900941 /nfs/dbraw/zinc/90/09/41/833900941.db2.gz QRWISKKDULXISE-ZIAGYGMSSA-N 1 3 346.497 -0.590 20 0 EBADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187121778 833902627 /nfs/dbraw/zinc/90/26/27/833902627.db2.gz LJHYYTVGRAGCJI-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158412 834017549 /nfs/dbraw/zinc/01/75/49/834017549.db2.gz NPUAYCOTOGLWGH-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001188158678 834017968 /nfs/dbraw/zinc/01/79/68/834017968.db2.gz UHEWPWNSSPFKLL-CABCVRRESA-N 1 3 340.468 -0.500 20 0 EBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221525 834246063 /nfs/dbraw/zinc/24/60/63/834246063.db2.gz DDIKZINZVVTVCU-HZPDHXFCSA-N 1 3 325.453 -0.130 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COCCOC)C1 ZINC001192970864 834773451 /nfs/dbraw/zinc/77/34/51/834773451.db2.gz ZLSPOLRIAFIYIO-HOTGVXAUSA-N 1 3 345.484 -0.115 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COCCOC)C1 ZINC001192970864 834773455 /nfs/dbraw/zinc/77/34/55/834773455.db2.gz ZLSPOLRIAFIYIO-HOTGVXAUSA-N 1 3 345.484 -0.115 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001197826018 835613996 /nfs/dbraw/zinc/61/39/96/835613996.db2.gz MFCRPXHDKUMTLS-RBSFLKMASA-N 1 3 329.441 -0.705 20 0 EBADHO CC(C)COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673117 835707682 /nfs/dbraw/zinc/70/76/82/835707682.db2.gz YUIOTLMHGBZKIW-ARFHVFGLSA-N 1 3 343.468 -0.723 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788716 835861127 /nfs/dbraw/zinc/86/11/27/835861127.db2.gz YEPJABMFHFLSEH-ZDUSSCGKSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200658499 836010081 /nfs/dbraw/zinc/01/00/81/836010081.db2.gz OPUPPVXIWCBISG-GJZGRUSLSA-N 1 3 338.452 -0.482 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001200687441 836015508 /nfs/dbraw/zinc/01/55/08/836015508.db2.gz BEIKONNQMZQQLZ-GJZGRUSLSA-N 1 3 340.468 -0.343 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001200687441 836015521 /nfs/dbraw/zinc/01/55/21/836015521.db2.gz BEIKONNQMZQQLZ-GJZGRUSLSA-N 1 3 340.468 -0.343 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688683 836016834 /nfs/dbraw/zinc/01/68/34/836016834.db2.gz TYKHIRXZRSKCPK-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688786 836017074 /nfs/dbraw/zinc/01/70/74/836017074.db2.gz VZIOVJDPCUTJOJ-HUUCEWRRSA-N 1 3 343.468 -0.315 20 0 EBADHO CN(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)C1CC1 ZINC001200688628 836017411 /nfs/dbraw/zinc/01/74/11/836017411.db2.gz SNXNNKFILXILCX-CVEARBPZSA-N 1 3 343.468 -0.457 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001200852139 836048553 /nfs/dbraw/zinc/04/85/53/836048553.db2.gz WANGZHYUMFYUKN-HUUCEWRRSA-N 1 3 345.484 -0.069 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887675 836060479 /nfs/dbraw/zinc/06/04/79/836060479.db2.gz OTHIDSORCYGNTP-AWEZNQCLSA-N 1 3 338.452 -0.432 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1)C(N)=O ZINC001200887136 836060694 /nfs/dbraw/zinc/06/06/94/836060694.db2.gz IDXYOVNDBBIAFU-UONOGXRCSA-N 1 3 338.452 -0.304 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052911 836086760 /nfs/dbraw/zinc/08/67/60/836086760.db2.gz IFFNLURBZUACAE-AWEZNQCLSA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277617 836121878 /nfs/dbraw/zinc/12/18/78/836121878.db2.gz VVNLCNOSWNBGBD-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CN1CC[C@@H](NC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)C1=O ZINC001201277456 836122361 /nfs/dbraw/zinc/12/23/61/836122361.db2.gz SRNIUWRUMBDALJ-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CC[C@@H](NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201334997 836130760 /nfs/dbraw/zinc/13/07/60/836130760.db2.gz MDCAWQCTCSSTQE-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336705 836130867 /nfs/dbraw/zinc/13/08/67/836130867.db2.gz YCLULNNQHLKXTQ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001201335335 836131083 /nfs/dbraw/zinc/13/10/83/836131083.db2.gz NCUMQKMMIUKJKQ-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+](CC)CC ZINC001201389840 836137847 /nfs/dbraw/zinc/13/78/47/836137847.db2.gz NCVUNVVZPYNXOS-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001201482416 836150955 /nfs/dbraw/zinc/15/09/55/836150955.db2.gz IESJRNITQOJIHP-OAHLLOKOSA-N 1 3 349.435 -0.218 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201560155 836160473 /nfs/dbraw/zinc/16/04/73/836160473.db2.gz YTXVMQMAMKFIFG-CABCVRRESA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201560155 836160477 /nfs/dbraw/zinc/16/04/77/836160477.db2.gz YTXVMQMAMKFIFG-CABCVRRESA-N 1 3 340.468 -0.058 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201811090 836196417 /nfs/dbraw/zinc/19/64/17/836196417.db2.gz VOUXCSCGGYQMRR-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201811090 836196419 /nfs/dbraw/zinc/19/64/19/836196419.db2.gz VOUXCSCGGYQMRR-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060244 836247137 /nfs/dbraw/zinc/24/71/37/836247137.db2.gz VYJBMQYUOJBKCB-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060244 836247149 /nfs/dbraw/zinc/24/71/49/836247149.db2.gz VYJBMQYUOJBKCB-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001202148263 836263116 /nfs/dbraw/zinc/26/31/16/836263116.db2.gz SRQGCRVFHUKITL-HOCLYGCPSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001202163840 836267159 /nfs/dbraw/zinc/26/71/59/836267159.db2.gz IQYCKKZNQJOPPN-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001202532477 836312817 /nfs/dbraw/zinc/31/28/17/836312817.db2.gz YPKJNYMZVJWBLA-PWSUYJOCSA-N 1 3 327.429 -0.509 20 0 EBADHO CS(=O)(=O)CCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667269 836332948 /nfs/dbraw/zinc/33/29/48/836332948.db2.gz HDLZGAAEJGHXAF-UHFFFAOYSA-N 1 3 328.438 -0.033 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001203009979 836384553 /nfs/dbraw/zinc/38/45/53/836384553.db2.gz DHMCZVVXXANDOV-UHFFFAOYSA-N 1 3 339.440 -0.539 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC001203460085 836433646 /nfs/dbraw/zinc/43/36/46/836433646.db2.gz MRYZRBRRETYAOC-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203652208 836458069 /nfs/dbraw/zinc/45/80/69/836458069.db2.gz SGAMXCYQRTVSED-RYUDHWBXSA-N 1 3 339.440 -0.460 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001205461324 836567960 /nfs/dbraw/zinc/56/79/60/836567960.db2.gz HDTFCVZKJFAZTH-CQSZACIVSA-N 1 3 339.440 -0.650 20 0 EBADHO CN(CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001205469535 836569300 /nfs/dbraw/zinc/56/93/00/836569300.db2.gz KWAWAODKZBAGRW-UHFFFAOYSA-N 1 3 339.440 -0.506 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001206170215 836628206 /nfs/dbraw/zinc/62/82/06/836628206.db2.gz YRNWTPDDVOYQPH-CQSZACIVSA-N 1 3 341.456 -0.404 20 0 EBADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001206300395 836638627 /nfs/dbraw/zinc/63/86/27/836638627.db2.gz CKFNLVAUKOASQS-AAEUAGOBSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001206653967 836666741 /nfs/dbraw/zinc/66/67/41/836666741.db2.gz QDGNHTMPZIGHBU-LBPRGKRZSA-N 1 3 341.456 -0.260 20 0 EBADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001206890323 836694227 /nfs/dbraw/zinc/69/42/27/836694227.db2.gz LQKSSKULEGRGFV-UHFFFAOYSA-N 1 3 341.456 -0.388 20 0 EBADHO CS(=O)(=O)CCN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208055767 836937699 /nfs/dbraw/zinc/93/76/99/836937699.db2.gz FJJPQFJHFAEYQP-HUUCEWRRSA-N 1 3 343.493 -0.047 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328578 836997747 /nfs/dbraw/zinc/99/77/47/836997747.db2.gz FZGYBDMPTQLYAB-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208374004 837012972 /nfs/dbraw/zinc/01/29/72/837012972.db2.gz UGMDZUIFCBQNDV-JSGCOSHPSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001208414638 837026940 /nfs/dbraw/zinc/02/69/40/837026940.db2.gz UOTLUPYOUBKEOE-UONOGXRCSA-N 1 3 348.513 -0.154 20 0 EBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208638589 837094998 /nfs/dbraw/zinc/09/49/98/837094998.db2.gz JCXOIIFAEFURRG-CWVKQELPSA-N 1 3 336.436 -0.824 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209633157 837183931 /nfs/dbraw/zinc/18/39/31/837183931.db2.gz SEJJAEISHWZVRJ-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CCn1nncc1CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678968 837317732 /nfs/dbraw/zinc/31/77/32/837317732.db2.gz ZBWNYTTUMREMII-AWEZNQCLSA-N 1 3 338.456 -0.043 20 0 EBADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676670 837319048 /nfs/dbraw/zinc/31/90/48/837319048.db2.gz HHSGZOYGSFAMFJ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210811317 837332552 /nfs/dbraw/zinc/33/25/52/837332552.db2.gz LMDGZQFGMIFKKZ-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210810669 837333239 /nfs/dbraw/zinc/33/32/39/837333239.db2.gz CCXBHWPRMADGGZ-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CC[C@@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)OC ZINC001213730234 837853744 /nfs/dbraw/zinc/85/37/44/837853744.db2.gz JQNMPLPLXXENLC-RRFJBIMHSA-N 1 3 331.457 -0.195 20 0 EBADHO CC[C@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)OC ZINC001213730233 837854340 /nfs/dbraw/zinc/85/43/40/837854340.db2.gz JQNMPLPLXXENLC-RBSFLKMASA-N 1 3 331.457 -0.195 20 0 EBADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001318979083 838056085 /nfs/dbraw/zinc/05/60/85/838056085.db2.gz MGVIYXHLKBBHDO-MGPQQGTHSA-N 1 3 348.513 -0.107 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001321756245 839069064 /nfs/dbraw/zinc/06/90/64/839069064.db2.gz KZFXQJTVEDGQFP-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CSC1(C)C ZINC001324882482 839730614 /nfs/dbraw/zinc/73/06/14/839730614.db2.gz JQUNRCUCNQDSFL-GFCCVEGCSA-N 1 3 330.498 -0.052 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CCO)C1 ZINC001325201752 839817113 /nfs/dbraw/zinc/81/71/13/839817113.db2.gz QMHUHSWGOAYYNU-HNNXBMFYSA-N 1 3 342.484 -0.441 20 0 EBADHO C[C@H]([NH2+]CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001325449692 839867588 /nfs/dbraw/zinc/86/75/88/839867588.db2.gz MCDYTVCMXGUMJQ-STQMWFEESA-N 1 3 347.419 -0.072 20 0 EBADHO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)CN1CCN(C)CC1 ZINC001326340420 840088490 /nfs/dbraw/zinc/08/84/90/840088490.db2.gz JTKIMUDSTVHMRD-CQSZACIVSA-N 1 3 337.472 -0.370 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001326546394 840131958 /nfs/dbraw/zinc/13/19/58/840131958.db2.gz FFDIDEOHLPWPTG-ZIAGYGMSSA-N 1 3 327.473 -0.628 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)CN1CCN(C)CC1 ZINC001326600819 840147143 /nfs/dbraw/zinc/14/71/43/840147143.db2.gz DUPPSAAIFYOFAP-AWEZNQCLSA-N 1 3 339.484 -0.769 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC001327669896 840490199 /nfs/dbraw/zinc/49/01/99/840490199.db2.gz AIBDQFYAHOZPNI-PBHICJAKSA-N 1 3 340.468 -0.567 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=S)NC1CC[NH+](C)CC1 ZINC001327890545 840541927 /nfs/dbraw/zinc/54/19/27/840541927.db2.gz XHNDFMOMQVSIPC-UHFFFAOYSA-N 1 3 329.514 -0.093 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC(O)(CNCCF)CC2)cn1 ZINC001328206067 840619662 /nfs/dbraw/zinc/61/96/62/840619662.db2.gz SAMRUXZWASNBEC-UHFFFAOYSA-N 1 3 341.431 -0.029 20 0 EBADHO C[C@@H](CCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001330834414 841279238 /nfs/dbraw/zinc/27/92/38/841279238.db2.gz CEKFCQBEVBCYCV-RYUDHWBXSA-N 1 3 341.456 -0.071 20 0 EBADHO CO[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001331056141 841324463 /nfs/dbraw/zinc/32/44/63/841324463.db2.gz ISVHGJPCBYAZPC-CQSZACIVSA-N 1 3 328.457 -0.424 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC001331169528 841362793 /nfs/dbraw/zinc/36/27/93/841362793.db2.gz WITIRNMRJLEBHJ-KBPBESRZSA-N 1 3 339.484 -0.485 20 0 EBADHO OCC1(CO)CCN(C/C=C/C[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001331833307 841514420 /nfs/dbraw/zinc/51/44/20/841514420.db2.gz SOHCLDBPIUWMFB-OWOJBTEDSA-N 1 3 342.480 -0.324 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332608943 841687377 /nfs/dbraw/zinc/68/73/77/841687377.db2.gz ZIKFBTUTHGXEFZ-GJZGRUSLSA-N 1 3 338.456 -0.439 20 0 EBADHO COCC[NH2+]CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001333216416 841822948 /nfs/dbraw/zinc/82/29/48/841822948.db2.gz VCVPFXMVZNHHFD-UHFFFAOYSA-N 1 3 326.441 -0.445 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001333961416 841976546 /nfs/dbraw/zinc/97/65/46/841976546.db2.gz VSXIBKDHOTUPEG-CQSZACIVSA-N 1 3 325.457 -0.920 20 0 EBADHO COC[C@]1(C(=O)NCCCC[NH+]2CCN(C)CC2)CNCCO1 ZINC001336721663 842537593 /nfs/dbraw/zinc/53/75/93/842537593.db2.gz NUYCOTRPQACHDM-INIZCTEOSA-N 1 3 328.457 -0.865 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001337338175 842603607 /nfs/dbraw/zinc/60/36/07/842603607.db2.gz JMEUHENSOMMFNJ-HDJSIYSDSA-N 1 3 340.468 -0.153 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340206393 842981350 /nfs/dbraw/zinc/98/13/50/842981350.db2.gz RWNVUTPNDOSJLG-WMLDXEAASA-N 1 3 340.468 -0.450 20 0 EBADHO [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1=O ZINC001341924779 843125827 /nfs/dbraw/zinc/12/58/27/843125827.db2.gz ZJIXDYKGCVSPNO-RRFJBIMHSA-N 1 3 338.452 -0.759 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001345197054 843374039 /nfs/dbraw/zinc/37/40/39/843374039.db2.gz GKHUTUDQERUYAI-MELADBBJSA-N 1 3 338.452 -0.088 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001345197054 843374047 /nfs/dbraw/zinc/37/40/47/843374047.db2.gz GKHUTUDQERUYAI-MELADBBJSA-N 1 3 338.452 -0.088 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCCN(C)S(C)(=O)=O ZINC001691317504 1125850593 /nfs/dbraw/zinc/85/05/93/1125850593.db2.gz XEWJORIMJSEXLL-CQSZACIVSA-N 1 3 348.513 -0.201 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCCN(C)S(C)(=O)=O ZINC001691317504 1125850594 /nfs/dbraw/zinc/85/05/94/1125850594.db2.gz XEWJORIMJSEXLL-CQSZACIVSA-N 1 3 348.513 -0.201 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001691364966 1125854132 /nfs/dbraw/zinc/85/41/32/1125854132.db2.gz LJCBJVBSGXEMFG-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1CCCN1C(=O)CNC1=O ZINC001481055360 1125914620 /nfs/dbraw/zinc/91/46/20/1125914620.db2.gz DNTKPYZLDSXTLT-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO COCCOC[C@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001481705213 1126043020 /nfs/dbraw/zinc/04/30/20/1126043020.db2.gz JGQOVIIBJPAWIG-HZPDHXFCSA-N 1 3 343.468 -0.457 20 0 EBADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001481820831 1126059180 /nfs/dbraw/zinc/05/91/80/1126059180.db2.gz JWWPZYLCKIURRG-VXGBXAGGSA-N 1 3 327.429 -0.460 20 0 EBADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001481820831 1126059182 /nfs/dbraw/zinc/05/91/82/1126059182.db2.gz JWWPZYLCKIURRG-VXGBXAGGSA-N 1 3 327.429 -0.460 20 0 EBADHO C[C@@H](NC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001482317048 1126129888 /nfs/dbraw/zinc/12/98/88/1126129888.db2.gz NHKGCTNBPFJBCI-NWDGAFQWSA-N 1 3 341.456 -0.119 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001482532792 1126191823 /nfs/dbraw/zinc/19/18/23/1126191823.db2.gz IJHVNIDQIPPXHE-LBPRGKRZSA-N 1 3 341.456 -0.343 20 0 EBADHO COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728161 1126268143 /nfs/dbraw/zinc/26/81/43/1126268143.db2.gz FKTDTYPJFDMTNL-JKSUJKDBSA-N 1 3 348.447 -0.001 20 0 EBADHO CC(C)(C(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)N1CCCCC1 ZINC001482727862 1126268228 /nfs/dbraw/zinc/26/82/28/1126268228.db2.gz CZRRTYHVPLFQCU-KGLIPLIRSA-N 1 3 340.468 -0.404 20 0 EBADHO CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482746314 1126276322 /nfs/dbraw/zinc/27/63/22/1126276322.db2.gz CXFAHILQYKEVMQ-CQSZACIVSA-N 1 3 340.468 -0.450 20 0 EBADHO CC(C)(C(=O)NC[C@H](O)CNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001482755072 1126278111 /nfs/dbraw/zinc/27/81/11/1126278111.db2.gz BLLJPWGXBUKXJD-CYBMUJFWSA-N 1 3 326.441 -0.794 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001482761444 1126280021 /nfs/dbraw/zinc/28/00/21/1126280021.db2.gz IOSKKPVSPYMKFP-KCQAQPDRSA-N 1 3 340.468 -0.596 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001482761444 1126280023 /nfs/dbraw/zinc/28/00/23/1126280023.db2.gz IOSKKPVSPYMKFP-KCQAQPDRSA-N 1 3 340.468 -0.596 20 0 EBADHO C[C@H]1CCCCN1C(=O)CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764404 1126281531 /nfs/dbraw/zinc/28/15/31/1126281531.db2.gz PVXGSDKBBAWHJL-UONOGXRCSA-N 1 3 328.457 -0.594 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)CC(C)(C)C ZINC001482769108 1126283222 /nfs/dbraw/zinc/28/32/22/1126283222.db2.gz GMFXENNSRUDSTR-CYBMUJFWSA-N 1 3 328.457 -0.737 20 0 EBADHO C[C@@H](NC[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784806 1126290020 /nfs/dbraw/zinc/29/00/20/1126290020.db2.gz MRYWSWLNGCFQKK-RISCZKNCSA-N 1 3 326.441 -0.951 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001482888382 1126300707 /nfs/dbraw/zinc/30/07/07/1126300707.db2.gz KCYCDSXCFSUWKI-WCQYABFASA-N 1 3 329.445 -0.487 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023276 1126314415 /nfs/dbraw/zinc/31/44/15/1126314415.db2.gz XBGLHGJKZLDIOH-HORCIZIBSA-N 1 3 339.440 -0.294 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001483023276 1126314417 /nfs/dbraw/zinc/31/44/17/1126314417.db2.gz XBGLHGJKZLDIOH-HORCIZIBSA-N 1 3 339.440 -0.294 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691555820 1126321359 /nfs/dbraw/zinc/32/13/59/1126321359.db2.gz KUSIRZNBCGRSQG-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049938 1126322868 /nfs/dbraw/zinc/32/28/68/1126322868.db2.gz CHYMYSYAVPFKMW-UCLKDPGMSA-N 1 3 336.436 -0.216 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483049938 1126322869 /nfs/dbraw/zinc/32/28/69/1126322869.db2.gz CHYMYSYAVPFKMW-UCLKDPGMSA-N 1 3 336.436 -0.216 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001483098733 1126332749 /nfs/dbraw/zinc/33/27/49/1126332749.db2.gz SSZVKOPXEROCMP-PYLYLYNFSA-N 1 3 336.436 -0.070 20 0 EBADHO C[C@H](NCc1cnnn1C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001409382751 1126361451 /nfs/dbraw/zinc/36/14/51/1126361451.db2.gz IPESKHMJTLXLSS-STQMWFEESA-N 1 3 348.455 -0.130 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483298973 1126415118 /nfs/dbraw/zinc/41/51/18/1126415118.db2.gz RVDYNAYHGUJMBF-GXTWGEPZSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596937 1126438875 /nfs/dbraw/zinc/43/88/75/1126438875.db2.gz RNJOESMIPROWCR-WFASDCNBSA-N 1 3 340.468 -0.284 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596936 1126438961 /nfs/dbraw/zinc/43/89/61/1126438961.db2.gz RNJOESMIPROWCR-SWLSCSKDSA-N 1 3 340.468 -0.284 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001493546516 1126467030 /nfs/dbraw/zinc/46/70/30/1126467030.db2.gz OZSGGFXXOXKIBU-RYUDHWBXSA-N 1 3 327.429 -0.509 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001493546516 1126467032 /nfs/dbraw/zinc/46/70/32/1126467032.db2.gz OZSGGFXXOXKIBU-RYUDHWBXSA-N 1 3 327.429 -0.509 20 0 EBADHO C[C@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113518 1126506763 /nfs/dbraw/zinc/50/67/63/1126506763.db2.gz HDZYKQBDMCXDRT-CQSZACIVSA-N 1 3 343.453 -0.670 20 0 EBADHO CNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484242696 1126538439 /nfs/dbraw/zinc/53/84/39/1126538439.db2.gz KZLTXTAZWHHZBC-RHSMWYFYSA-N 1 3 340.468 -0.594 20 0 EBADHO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001484681540 1126616480 /nfs/dbraw/zinc/61/64/80/1126616480.db2.gz XBYDDDDFIAUKCI-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686657 1126621718 /nfs/dbraw/zinc/62/17/18/1126621718.db2.gz AFDHVLUGTAYSEO-TZMCWYRMSA-N 1 3 326.441 -0.578 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CN[C@H]3CCCNC3=O)C2)CC1 ZINC001484686130 1126621752 /nfs/dbraw/zinc/62/17/52/1126621752.db2.gz PENBUHPDGCWQLR-KBPBESRZSA-N 1 3 338.452 -0.576 20 0 EBADHO CC[C@@H](C(=O)NC1(C[NH2+]CCn2cncn2)CCOCC1)N(C)C ZINC001484871082 1126647691 /nfs/dbraw/zinc/64/76/91/1126647691.db2.gz RRONJSRJAJLCJM-AWEZNQCLSA-N 1 3 338.456 -0.127 20 0 EBADHO Cn1nncc1CNCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484871880 1126647910 /nfs/dbraw/zinc/64/79/10/1126647910.db2.gz KDFMUQKZHDVEMU-CYBMUJFWSA-N 1 3 336.440 -0.478 20 0 EBADHO Cn1nncc1CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001484871880 1126647911 /nfs/dbraw/zinc/64/79/11/1126647911.db2.gz KDFMUQKZHDVEMU-CYBMUJFWSA-N 1 3 336.440 -0.478 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485908188 1126912772 /nfs/dbraw/zinc/91/27/72/1126912772.db2.gz MSYAHSAIDLSLEZ-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485961097 1126940670 /nfs/dbraw/zinc/94/06/70/1126940670.db2.gz QKJXBEUGTQBEME-GFCCVEGCSA-N 1 3 341.456 -0.249 20 0 EBADHO Cn1nnc2cc(CN[C@@H](CO)CNC(=O)CC[NH+](C)C)ccc21 ZINC001486030168 1127001275 /nfs/dbraw/zinc/00/12/75/1127001275.db2.gz HJRBRGYFFRATKH-CYBMUJFWSA-N 1 3 334.424 -0.513 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CNCCS(C)(=O)=O)CC[N@@H+]1C ZINC001486294341 1127103008 /nfs/dbraw/zinc/10/30/08/1127103008.db2.gz GUBKAQKJDXVZMC-MELADBBJSA-N 1 3 349.497 -0.830 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CNCCS(C)(=O)=O)CC[N@H+]1C ZINC001486294341 1127103010 /nfs/dbraw/zinc/10/30/10/1127103010.db2.gz GUBKAQKJDXVZMC-MELADBBJSA-N 1 3 349.497 -0.830 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001486458165 1127179741 /nfs/dbraw/zinc/17/97/41/1127179741.db2.gz SUJZXBNGKGRVJJ-JXQTWKCFSA-N 1 3 346.497 -0.401 20 0 EBADHO O=C(CC[NH2+]CCO)NC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001486485565 1127185641 /nfs/dbraw/zinc/18/56/41/1127185641.db2.gz MCQSMDVICVEUQX-AWEZNQCLSA-N 1 3 337.424 -0.579 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001487050938 1127397952 /nfs/dbraw/zinc/39/79/52/1127397952.db2.gz SWBMOMXWDHHJRK-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001410106482 1127568846 /nfs/dbraw/zinc/56/88/46/1127568846.db2.gz FAXGHCJAMOUWHI-CABCVRRESA-N 1 3 342.484 -0.204 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001410218938 1127645875 /nfs/dbraw/zinc/64/58/75/1127645875.db2.gz HSBIWVKFHRRYOF-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482840 1127726289 /nfs/dbraw/zinc/72/62/89/1127726289.db2.gz RWPCRIHMXGQPBH-CHWSQXEVSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCc1cnn(C)c1 ZINC001410622508 1127778466 /nfs/dbraw/zinc/77/84/66/1127778466.db2.gz MMNZMUUBVFBWHX-CVEARBPZSA-N 1 3 337.468 -0.098 20 0 EBADHO C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001410865051 1127922040 /nfs/dbraw/zinc/92/20/40/1127922040.db2.gz USIJSIDPDVCUEW-QWHCGFSZSA-N 1 3 339.440 -0.508 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128455 1128023271 /nfs/dbraw/zinc/02/32/71/1128023271.db2.gz PSLANUZMKOIMOV-ZIAGYGMSSA-N 1 3 328.457 -0.642 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001411237641 1128101378 /nfs/dbraw/zinc/10/13/78/1128101378.db2.gz PEGVBORKAGMFTE-WXRRBKDZSA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133220 1128296003 /nfs/dbraw/zinc/29/60/03/1128296003.db2.gz WOPUVYXTOKHARU-HUUCEWRRSA-N 1 3 334.464 -0.001 20 0 EBADHO CN(C(=O)[C@H]1CCCN1C)C1CC(NC(=O)COCC[NH+](C)C)C1 ZINC001488588663 1128799891 /nfs/dbraw/zinc/79/98/91/1128799891.db2.gz RGSVCPSKKKGUAZ-YMAMQOFZSA-N 1 3 340.468 -0.236 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001489077896 1128906452 /nfs/dbraw/zinc/90/64/52/1128906452.db2.gz JVOFYELRQXWQHO-GFCCVEGCSA-N 1 3 337.424 -0.388 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001489077896 1128906454 /nfs/dbraw/zinc/90/64/54/1128906454.db2.gz JVOFYELRQXWQHO-GFCCVEGCSA-N 1 3 337.424 -0.388 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](CCO)CCCO)C2)C1 ZINC001489171609 1128916308 /nfs/dbraw/zinc/91/63/08/1128916308.db2.gz ZMRGKFCLRDQHRI-HZPDHXFCSA-N 1 3 327.469 -0.004 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](CCO)CCCO)C2)C1 ZINC001489171609 1128916309 /nfs/dbraw/zinc/91/63/09/1128916309.db2.gz ZMRGKFCLRDQHRI-HZPDHXFCSA-N 1 3 327.469 -0.004 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001413299493 1129998077 /nfs/dbraw/zinc/99/80/77/1129998077.db2.gz SUCDBTSOSJGWSL-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001491080797 1130315483 /nfs/dbraw/zinc/31/54/83/1130315483.db2.gz RPMYJVSEQVHJGS-OKILXGFUSA-N 1 3 346.497 -0.401 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001216499188 1130522892 /nfs/dbraw/zinc/52/28/92/1130522892.db2.gz GWSZJEWPVSCOJX-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557654 1130528614 /nfs/dbraw/zinc/52/86/14/1130528614.db2.gz HCIRTCYNVUKYGT-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557654 1130528620 /nfs/dbraw/zinc/52/86/20/1130528620.db2.gz HCIRTCYNVUKYGT-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO CN(CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)CC(C)(C)C ZINC001414063596 1130687849 /nfs/dbraw/zinc/68/78/49/1130687849.db2.gz COXNGVXENGNCOH-KGLIPLIRSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001493258222 1130811688 /nfs/dbraw/zinc/81/16/88/1130811688.db2.gz YFSFYDJHTFSQPM-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001493258222 1130811692 /nfs/dbraw/zinc/81/16/92/1130811692.db2.gz YFSFYDJHTFSQPM-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530627 1130826475 /nfs/dbraw/zinc/82/64/75/1130826475.db2.gz LAOMROPFGZDVMA-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO O=C(NCCCCCN1CC[NH2+]CC1)NCCN1CC[C@H](O)C1 ZINC001357592030 1131104916 /nfs/dbraw/zinc/10/49/16/1131104916.db2.gz VWJIBSGEKOXMMW-HNNXBMFYSA-N 1 3 327.473 -0.572 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001365850609 1132832533 /nfs/dbraw/zinc/83/25/33/1132832533.db2.gz YBYRERJUINTAKY-YRGRVCCFSA-N 1 3 341.456 -0.487 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366092816 1132999879 /nfs/dbraw/zinc/99/98/79/1132999879.db2.gz OOHCTIYYEFHMBD-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366207427 1133056618 /nfs/dbraw/zinc/05/66/18/1133056618.db2.gz OUCYWBKPCDTMSO-NWDGAFQWSA-N 1 3 327.429 -0.650 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O ZINC001366223323 1133063170 /nfs/dbraw/zinc/06/31/70/1133063170.db2.gz XOBJQOAIVQDTOT-CYBMUJFWSA-N 1 3 341.456 -0.116 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O ZINC001366223323 1133063176 /nfs/dbraw/zinc/06/31/76/1133063176.db2.gz XOBJQOAIVQDTOT-CYBMUJFWSA-N 1 3 341.456 -0.116 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366389402 1133125856 /nfs/dbraw/zinc/12/58/56/1133125856.db2.gz FDCUZQYDPCSHDX-ZDUSSCGKSA-N 1 3 339.440 -0.492 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001366769666 1133290265 /nfs/dbraw/zinc/29/02/65/1133290265.db2.gz LORVRNZJMZLNHA-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001366769666 1133290269 /nfs/dbraw/zinc/29/02/69/1133290269.db2.gz LORVRNZJMZLNHA-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830754 1133308688 /nfs/dbraw/zinc/30/86/88/1133308688.db2.gz AFLMJLGIVMRYJT-QWHCGFSZSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001367094442 1133473910 /nfs/dbraw/zinc/47/39/10/1133473910.db2.gz CUHXPQIDUYGYIK-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133745 1133484617 /nfs/dbraw/zinc/48/46/17/1133484617.db2.gz FSFVQAOPCGQCCH-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133745 1133484620 /nfs/dbraw/zinc/48/46/20/1133484620.db2.gz FSFVQAOPCGQCCH-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001367220697 1133504507 /nfs/dbraw/zinc/50/45/07/1133504507.db2.gz LDBAHPFJSWGJOO-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367401881 1133579395 /nfs/dbraw/zinc/57/93/95/1133579395.db2.gz YVKNXYKSIYQXHX-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367401881 1133579385 /nfs/dbraw/zinc/57/93/85/1133579385.db2.gz YVKNXYKSIYQXHX-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)CC1 ZINC001367604499 1133683042 /nfs/dbraw/zinc/68/30/42/1133683042.db2.gz RORBKEBVBMBCJO-OAHLLOKOSA-N 1 3 340.468 -0.593 20 0 EBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C(=O)[C@H]1CCCN1C ZINC001367662833 1133735775 /nfs/dbraw/zinc/73/57/75/1133735775.db2.gz TUGBHKDVAFRQSA-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001367703906 1133752854 /nfs/dbraw/zinc/75/28/54/1133752854.db2.gz NDCPLDVYWNQTJK-GFCCVEGCSA-N 1 3 326.441 -0.530 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001367738578 1133767017 /nfs/dbraw/zinc/76/70/17/1133767017.db2.gz SMNFOOCZARDVCQ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001367738578 1133767024 /nfs/dbraw/zinc/76/70/24/1133767024.db2.gz SMNFOOCZARDVCQ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367748758 1133770183 /nfs/dbraw/zinc/77/01/83/1133770183.db2.gz KQKVGYTYXLPPOK-NWDGAFQWSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@H]1CN(C(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913505 1133837985 /nfs/dbraw/zinc/83/79/85/1133837985.db2.gz RECGZADMMLPSOD-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368108425 1133941229 /nfs/dbraw/zinc/94/12/29/1133941229.db2.gz IZYJXVQODHHBRH-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC1(NCC(=O)N(C)C)CCOCC1 ZINC001368235366 1134002912 /nfs/dbraw/zinc/00/29/12/1134002912.db2.gz CLVPLPGPVBLYBV-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(=O)N(C)C)CCOCC1 ZINC001368235366 1134002917 /nfs/dbraw/zinc/00/29/17/1134002917.db2.gz CLVPLPGPVBLYBV-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO CNC(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001368242983 1134013999 /nfs/dbraw/zinc/01/39/99/1134013999.db2.gz YOVSFWIKXHZLIT-UHFFFAOYSA-N 1 3 340.468 -0.137 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368478541 1134247244 /nfs/dbraw/zinc/24/72/44/1134247244.db2.gz XLLZZQRNJSNSGP-GFCCVEGCSA-N 1 3 339.440 -0.316 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368478541 1134247248 /nfs/dbraw/zinc/24/72/48/1134247248.db2.gz XLLZZQRNJSNSGP-GFCCVEGCSA-N 1 3 339.440 -0.316 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001368507278 1134260471 /nfs/dbraw/zinc/26/04/71/1134260471.db2.gz PNQGJYMNXVJOQJ-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509628 1134261771 /nfs/dbraw/zinc/26/17/71/1134261771.db2.gz LLZHWZZKHDNEGB-HOCLYGCPSA-N 1 3 342.484 -0.084 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001368572780 1134297398 /nfs/dbraw/zinc/29/73/98/1134297398.db2.gz FUYRWVBVTSZPJC-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001368572780 1134297404 /nfs/dbraw/zinc/29/74/04/1134297404.db2.gz FUYRWVBVTSZPJC-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001368632653 1134345541 /nfs/dbraw/zinc/34/55/41/1134345541.db2.gz GHMVHSAIEFRLOS-KBPBESRZSA-N 1 3 340.468 -0.140 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368643242 1134351758 /nfs/dbraw/zinc/35/17/58/1134351758.db2.gz FSGLZPQDOMQRTB-NWDGAFQWSA-N 1 3 327.429 -0.602 20 0 EBADHO Cc1nc(CNCC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n[nH]1 ZINC001368681067 1134378584 /nfs/dbraw/zinc/37/85/84/1134378584.db2.gz BERREUBLHIJKPU-CYBMUJFWSA-N 1 3 336.440 -0.492 20 0 EBADHO Cc1nc(CNCC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n[nH]1 ZINC001368681067 1134378591 /nfs/dbraw/zinc/37/85/91/1134378591.db2.gz BERREUBLHIJKPU-CYBMUJFWSA-N 1 3 336.440 -0.492 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001368783766 1134439671 /nfs/dbraw/zinc/43/96/71/1134439671.db2.gz YPZPMEUBYJAOHI-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO COC[C@H](O)CN1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092967 1134560770 /nfs/dbraw/zinc/56/07/70/1134560770.db2.gz BHVHATNXJUWYQO-DZGCQCFKSA-N 1 3 343.468 -0.459 20 0 EBADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001369229659 1134623689 /nfs/dbraw/zinc/62/36/89/1134623689.db2.gz PEZYWRRULQNRBI-NEPJUHHUSA-N 1 3 327.429 -0.652 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369302648 1134646176 /nfs/dbraw/zinc/64/61/76/1134646176.db2.gz JGHZCYNOMOMQRM-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369302648 1134646180 /nfs/dbraw/zinc/64/61/80/1134646180.db2.gz JGHZCYNOMOMQRM-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369376144 1134733453 /nfs/dbraw/zinc/73/34/53/1134733453.db2.gz RGGXXPPDXQWKQW-UONOGXRCSA-N 1 3 328.457 -0.690 20 0 EBADHO C[C@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410544 1134767364 /nfs/dbraw/zinc/76/73/64/1134767364.db2.gz WDLTXDJUWNVWDD-CMPLNLGQSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410569 1134767928 /nfs/dbraw/zinc/76/79/28/1134767928.db2.gz WDLTXDJUWNVWDD-ZYHUDNBSSA-N 1 3 325.413 -0.898 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472759 1134828870 /nfs/dbraw/zinc/82/88/70/1134828870.db2.gz LDGJKHHMOLPKJH-QWHCGFSZSA-N 1 3 326.441 -0.842 20 0 EBADHO Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001369484403 1134852815 /nfs/dbraw/zinc/85/28/15/1134852815.db2.gz QBWJMMWXKGZGFY-BBRMVZONSA-N 1 3 337.468 -0.021 20 0 EBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852502 1135048940 /nfs/dbraw/zinc/04/89/40/1135048940.db2.gz JBYAJIXVNMHJQI-GJZGRUSLSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852515 1135049227 /nfs/dbraw/zinc/04/92/27/1135049227.db2.gz JBYAJIXVNMHJQI-LSDHHAIUSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167619 1135233256 /nfs/dbraw/zinc/23/32/56/1135233256.db2.gz MHNOPWLODDUYNI-CMPLNLGQSA-N 1 3 339.440 -0.462 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370366396 1135320262 /nfs/dbraw/zinc/32/02/62/1135320262.db2.gz YFUKDPNOJOZAAK-AGIUHOORSA-N 1 3 341.456 -0.393 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001370933697 1135699359 /nfs/dbraw/zinc/69/93/59/1135699359.db2.gz UVSCNUDKDGESJV-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCOCC1 ZINC001371180999 1135857489 /nfs/dbraw/zinc/85/74/89/1135857489.db2.gz VGXFBBMZBMRYEP-HIFRSBDPSA-N 1 3 338.452 -0.719 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001371198761 1135862829 /nfs/dbraw/zinc/86/28/29/1135862829.db2.gz BCUQRJCQGRSMOQ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001371198761 1135862831 /nfs/dbraw/zinc/86/28/31/1135862831.db2.gz BCUQRJCQGRSMOQ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371215047 1135866240 /nfs/dbraw/zinc/86/62/40/1135866240.db2.gz WLKHSESHQWRVGI-AAEUAGOBSA-N 1 3 329.445 -0.487 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001371463718 1135924324 /nfs/dbraw/zinc/92/43/24/1135924324.db2.gz ZWPFSQCSPUDQNG-QLFBSQMISA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001371463718 1135924325 /nfs/dbraw/zinc/92/43/25/1135924325.db2.gz ZWPFSQCSPUDQNG-QLFBSQMISA-N 1 3 342.484 -0.254 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001371472308 1135929726 /nfs/dbraw/zinc/92/97/26/1135929726.db2.gz HLTUABHUXGQIRN-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001371512813 1135942359 /nfs/dbraw/zinc/94/23/59/1135942359.db2.gz NSQBCGCPKJPFBO-RWMBFGLXSA-N 1 3 339.440 -0.637 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001371512813 1135942361 /nfs/dbraw/zinc/94/23/61/1135942361.db2.gz NSQBCGCPKJPFBO-RWMBFGLXSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001372926649 1136328492 /nfs/dbraw/zinc/32/84/92/1136328492.db2.gz SMJPFVNQVMLUSY-AAEUAGOBSA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372947737 1136334987 /nfs/dbraw/zinc/33/49/87/1136334987.db2.gz IFFRATIYVLZFJT-NSHDSACASA-N 1 3 327.429 -0.508 20 0 EBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374606287 1136742243 /nfs/dbraw/zinc/74/22/43/1136742243.db2.gz SAGYGRTXKYTFSX-MGPQQGTHSA-N 1 3 338.456 -0.487 20 0 EBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374606287 1136742246 /nfs/dbraw/zinc/74/22/46/1136742246.db2.gz SAGYGRTXKYTFSX-MGPQQGTHSA-N 1 3 338.456 -0.487 20 0 EBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374671944 1136790701 /nfs/dbraw/zinc/79/07/01/1136790701.db2.gz REOYNGHIFPDMRH-KGLIPLIRSA-N 1 3 338.456 -0.485 20 0 EBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374671944 1136790704 /nfs/dbraw/zinc/79/07/04/1136790704.db2.gz REOYNGHIFPDMRH-KGLIPLIRSA-N 1 3 338.456 -0.485 20 0 EBADHO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CN2CCOCC2)on1 ZINC001374683763 1136799992 /nfs/dbraw/zinc/79/99/92/1136799992.db2.gz KAOSKMHFAFSGJG-JSGCOSHPSA-N 1 3 340.424 -0.482 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)CNCc1nccs1 ZINC001374685982 1136801397 /nfs/dbraw/zinc/80/13/97/1136801397.db2.gz RQWJNHYHFILGCN-CHWSQXEVSA-N 1 3 342.465 -0.322 20 0 EBADHO CCN(CCN[C@@H](C)C(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374706454 1136809069 /nfs/dbraw/zinc/80/90/69/1136809069.db2.gz WLSSGUGLPCNZRM-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CCN(CCN[C@@H](C)C(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001374706454 1136809073 /nfs/dbraw/zinc/80/90/73/1136809073.db2.gz WLSSGUGLPCNZRM-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780853 1136831030 /nfs/dbraw/zinc/83/10/30/1136831030.db2.gz SCJWUPSUHCSNTC-VXGBXAGGSA-N 1 3 339.440 -0.447 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001374830739 1136844851 /nfs/dbraw/zinc/84/48/51/1136844851.db2.gz ZKOGBCAVQLYVQA-OLZOCXBDSA-N 1 3 340.468 -0.141 20 0 EBADHO C[C@@H](CNCC(=O)N1CCOC[C@@H]1C1CC1)NC(=O)CC[NH+](C)C ZINC001374931117 1136878530 /nfs/dbraw/zinc/87/85/30/1136878530.db2.gz ORDZJBNDJSJTKO-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001374931715 1136878801 /nfs/dbraw/zinc/87/88/01/1136878801.db2.gz RJBHXXPPYZGANP-QWRGUYRKSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)CC1 ZINC001374954122 1136882763 /nfs/dbraw/zinc/88/27/63/1136882763.db2.gz YQYQDGAYHGHVRR-NSHDSACASA-N 1 3 327.429 -0.604 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643545230 375892766 /nfs/dbraw/zinc/89/27/66/375892766.db2.gz PQWKKBQNMMKVIH-LJISPDSOSA-N 1 3 338.452 -0.354 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCO1 ZINC000643552802 375897413 /nfs/dbraw/zinc/89/74/13/375897413.db2.gz KDWQROLSYYAVSX-OLZOCXBDSA-N 1 3 326.441 -0.496 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCSC1 ZINC000642768754 376087634 /nfs/dbraw/zinc/08/76/34/376087634.db2.gz ANTJVSUJEXKECW-XEZPLFJOSA-N 1 3 340.493 -0.250 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000642768871 376088548 /nfs/dbraw/zinc/08/85/48/376088548.db2.gz MXEMNAXYHRFHSX-VLXAULBPSA-N 1 3 340.493 -0.264 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CCO1 ZINC000642732160 376055558 /nfs/dbraw/zinc/05/55/58/376055558.db2.gz JQDFAJOWAOIKKC-UONOGXRCSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CCO1 ZINC000642732128 376056610 /nfs/dbraw/zinc/05/66/10/376056610.db2.gz APHCACBUMWAHFH-MCIONIFRSA-N 1 3 326.441 -0.591 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](CN)C1 ZINC000584043463 376061037 /nfs/dbraw/zinc/06/10/37/376061037.db2.gz XFBOTRPACNDGRU-HZSPNIEDSA-N 1 3 325.457 -0.923 20 0 EBADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000557246461 376168025 /nfs/dbraw/zinc/16/80/25/376168025.db2.gz KAOXBJLIGSYDQL-AWEZNQCLSA-N 1 3 325.457 -0.922 20 0 EBADHO CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000408033299 376291124 /nfs/dbraw/zinc/29/11/24/376291124.db2.gz KEUDRXKXIZFUQV-LSDHHAIUSA-N 1 3 332.514 -0.117 20 0 EBADHO CNS(=O)(=O)CCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000408033299 376291133 /nfs/dbraw/zinc/29/11/33/376291133.db2.gz KEUDRXKXIZFUQV-LSDHHAIUSA-N 1 3 332.514 -0.117 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCO1 ZINC000560315164 376676110 /nfs/dbraw/zinc/67/61/10/376676110.db2.gz PGAANVQUXHTNTI-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CCOCC1 ZINC000560637488 376754647 /nfs/dbraw/zinc/75/46/47/376754647.db2.gz NXHNDEHGWVODAT-UHFFFAOYSA-N 1 3 342.484 -0.177 20 0 EBADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642929572 376790704 /nfs/dbraw/zinc/79/07/04/376790704.db2.gz DFSSBWBQHXTYOY-CQSZACIVSA-N 1 3 331.420 -0.012 20 0 EBADHO C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562949559 377055024 /nfs/dbraw/zinc/05/50/24/377055024.db2.gz NOEGJJSRGTWSHN-GJZGRUSLSA-N 1 3 342.484 -0.585 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC000635608563 377073563 /nfs/dbraw/zinc/07/35/63/377073563.db2.gz XLYVCOGUXBQBQK-UHFFFAOYSA-N 1 3 336.440 -0.159 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000635607943 377073762 /nfs/dbraw/zinc/07/37/62/377073762.db2.gz TXIURDNMYIQCHU-ZDUSSCGKSA-N 1 3 336.440 -0.159 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000635607943 377073770 /nfs/dbraw/zinc/07/37/70/377073770.db2.gz TXIURDNMYIQCHU-ZDUSSCGKSA-N 1 3 336.440 -0.159 20 0 EBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642986985 377441145 /nfs/dbraw/zinc/44/11/45/377441145.db2.gz ZHBNHEOMZLMDLX-ZFWWWQNUSA-N 1 3 331.420 -0.156 20 0 EBADHO N[C@H]1C[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342254 377529081 /nfs/dbraw/zinc/52/90/81/377529081.db2.gz ANGRMXCKEQKCMP-OLZOCXBDSA-N 1 3 330.454 -0.954 20 0 EBADHO CC(C)N1CCN([C@H]2CC[N@H+](CCC(=O)N3CCNCC3)C2)CC1 ZINC000592984047 377867075 /nfs/dbraw/zinc/86/70/75/377867075.db2.gz DYXVXKSHEFGKOM-KRWDZBQOSA-N 1 3 337.512 -0.091 20 0 EBADHO CC(C)N1CCN([C@H]2CC[N@@H+](CCC(=O)N3CCNCC3)C2)CC1 ZINC000592984047 377867081 /nfs/dbraw/zinc/86/70/81/377867081.db2.gz DYXVXKSHEFGKOM-KRWDZBQOSA-N 1 3 337.512 -0.091 20 0 EBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CC[C@H](O)C3)C2)CC1 ZINC000636792005 378397584 /nfs/dbraw/zinc/39/75/84/378397584.db2.gz NSPOZJAOHVASPV-ZBFHGGJFSA-N 1 3 339.484 -0.479 20 0 EBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CC[C@H](O)C3)C2)CC1 ZINC000636792005 378397586 /nfs/dbraw/zinc/39/75/86/378397586.db2.gz NSPOZJAOHVASPV-ZBFHGGJFSA-N 1 3 339.484 -0.479 20 0 EBADHO COC(=O)c1ccn(CC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000602898929 378376899 /nfs/dbraw/zinc/37/68/99/378376899.db2.gz NMERRXUURYLDOI-UHFFFAOYSA-N 1 3 325.413 -0.379 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000563147704 378453621 /nfs/dbraw/zinc/45/36/21/378453621.db2.gz VIMWPZUSPFXJBI-OAHLLOKOSA-N 1 3 340.468 -0.424 20 0 EBADHO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643470 378467264 /nfs/dbraw/zinc/46/72/64/378467264.db2.gz MMBPYIVSEZSDQW-CVEARBPZSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643470 378467272 /nfs/dbraw/zinc/46/72/72/378467272.db2.gz MMBPYIVSEZSDQW-CVEARBPZSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643472 378467336 /nfs/dbraw/zinc/46/73/36/378467336.db2.gz MMBPYIVSEZSDQW-HZPDHXFCSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643472 378467342 /nfs/dbraw/zinc/46/73/42/378467342.db2.gz MMBPYIVSEZSDQW-HZPDHXFCSA-N 1 3 339.484 -0.214 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637129022 378499837 /nfs/dbraw/zinc/49/98/37/378499837.db2.gz DOXGZGZLMVLYEI-HUUCEWRRSA-N 1 3 340.468 -0.378 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637129017 378499953 /nfs/dbraw/zinc/49/99/53/378499953.db2.gz DOXGZGZLMVLYEI-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000629795950 379138806 /nfs/dbraw/zinc/13/88/06/379138806.db2.gz NGNPKOSDVAMVCC-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000629793014 379138923 /nfs/dbraw/zinc/13/89/23/379138923.db2.gz BRYDMUHNKHWEAC-AWEZNQCLSA-N 1 3 326.441 -0.493 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000629799135 379142943 /nfs/dbraw/zinc/14/29/43/379142943.db2.gz NHGHPFAEMFMHKH-UHFFFAOYSA-N 1 3 335.408 -0.454 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000629800860 379144020 /nfs/dbraw/zinc/14/40/20/379144020.db2.gz CHHXFPDWVOKRLI-AWEZNQCLSA-N 1 3 328.457 -0.247 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627302721 379233682 /nfs/dbraw/zinc/23/36/82/379233682.db2.gz WPGUSUZIDLPUCZ-OCCSQVGLSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCOCC1 ZINC000607224572 379243658 /nfs/dbraw/zinc/24/36/58/379243658.db2.gz OOQBYSPXKJBURX-UHFFFAOYSA-N 1 3 329.489 -0.157 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000627305772 379279574 /nfs/dbraw/zinc/27/95/74/379279574.db2.gz HBVALWISSRXICR-UHFFFAOYSA-N 1 3 337.424 -0.555 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000627311567 379301459 /nfs/dbraw/zinc/30/14/59/379301459.db2.gz BZCWXUOUMSYANA-RBSFLKMASA-N 1 3 342.484 -0.179 20 0 EBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000269297651 379357478 /nfs/dbraw/zinc/35/74/78/379357478.db2.gz ORSLKOYNAYIXQQ-HOTGVXAUSA-N 1 3 333.436 -0.567 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN[C@@H]1C[C@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801192 379472616 /nfs/dbraw/zinc/47/26/16/379472616.db2.gz AYPLDQRYPBCKMS-WDEREUQCSA-N 1 3 334.424 -0.461 20 0 EBADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624125989 379510689 /nfs/dbraw/zinc/51/06/89/379510689.db2.gz TVJXZNDRWQOULX-INIZCTEOSA-N 1 3 329.408 -0.230 20 0 EBADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624125989 379510693 /nfs/dbraw/zinc/51/06/93/379510693.db2.gz TVJXZNDRWQOULX-INIZCTEOSA-N 1 3 329.408 -0.230 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000627430339 379594565 /nfs/dbraw/zinc/59/45/65/379594565.db2.gz UFPYMCCGSLIGJI-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428851 379594951 /nfs/dbraw/zinc/59/49/51/379594951.db2.gz QASZWLXDENGZFO-VHDGCEQUSA-N 1 3 338.452 -0.387 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627428631 379595074 /nfs/dbraw/zinc/59/50/74/379595074.db2.gz KSJCZEWPQVEGAA-CQSZACIVSA-N 1 3 340.468 -0.153 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627442018 379599207 /nfs/dbraw/zinc/59/92/07/379599207.db2.gz ZJAYEIVKUMYCLJ-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000627464537 379615494 /nfs/dbraw/zinc/61/54/94/379615494.db2.gz FBUADIHPRIXQBV-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000631975904 379796248 /nfs/dbraw/zinc/79/62/48/379796248.db2.gz MKDOOVDUWBEXHK-HNNXBMFYSA-N 1 3 332.514 -0.020 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000631975904 379796254 /nfs/dbraw/zinc/79/62/54/379796254.db2.gz MKDOOVDUWBEXHK-HNNXBMFYSA-N 1 3 332.514 -0.020 20 0 EBADHO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)CCCN(C)C)CC1 ZINC000631952800 379762161 /nfs/dbraw/zinc/76/21/61/379762161.db2.gz TUGRLORXURLFEN-UHFFFAOYSA-N 1 3 348.513 -0.152 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627177208 379822626 /nfs/dbraw/zinc/82/26/26/379822626.db2.gz FHVFFARUROCWIU-UHFFFAOYSA-N 1 3 343.472 -0.582 20 0 EBADHO CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2COCCN2)CC1 ZINC000627190177 379827317 /nfs/dbraw/zinc/82/73/17/379827317.db2.gz XSCHFZOMNHWVHY-CQSZACIVSA-N 1 3 327.473 -0.310 20 0 EBADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)COC1)N(C)C ZINC000633917865 379979603 /nfs/dbraw/zinc/97/96/03/379979603.db2.gz XZOZCSIYWDYQJW-QWHCGFSZSA-N 1 3 328.457 -0.332 20 0 EBADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H](CC)N(C)C)COC1)[NH+](C)C ZINC000633917865 379979609 /nfs/dbraw/zinc/97/96/09/379979609.db2.gz XZOZCSIYWDYQJW-QWHCGFSZSA-N 1 3 328.457 -0.332 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000614855301 379999322 /nfs/dbraw/zinc/99/93/22/379999322.db2.gz XAXVKNSBYUQCGN-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000614855301 379999325 /nfs/dbraw/zinc/99/93/25/379999325.db2.gz XAXVKNSBYUQCGN-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO C(CC[N@@H+]1CCN2CCOC[C@@H]2C1)CN1CCN2CCOC[C@@H]2C1 ZINC000543559625 380063775 /nfs/dbraw/zinc/06/37/75/380063775.db2.gz RHBMIQFCRCWQOS-ROUUACIJSA-N 1 3 338.496 -0.201 20 0 EBADHO C(CC[N@H+]1CCN2CCOC[C@@H]2C1)CN1CCN2CCOC[C@@H]2C1 ZINC000543559625 380063780 /nfs/dbraw/zinc/06/37/80/380063780.db2.gz RHBMIQFCRCWQOS-ROUUACIJSA-N 1 3 338.496 -0.201 20 0 EBADHO COCCN1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354703612 380086040 /nfs/dbraw/zinc/08/60/40/380086040.db2.gz ZTIBVAUDWQWNJT-AWEZNQCLSA-N 1 3 326.441 -0.528 20 0 EBADHO COC(=O)CNC(=O)CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355057988 380136735 /nfs/dbraw/zinc/13/67/35/380136735.db2.gz CMSSMZDDFVTNLF-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO COC(=O)CNC(=O)CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000355057988 380136747 /nfs/dbraw/zinc/13/67/47/380136747.db2.gz CMSSMZDDFVTNLF-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)CCn1c2cc(NC(=O)CN3CC[NH2+]CC3)ccc2oc1=O ZINC000638089573 380115525 /nfs/dbraw/zinc/11/55/25/380115525.db2.gz BMJCBEVELMGYGB-UHFFFAOYSA-N 1 3 347.419 0.000 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638098972 380131108 /nfs/dbraw/zinc/13/11/08/380131108.db2.gz QVLFXSINPYUIMF-WMLDXEAASA-N 1 3 340.468 -0.234 20 0 EBADHO COCCOCCN(C)CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638240287 380305171 /nfs/dbraw/zinc/30/51/71/380305171.db2.gz IKRMRWGIJXCXTI-INIZCTEOSA-N 1 3 342.484 -0.523 20 0 EBADHO CN(C)C(=O)CCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000362565507 380411389 /nfs/dbraw/zinc/41/13/89/380411389.db2.gz BQIZSSIIPYXCTL-ZDUSSCGKSA-N 1 3 348.451 -0.277 20 0 EBADHO CO[C@@H](CN)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000290196900 380462522 /nfs/dbraw/zinc/46/25/22/380462522.db2.gz QWEJLFHWYRRKBI-HOTGVXAUSA-N 1 3 348.447 -0.026 20 0 EBADHO CO[C@@H](CN)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000290196900 380462529 /nfs/dbraw/zinc/46/25/29/380462529.db2.gz QWEJLFHWYRRKBI-HOTGVXAUSA-N 1 3 348.447 -0.026 20 0 EBADHO NCC(=O)NCC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567611807 380530238 /nfs/dbraw/zinc/53/02/38/380530238.db2.gz MRMTVJHGADTTMK-UHFFFAOYSA-N 1 3 333.436 -0.829 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287771 380592906 /nfs/dbraw/zinc/59/29/06/380592906.db2.gz JPWSRTGWJIYJFP-IMJJTQAJSA-N 1 3 343.431 -0.173 20 0 EBADHO CSCC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000569004008 380626131 /nfs/dbraw/zinc/62/61/31/380626131.db2.gz XSFALMDPPCZVIJ-GFCCVEGCSA-N 1 3 346.478 -0.058 20 0 EBADHO C[C@@H]1CC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000573234668 380665576 /nfs/dbraw/zinc/66/55/76/380665576.db2.gz DUHNFVMMZQSGRL-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(CO)CO)CC2)CC1 ZINC000576112333 380757619 /nfs/dbraw/zinc/75/76/19/380757619.db2.gz AXQNDDSCFPJUDP-UHFFFAOYSA-N 1 3 328.457 -0.413 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000576123240 380758674 /nfs/dbraw/zinc/75/86/74/380758674.db2.gz ALFQPRXODSMNEC-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO COCCN(C)CC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000576135477 380758759 /nfs/dbraw/zinc/75/87/59/380758759.db2.gz PDJCTXNCNFDDNY-INIZCTEOSA-N 1 3 348.447 -0.100 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577084738 380801763 /nfs/dbraw/zinc/80/17/63/380801763.db2.gz FZKKEETUDZHNRA-UONOGXRCSA-N 1 3 325.457 -0.922 20 0 EBADHO OC[C@H]1CC[N@@H+](CCCCCN2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000577321083 380818306 /nfs/dbraw/zinc/81/83/06/380818306.db2.gz OUEXHSLVGDXSDM-YVSFHVDLSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CC[N@H+](CCCCCN2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000577321083 380818312 /nfs/dbraw/zinc/81/83/12/380818312.db2.gz OUEXHSLVGDXSDM-YVSFHVDLSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000577321083 380818317 /nfs/dbraw/zinc/81/83/17/380818317.db2.gz OUEXHSLVGDXSDM-YVSFHVDLSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000577321083 380818321 /nfs/dbraw/zinc/81/83/21/380818321.db2.gz OUEXHSLVGDXSDM-YVSFHVDLSA-N 1 3 330.469 -0.493 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417432141 380886856 /nfs/dbraw/zinc/88/68/56/380886856.db2.gz SHHYYVKUYCWQPQ-ZIAGYGMSSA-N 1 3 325.457 -0.020 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339279 380922595 /nfs/dbraw/zinc/92/25/95/380922595.db2.gz BVNSIERJASNMSA-GJZGRUSLSA-N 1 3 346.435 -0.485 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000582606748 381052044 /nfs/dbraw/zinc/05/20/44/381052044.db2.gz UHMHHPHBTVVNQG-IHRRRGAJSA-N 1 3 327.473 -0.772 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCCO1 ZINC000582771343 381064924 /nfs/dbraw/zinc/06/49/24/381064924.db2.gz JSRWPIFKILLXLK-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCN(C)C(=O)C1 ZINC000617507415 381036040 /nfs/dbraw/zinc/03/60/40/381036040.db2.gz VWLYISQGTGKWHN-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCN(C)C(=O)C1 ZINC000617507415 381036047 /nfs/dbraw/zinc/03/60/47/381036047.db2.gz VWLYISQGTGKWHN-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642431204 381092148 /nfs/dbraw/zinc/09/21/48/381092148.db2.gz WEVRVVXQKPNIPE-RBSFLKMASA-N 1 3 340.468 -0.058 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000642439962 381094482 /nfs/dbraw/zinc/09/44/82/381094482.db2.gz UAPBBXLPXPLJBG-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000581858252 381104464 /nfs/dbraw/zinc/10/44/64/381104464.db2.gz KPRCADTYOTYKCD-UHFFFAOYSA-N 1 3 337.490 -0.987 20 0 EBADHO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000104190658 381186675 /nfs/dbraw/zinc/18/66/75/381186675.db2.gz YNFPBOGZTKSMEM-UHFFFAOYSA-N 1 3 348.451 -0.175 20 0 EBADHO COC[C@@]1(CNC(=O)NC[C@H]2CCCN2CCCO)CCC[NH2+]1 ZINC000418633699 381252470 /nfs/dbraw/zinc/25/24/70/381252470.db2.gz IMZJRTNGBLFWJD-ZBFHGGJFSA-N 1 3 328.457 -0.099 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418760234 381262627 /nfs/dbraw/zinc/26/26/27/381262627.db2.gz JWKIRLTXNJAJOV-LSDHHAIUSA-N 1 3 327.473 -0.718 20 0 EBADHO CCC[NH2+]CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418478878 381241247 /nfs/dbraw/zinc/24/12/47/381241247.db2.gz XUVJJHOHULCYNM-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000418828517 381289958 /nfs/dbraw/zinc/28/99/58/381289958.db2.gz FSLQIGUJORIBOR-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418851063 381304591 /nfs/dbraw/zinc/30/45/91/381304591.db2.gz OXHFJKSJVZJCOA-HZPDHXFCSA-N 1 3 348.447 -0.620 20 0 EBADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418851062 381304894 /nfs/dbraw/zinc/30/48/94/381304894.db2.gz OXHFJKSJVZJCOA-HOTGVXAUSA-N 1 3 348.447 -0.620 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000643478966 381328243 /nfs/dbraw/zinc/32/82/43/381328243.db2.gz WDSHQJSWAZEITM-DZGCQCFKSA-N 1 3 347.419 -0.695 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419083947 381365169 /nfs/dbraw/zinc/36/51/69/381365169.db2.gz XTIXPMMNUAEKMB-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419172788 381393616 /nfs/dbraw/zinc/39/36/16/381393616.db2.gz RLASEDLEIPVZCK-CQSZACIVSA-N 1 3 328.457 -0.463 20 0 EBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)C(C)(C)C ZINC000419140285 381395681 /nfs/dbraw/zinc/39/56/81/381395681.db2.gz VPNGAZMFKXHCAR-OLZOCXBDSA-N 1 3 328.457 -0.426 20 0 EBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419404796 381429229 /nfs/dbraw/zinc/42/92/29/381429229.db2.gz GSXFDPWBTIIMMP-ZNMIVQPWSA-N 1 3 340.468 -0.425 20 0 EBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419404796 381429235 /nfs/dbraw/zinc/42/92/35/381429235.db2.gz GSXFDPWBTIIMMP-ZNMIVQPWSA-N 1 3 340.468 -0.425 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419419946 381434027 /nfs/dbraw/zinc/43/40/27/381434027.db2.gz JKRAVPDVVHIJBE-RRFJBIMHSA-N 1 3 340.468 -0.058 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419455350 381441078 /nfs/dbraw/zinc/44/10/78/381441078.db2.gz WNUYJVWSGAVJPF-SOUVJXGZSA-N 1 3 340.468 -0.343 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CN1CCOCC1 ZINC000245640103 381418826 /nfs/dbraw/zinc/41/88/26/381418826.db2.gz SCYHBSIFOGEZJJ-QGZVFWFLSA-N 1 3 328.501 -0.363 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CN1CCOCC1 ZINC000245640103 381418846 /nfs/dbraw/zinc/41/88/46/381418846.db2.gz SCYHBSIFOGEZJJ-QGZVFWFLSA-N 1 3 328.501 -0.363 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCSC1 ZINC000419590691 381462048 /nfs/dbraw/zinc/46/20/48/381462048.db2.gz UNQYEQMHZDVKLK-SWLSCSKDSA-N 1 3 328.482 -0.202 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419891088 381519704 /nfs/dbraw/zinc/51/97/04/381519704.db2.gz MUVXTDFAKGSCLQ-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419781489 381494701 /nfs/dbraw/zinc/49/47/01/381494701.db2.gz SFDCIORNGBYAPE-UHFFFAOYSA-N 1 3 328.457 -0.151 20 0 EBADHO COCCNCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419807118 381497709 /nfs/dbraw/zinc/49/77/09/381497709.db2.gz FXZDQNSWHKDBKS-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419831258 381500278 /nfs/dbraw/zinc/50/02/78/381500278.db2.gz HHMIQNUUNZEVPA-KBPBESRZSA-N 1 3 325.457 -0.922 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420114510 381542325 /nfs/dbraw/zinc/54/23/25/381542325.db2.gz ZEJTVFRHNYLCDL-MRXNPFEDSA-N 1 3 328.457 -0.471 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000420029958 381531604 /nfs/dbraw/zinc/53/16/04/381531604.db2.gz FYLVFRBLBBVBJT-XQQFMLRXSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420031063 381532985 /nfs/dbraw/zinc/53/29/85/381532985.db2.gz GYQUETDZOBROCN-DGCLKSJQSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420031063 381532991 /nfs/dbraw/zinc/53/29/91/381532991.db2.gz GYQUETDZOBROCN-DGCLKSJQSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420031064 381533090 /nfs/dbraw/zinc/53/30/90/381533090.db2.gz GYQUETDZOBROCN-WCQYABFASA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420031064 381533092 /nfs/dbraw/zinc/53/30/92/381533092.db2.gz GYQUETDZOBROCN-WCQYABFASA-N 1 3 326.441 -0.232 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420037901 381533948 /nfs/dbraw/zinc/53/39/48/381533948.db2.gz MKJJSJNNMUJLRQ-JHJVBQTASA-N 1 3 326.441 -0.184 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420037901 381533956 /nfs/dbraw/zinc/53/39/56/381533956.db2.gz MKJJSJNNMUJLRQ-JHJVBQTASA-N 1 3 326.441 -0.184 20 0 EBADHO Cn1cnc2c1c(=O)n(CCC[NH2+][C@@H]1CCNCC1(C)C)c(=O)n2C ZINC000420374035 381581459 /nfs/dbraw/zinc/58/14/59/381581459.db2.gz ZXNLAFYIOYYEOZ-GFCCVEGCSA-N 1 3 348.451 -0.199 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN[C@@H]1CC[NH2+]CC1(C)C)c(=O)n2C ZINC000420374035 381581465 /nfs/dbraw/zinc/58/14/65/381581465.db2.gz ZXNLAFYIOYYEOZ-GFCCVEGCSA-N 1 3 348.451 -0.199 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420177387 381562633 /nfs/dbraw/zinc/56/26/33/381562633.db2.gz CFEHXXORUSKXKE-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000420186141 381563927 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EBADHO CC1CCN(C[C@@H](O)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645959186 420529626 /nfs/dbraw/zinc/52/96/26/420529626.db2.gz FAEPIFVSIOSDGM-UONOGXRCSA-N 1 3 326.441 -0.936 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645959185 420530304 /nfs/dbraw/zinc/53/03/04/420530304.db2.gz FAEPIFVSIOSDGM-KGLIPLIRSA-N 1 3 326.441 -0.936 20 0 EBADHO COC1CCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000646181083 420539436 /nfs/dbraw/zinc/53/94/36/420539436.db2.gz UNIMKLOGXUHJAG-CQSZACIVSA-N 1 3 326.441 -0.528 20 0 EBADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@]2(O)CCN(C)C2)CC1 ZINC000496945447 420654087 /nfs/dbraw/zinc/65/40/87/420654087.db2.gz PRGMJAMFUFJRBC-OAHLLOKOSA-N 1 3 327.429 -0.212 20 0 EBADHO CN1CCC([NH+]2CCC(NC(=O)NC[C@@H]3COCCN3)CC2)CC1 ZINC000529302576 420761894 /nfs/dbraw/zinc/76/18/94/420761894.db2.gz ZICMVMOQLRVCBA-OAHLLOKOSA-N 1 3 339.484 -0.167 20 0 EBADHO CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3COCCN3)CC2)CC1 ZINC000529302561 420762242 /nfs/dbraw/zinc/76/22/42/420762242.db2.gz ZICMVMOQLRVCBA-HNNXBMFYSA-N 1 3 339.484 -0.167 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000649313287 420799026 /nfs/dbraw/zinc/79/90/26/420799026.db2.gz YPVLJSVEAILJOE-NEPJUHHUSA-N 1 3 332.395 -0.065 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000649313287 420799029 /nfs/dbraw/zinc/79/90/29/420799029.db2.gz YPVLJSVEAILJOE-NEPJUHHUSA-N 1 3 332.395 -0.065 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656019791 420866777 /nfs/dbraw/zinc/86/67/77/420866777.db2.gz JLUBASBMYYBIEY-LSDHHAIUSA-N 1 3 337.468 -0.859 20 0 EBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000658522219 420958817 /nfs/dbraw/zinc/95/88/17/420958817.db2.gz NBTQUPGYLVBVCE-HNNXBMFYSA-N 1 3 340.468 -0.424 20 0 EBADHO COC[C@@]1(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)CCC[NH2+]1 ZINC000659542469 421004182 /nfs/dbraw/zinc/00/41/82/421004182.db2.gz PTTKTWINTFTYJK-INIZCTEOSA-N 1 3 343.472 -0.584 20 0 EBADHO CN1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000659609457 421005579 /nfs/dbraw/zinc/00/55/79/421005579.db2.gz WKSMCLCILXNNMY-CABCVRRESA-N 1 3 325.457 -0.476 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659677362 421013056 /nfs/dbraw/zinc/01/30/56/421013056.db2.gz OQXFZQURVMWGJZ-TUBUQKNSSA-N 1 3 338.452 -0.528 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659699031 421015944 /nfs/dbraw/zinc/01/59/44/421015944.db2.gz OFALKPKLBSIULU-UHFFFAOYSA-N 1 3 341.500 -0.284 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CCSC1 ZINC000659702047 421017507 /nfs/dbraw/zinc/01/75/07/421017507.db2.gz MVNKGNCXPAQOMC-OAHLLOKOSA-N 1 3 328.482 -0.072 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659714753 421019667 /nfs/dbraw/zinc/01/96/67/421019667.db2.gz VHDZJEMZSYVILH-UHFFFAOYSA-N 1 3 333.436 -0.255 20 0 EBADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000659730826 421025172 /nfs/dbraw/zinc/02/51/72/421025172.db2.gz ZWUFSGAMDWDXCL-HNNXBMFYSA-N 1 3 338.452 -0.671 20 0 EBADHO CN(C)CCOC1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744964 421027984 /nfs/dbraw/zinc/02/79/84/421027984.db2.gz MWZSTLKVWUEHOP-UHFFFAOYSA-N 1 3 338.452 -0.576 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662716749 421096704 /nfs/dbraw/zinc/09/67/04/421096704.db2.gz WIXRDHJDOKQOTJ-KGLIPLIRSA-N 1 3 326.441 -0.637 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929574 421111225 /nfs/dbraw/zinc/11/12/25/421111225.db2.gz HJYOJOKVJHETFY-XOYHFGRZSA-N 1 3 338.452 -0.495 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000663937646 421144608 /nfs/dbraw/zinc/14/46/08/421144608.db2.gz NLRIGEAZKRKZHZ-GJZGRUSLSA-N 1 3 328.457 -0.196 20 0 EBADHO CN(C)CCn1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000424161962 421195133 /nfs/dbraw/zinc/19/51/33/421195133.db2.gz WKQOJBWRQADXST-LBPRGKRZSA-N 1 3 332.412 0.213 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000423401803 265002766 /nfs/dbraw/zinc/00/27/66/265002766.db2.gz XLDFERWXXGPASQ-QGZVFWFLSA-N 1 3 340.468 -0.375 20 0 EBADHO N[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1F ZINC000424034080 265046461 /nfs/dbraw/zinc/04/64/61/265046461.db2.gz ZKSOATTULLZGTC-CFVMTHIKSA-N 1 3 334.395 -0.053 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430878376 265155790 /nfs/dbraw/zinc/15/57/90/265155790.db2.gz NXUALJUOZZXIOA-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430874716 265156729 /nfs/dbraw/zinc/15/67/29/265156729.db2.gz GOZQPSJOROOHGE-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420067376 272818877 /nfs/dbraw/zinc/81/88/77/272818877.db2.gz SKGZFUKZZPIEAD-CYBMUJFWSA-N 1 3 347.419 -0.408 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333755353 279087629 /nfs/dbraw/zinc/08/76/29/279087629.db2.gz ZQFULMNKFXZORS-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cn1 ZINC000126661524 545733847 /nfs/dbraw/zinc/73/38/47/545733847.db2.gz HMQBMUAQCHJRQA-AWEZNQCLSA-N 1 3 348.451 -0.016 20 0 EBADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 ZINC000126661281 545734259 /nfs/dbraw/zinc/73/42/59/545734259.db2.gz HMQBMUAQCHJRQA-CQSZACIVSA-N 1 3 348.451 -0.016 20 0 EBADHO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673218875 546135291 /nfs/dbraw/zinc/13/52/91/546135291.db2.gz IEIHJUMPHFPUSR-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO CCN1CCN(CC(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000673671232 546146619 /nfs/dbraw/zinc/14/66/19/546146619.db2.gz VZWKHZJWANSPLK-UHFFFAOYSA-N 1 3 325.501 -0.232 20 0 EBADHO CCN1CCN(CC(=O)NCCCN2CCC[N@@H+](C)CC2)CC1 ZINC000673671232 546146623 /nfs/dbraw/zinc/14/66/23/546146623.db2.gz VZWKHZJWANSPLK-UHFFFAOYSA-N 1 3 325.501 -0.232 20 0 EBADHO CCN1CCN(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)CC1 ZINC000673671232 546146624 /nfs/dbraw/zinc/14/66/24/546146624.db2.gz VZWKHZJWANSPLK-UHFFFAOYSA-N 1 3 325.501 -0.232 20 0 EBADHO CCN1CCN(CC(=O)NCCC[N@H+]2CCCN(C)CC2)CC1 ZINC000673671232 546146628 /nfs/dbraw/zinc/14/66/28/546146628.db2.gz VZWKHZJWANSPLK-UHFFFAOYSA-N 1 3 325.501 -0.232 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000676095382 546194858 /nfs/dbraw/zinc/19/48/58/546194858.db2.gz FZQMVZLZFVWXST-UHFFFAOYSA-N 1 3 345.407 -0.572 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685608 582778677 /nfs/dbraw/zinc/77/86/77/582778677.db2.gz GIHLOMYVFPGKSL-WBVHZDCISA-N 1 3 326.485 -0.025 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900685608 582778678 /nfs/dbraw/zinc/77/86/78/582778678.db2.gz GIHLOMYVFPGKSL-WBVHZDCISA-N 1 3 326.485 -0.025 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NC[C@H]1CCCO1)C2 ZINC000903493159 582809765 /nfs/dbraw/zinc/80/97/65/582809765.db2.gz VTGGPDJFIRSTHL-REVBEMBVSA-N 1 3 339.436 -0.118 20 0 EBADHO CC1(C)CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1[NH3+] ZINC000903715658 582815366 /nfs/dbraw/zinc/81/53/66/582815366.db2.gz YROQTQWZYOKHCT-CQSZACIVSA-N 1 3 331.420 -0.074 20 0 EBADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)C2)C1 ZINC000903776504 582820246 /nfs/dbraw/zinc/82/02/46/582820246.db2.gz RDKSZHKRQUFDHE-GYSYKLTISA-N 1 3 348.369 -0.111 20 0 EBADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)C2)C1 ZINC000903776504 582820247 /nfs/dbraw/zinc/82/02/47/582820247.db2.gz RDKSZHKRQUFDHE-GYSYKLTISA-N 1 3 348.369 -0.111 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=S)NCC[NH+](C)C ZINC000751041245 583141314 /nfs/dbraw/zinc/14/13/14/583141314.db2.gz ZMFIUZMVLPUGEP-CYBMUJFWSA-N 1 3 329.514 -0.045 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCCCC1 ZINC000793721045 583569341 /nfs/dbraw/zinc/56/93/41/583569341.db2.gz PPCJLNOZMMMRKN-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804051658 583637308 /nfs/dbraw/zinc/63/73/08/583637308.db2.gz ASLZOAILRSKUBC-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804053393 583638018 /nfs/dbraw/zinc/63/80/18/583638018.db2.gz JQZPASGAADVAPT-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000817813533 583729811 /nfs/dbraw/zinc/72/98/11/583729811.db2.gz HYYXFBVJDPYKCP-RRFJBIMHSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000817813533 583729812 /nfs/dbraw/zinc/72/98/12/583729812.db2.gz HYYXFBVJDPYKCP-RRFJBIMHSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000824826569 583850648 /nfs/dbraw/zinc/85/06/48/583850648.db2.gz LCUMRWWVDDFTBY-ZFWWWQNUSA-N 1 3 348.513 -0.154 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000824826569 583850650 /nfs/dbraw/zinc/85/06/50/583850650.db2.gz LCUMRWWVDDFTBY-ZFWWWQNUSA-N 1 3 348.513 -0.154 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000827936267 583929624 /nfs/dbraw/zinc/92/96/24/583929624.db2.gz IDJQGKZQWRQVKO-MELADBBJSA-N 1 3 334.424 -0.204 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842016254 584056369 /nfs/dbraw/zinc/05/63/69/584056369.db2.gz SNCCRTAODVBVRL-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCO1 ZINC000842016314 584056456 /nfs/dbraw/zinc/05/64/56/584056456.db2.gz UBHOJUWVWUJIRG-MELADBBJSA-N 1 3 326.441 -0.448 20 0 EBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842165561 584059080 /nfs/dbraw/zinc/05/90/80/584059080.db2.gz ZKDAXTTWUPGPCK-HZSPNIEDSA-N 1 3 326.441 -0.401 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844181061 584090268 /nfs/dbraw/zinc/09/02/68/584090268.db2.gz OETSRDFDSSXGQS-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO [NH2+]=C(NCCCN1CCOCC1)NCCCN1CCC(O)CC1 ZINC000849061122 584165537 /nfs/dbraw/zinc/16/55/37/584165537.db2.gz RCYURNCHMLUYBI-UHFFFAOYSA-N 1 3 327.473 -0.331 20 0 EBADHO O=C(CNC[C@H]1CCCO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004345 584451113 /nfs/dbraw/zinc/45/11/13/584451113.db2.gz KEAJMUFNDHMYAS-SYQHCUMBSA-N 1 3 338.408 -0.852 20 0 EBADHO O=C([C@@H]1CNCCC1(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303492 584461539 /nfs/dbraw/zinc/46/15/39/584461539.db2.gz INKHJBFZJUDBRB-KXNHARMFSA-N 1 3 344.362 -0.375 20 0 EBADHO O=C([C@H]1CNCCC1(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303493 584461632 /nfs/dbraw/zinc/46/16/32/584461632.db2.gz INKHJBFZJUDBRB-QCNOEVLYSA-N 1 3 344.362 -0.375 20 0 EBADHO CON(C)C(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000875713840 584505014 /nfs/dbraw/zinc/50/50/14/584505014.db2.gz HZIGGYDHRVHJFL-STQMWFEESA-N 1 3 331.461 -0.034 20 0 EBADHO CON(C)C(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000875713840 584505016 /nfs/dbraw/zinc/50/50/16/584505016.db2.gz HZIGGYDHRVHJFL-STQMWFEESA-N 1 3 331.461 -0.034 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCS(N)(=O)=O ZINC000875713895 584505067 /nfs/dbraw/zinc/50/50/67/584505067.db2.gz QXXCOHCGQJCYQF-LBPRGKRZSA-N 1 3 337.490 -0.812 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCS(N)(=O)=O ZINC000875713895 584505069 /nfs/dbraw/zinc/50/50/69/584505069.db2.gz QXXCOHCGQJCYQF-LBPRGKRZSA-N 1 3 337.490 -0.812 20 0 EBADHO COC[C@@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CNCCO1 ZINC000876763617 584522844 /nfs/dbraw/zinc/52/28/44/584522844.db2.gz GTIFSCSWAJVACD-WMLDXEAASA-N 1 3 340.468 -0.724 20 0 EBADHO COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CNCCO1 ZINC000876763617 584522845 /nfs/dbraw/zinc/52/28/45/584522845.db2.gz GTIFSCSWAJVACD-WMLDXEAASA-N 1 3 340.468 -0.724 20 0 EBADHO COC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CNCCO1 ZINC000876763617 584522847 /nfs/dbraw/zinc/52/28/47/584522847.db2.gz GTIFSCSWAJVACD-WMLDXEAASA-N 1 3 340.468 -0.724 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)CCN1c1cc[nH+]cc1 ZINC000883638255 584604073 /nfs/dbraw/zinc/60/40/73/584604073.db2.gz HHULQADDNVQMRA-CQSZACIVSA-N 1 3 331.420 -0.059 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1c1ccncc1 ZINC000883641986 584604080 /nfs/dbraw/zinc/60/40/80/584604080.db2.gz ALZJCIAJICLZMW-IPYPFGDCSA-N 1 3 329.404 -0.309 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC000883638715 584604130 /nfs/dbraw/zinc/60/41/30/584604130.db2.gz VCJUMTIWCGNHRN-KBPBESRZSA-N 1 3 331.420 -0.061 20 0 EBADHO O=C(c1ccnc(N2CCNCC2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884290058 584620841 /nfs/dbraw/zinc/62/08/41/584620841.db2.gz QNSWAPSPHRDIOH-MRXNPFEDSA-N 1 3 344.463 -0.389 20 0 EBADHO CCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000884508235 584625129 /nfs/dbraw/zinc/62/51/29/584625129.db2.gz YLGQBDQXPFLBKN-CQSZACIVSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000884516811 584625626 /nfs/dbraw/zinc/62/56/26/584625626.db2.gz VGOARODCKAFVDV-IPYPFGDCSA-N 1 3 338.452 -0.306 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884559898 584627152 /nfs/dbraw/zinc/62/71/52/584627152.db2.gz IGZWGJAUHNLTJD-TUVASFSCSA-N 1 3 336.436 -0.681 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884597665 584628958 /nfs/dbraw/zinc/62/89/58/584628958.db2.gz GMEADNSERUFUSY-GJZGRUSLSA-N 1 3 339.484 -0.532 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884650200 584631799 /nfs/dbraw/zinc/63/17/99/584631799.db2.gz BLUQQBCDQJZUBH-AWEZNQCLSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884707659 584635364 /nfs/dbraw/zinc/63/53/64/584635364.db2.gz UULBSVXGNDHFQY-IUODEOHRSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000887091271 584676368 /nfs/dbraw/zinc/67/63/68/584676368.db2.gz GGGDGXAVFYHQPI-ZIAGYGMSSA-N 1 3 331.420 -0.074 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000887093285 584676385 /nfs/dbraw/zinc/67/63/85/584676385.db2.gz GWFOVBZFLLHBAP-IPYPFGDCSA-N 1 3 329.404 -0.309 20 0 EBADHO CCN1CCC(NC(=O)Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)CC1 ZINC000887436657 584678293 /nfs/dbraw/zinc/67/82/93/584678293.db2.gz TZGAKCYZCZPKDU-AWEZNQCLSA-N 1 3 349.483 -0.198 20 0 EBADHO CN1CCN(CCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1(C)C ZINC000908002714 650092608 /nfs/dbraw/zinc/09/26/08/650092608.db2.gz VVIRQCKOHHPXOK-KRWDZBQOSA-N 1 3 326.485 -0.025 20 0 EBADHO CN1CCN(CCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1(C)C ZINC000908002714 650092612 /nfs/dbraw/zinc/09/26/12/650092612.db2.gz VVIRQCKOHHPXOK-KRWDZBQOSA-N 1 3 326.485 -0.025 20 0 EBADHO CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CN3CCN2CCC3)CC1 ZINC000908027492 650095059 /nfs/dbraw/zinc/09/50/59/650095059.db2.gz HADTUMYIPWUMTR-KRWDZBQOSA-N 1 3 337.512 -0.091 20 0 EBADHO C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)N1CCCCC1 ZINC000910946248 650141580 /nfs/dbraw/zinc/14/15/80/650141580.db2.gz IRXSDVRPKIFPNY-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCCCC1 ZINC000910947374 650141611 /nfs/dbraw/zinc/14/16/11/650141611.db2.gz WVHSEVYIZRSZDV-CQSZACIVSA-N 1 3 339.484 -0.484 20 0 EBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000910999591 650144826 /nfs/dbraw/zinc/14/48/26/650144826.db2.gz MUNVZYSTJUTHLR-UHFFFAOYSA-N 1 3 341.500 -0.364 20 0 EBADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027028 650146303 /nfs/dbraw/zinc/14/63/03/650146303.db2.gz BGCMRWYJUUSFKC-GJZGRUSLSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027028 650146306 /nfs/dbraw/zinc/14/63/06/650146306.db2.gz BGCMRWYJUUSFKC-GJZGRUSLSA-N 1 3 339.484 -0.756 20 0 EBADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911056914 650148678 /nfs/dbraw/zinc/14/86/78/650148678.db2.gz ZRZQKEUFWYNYCS-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911056914 650148679 /nfs/dbraw/zinc/14/86/79/650148679.db2.gz ZRZQKEUFWYNYCS-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000911147155 650154144 /nfs/dbraw/zinc/15/41/44/650154144.db2.gz OLRDWQBRAZKFOR-OCCSQVGLSA-N 1 3 337.468 -0.733 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147722 650154344 /nfs/dbraw/zinc/15/43/44/650154344.db2.gz SCRSBEQMBPBNOF-SWLSCSKDSA-N 1 3 337.468 -0.875 20 0 EBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000911146923 650154410 /nfs/dbraw/zinc/15/44/10/650154410.db2.gz CXYYABJJUILUME-XJIUQZFPSA-N 1 3 336.436 -0.694 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149587 650154901 /nfs/dbraw/zinc/15/49/01/650154901.db2.gz YAWHPWMEPZXEBU-LJISPDSOSA-N 1 3 336.436 -0.966 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCSC1 ZINC000911199066 650159184 /nfs/dbraw/zinc/15/91/84/650159184.db2.gz JSPPYIZGHNFUNY-HZPDHXFCSA-N 1 3 340.493 -0.106 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCSC1 ZINC000911201608 650159615 /nfs/dbraw/zinc/15/96/15/650159615.db2.gz XEICPFJMRWZXKK-WFASDCNBSA-N 1 3 328.482 -0.263 20 0 EBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000911224494 650160969 /nfs/dbraw/zinc/16/09/69/650160969.db2.gz ZAWZKMALRVAYLF-HNNXBMFYSA-N 1 3 337.468 -0.874 20 0 EBADHO C[C@H](CCNC(=O)C(=O)N1CCNCCNCC1)[NH+]1CCCCC1 ZINC000911241912 650162513 /nfs/dbraw/zinc/16/25/13/650162513.db2.gz GCYQGGAKPOJEFS-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C[NH+](C)C ZINC000911298818 650167750 /nfs/dbraw/zinc/16/77/50/650167750.db2.gz XGJMGZXRTHPCOH-UPJWGTAASA-N 1 3 344.456 -0.702 20 0 EBADHO CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000911311073 650170180 /nfs/dbraw/zinc/17/01/80/650170180.db2.gz OVPDXTKBGKKVLI-UUCFBXCCSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911330357 650171886 /nfs/dbraw/zinc/17/18/86/650171886.db2.gz JSLACFDMAMTUNU-PBHICJAKSA-N 1 3 340.468 -0.465 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911384018 650177906 /nfs/dbraw/zinc/17/79/06/650177906.db2.gz FMTPVKAQPKBFNT-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911545518 650192713 /nfs/dbraw/zinc/19/27/13/650192713.db2.gz PPSRHLWIURQWKL-BBRMVZONSA-N 1 3 326.441 -0.588 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000911545518 650192715 /nfs/dbraw/zinc/19/27/15/650192715.db2.gz PPSRHLWIURQWKL-BBRMVZONSA-N 1 3 326.441 -0.588 20 0 EBADHO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC000911776066 650196225 /nfs/dbraw/zinc/19/62/25/650196225.db2.gz UBIUXWHWAVATBI-HNNXBMFYSA-N 1 3 345.447 -0.124 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000912302286 650202291 /nfs/dbraw/zinc/20/22/91/650202291.db2.gz AEGGVVCCOPOQOC-NWANDNLSSA-N 1 3 338.456 -0.024 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000912302286 650202292 /nfs/dbraw/zinc/20/22/92/650202292.db2.gz AEGGVVCCOPOQOC-NWANDNLSSA-N 1 3 338.456 -0.024 20 0 EBADHO CC(C)N(CCCNC(=O)CN1CC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000923492449 650342435 /nfs/dbraw/zinc/34/24/35/650342435.db2.gz OPYYBRJPQISAKS-AWEZNQCLSA-N 1 3 348.513 -0.167 20 0 EBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332503 650386712 /nfs/dbraw/zinc/38/67/12/650386712.db2.gz GEDVKTYNRPIIEL-WMLDXEAASA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)CC[C@H]1C[NH3+] ZINC000926336525 650387196 /nfs/dbraw/zinc/38/71/96/650387196.db2.gz XYFMGXMLRMOOCE-HZSPNIEDSA-N 1 3 326.441 -0.781 20 0 EBADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@H]1C ZINC000926345033 650388104 /nfs/dbraw/zinc/38/81/04/650388104.db2.gz NAWDPRXXOVDJGY-HUUCEWRRSA-N 1 3 339.484 -0.661 20 0 EBADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C[C@H]1C ZINC000926345033 650388105 /nfs/dbraw/zinc/38/81/05/650388105.db2.gz NAWDPRXXOVDJGY-HUUCEWRRSA-N 1 3 339.484 -0.661 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C[NH+](C)C ZINC000929991780 651575129 /nfs/dbraw/zinc/57/51/29/651575129.db2.gz JISZXTRKORZTQH-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C[NH+](C)C ZINC000930490988 651598806 /nfs/dbraw/zinc/59/88/06/651598806.db2.gz KAEQNJPXNVAJCA-CFVMTHIKSA-N 1 3 340.468 -0.332 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C[NH+](C)C ZINC000932470991 651683101 /nfs/dbraw/zinc/68/31/01/651683101.db2.gz CYGBUEWZJAVTFD-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592873 653161903 /nfs/dbraw/zinc/16/19/03/653161903.db2.gz ZNBBUMMPHPOVRA-OWCLPIDISA-N 1 3 334.464 -0.016 20 0 EBADHO COCCN1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171529 722317949 /nfs/dbraw/zinc/31/79/49/722317949.db2.gz KDQWAISMHBJAAH-GJZGRUSLSA-N 1 3 325.453 -0.082 20 0 EBADHO COCCN1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC000958467387 722371373 /nfs/dbraw/zinc/37/13/73/722371373.db2.gz HRBGMTXRUXHJFM-UKRRQHHQSA-N 1 3 339.440 -0.886 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC[N@@H+]1C ZINC000958860032 722623154 /nfs/dbraw/zinc/62/31/54/722623154.db2.gz XGRLPGVSOSAQMS-RZFFKMDDSA-N 1 3 349.435 -0.678 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC[N@H+]1C ZINC000958860032 722623155 /nfs/dbraw/zinc/62/31/55/722623155.db2.gz XGRLPGVSOSAQMS-RZFFKMDDSA-N 1 3 349.435 -0.678 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC000962311223 723223954 /nfs/dbraw/zinc/22/39/54/723223954.db2.gz XDORSZMHFKJJAJ-OIPACUDHSA-N 1 3 334.464 -0.003 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)C1 ZINC000962311223 723223956 /nfs/dbraw/zinc/22/39/56/723223956.db2.gz XDORSZMHFKJJAJ-OIPACUDHSA-N 1 3 334.464 -0.003 20 0 EBADHO CN(C)c1ccncc1C(=O)NC1CC(C[NH2+]Cc2nnnn2C)C1 ZINC000962545014 723280724 /nfs/dbraw/zinc/28/07/24/723280724.db2.gz IUWITVVLLIXMDH-UHFFFAOYSA-N 1 3 344.423 -0.031 20 0 EBADHO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000963839753 723498720 /nfs/dbraw/zinc/49/87/20/723498720.db2.gz XFIMMEYKXANYNU-OEQALTSJSA-N 1 3 336.436 -0.648 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001019383309 728875795 /nfs/dbraw/zinc/87/57/95/728875795.db2.gz BZAZWOLEDRAYRB-KGLIPLIRSA-N 1 3 336.436 -0.332 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001019383304 728876071 /nfs/dbraw/zinc/87/60/71/728876071.db2.gz BZAZWOLEDRAYRB-KBPBESRZSA-N 1 3 336.436 -0.332 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CN(C(=O)Cc2c[nH]cn2)CCO3)C1 ZINC000965513007 724279257 /nfs/dbraw/zinc/27/92/57/724279257.db2.gz FNNUSRUSJCJETM-ZDUSSCGKSA-N 1 3 347.419 -0.656 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CN(C(=O)Cc2c[nH]cn2)CCO3)C1 ZINC000965513007 724279260 /nfs/dbraw/zinc/27/92/60/724279260.db2.gz FNNUSRUSJCJETM-ZDUSSCGKSA-N 1 3 347.419 -0.656 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)N(C)C ZINC000968456661 725066604 /nfs/dbraw/zinc/06/66/04/725066604.db2.gz VIUMRJQWMWMPBA-ILXRZTDVSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019576324 728926286 /nfs/dbraw/zinc/92/62/86/728926286.db2.gz PWANOPRFCUXUQM-JSGCOSHPSA-N 1 3 326.441 -0.448 20 0 EBADHO O=C(N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000969066027 725146538 /nfs/dbraw/zinc/14/65/38/725146538.db2.gz FOBGQKRONZFYQG-ZIAGYGMSSA-N 1 3 348.447 -0.142 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)N(C)C ZINC000969077374 725148659 /nfs/dbraw/zinc/14/86/59/725148659.db2.gz PILBDGXWYRHLMY-RBSFLKMASA-N 1 3 340.468 -0.236 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)N1CCC1 ZINC000969407757 725177256 /nfs/dbraw/zinc/17/72/56/725177256.db2.gz UIUQFXWFABDCMH-NWPKHEMWSA-N 1 3 348.447 -0.728 20 0 EBADHO CC(C)(C(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC000969564559 725193095 /nfs/dbraw/zinc/19/30/95/725193095.db2.gz WFRLDZJTPKWBFN-CHWSQXEVSA-N 1 3 336.436 -0.144 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000969956517 725231926 /nfs/dbraw/zinc/23/19/26/725231926.db2.gz XWCKUTGQFIEEBK-QWHCGFSZSA-N 1 3 337.424 -0.930 20 0 EBADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000969965780 725233199 /nfs/dbraw/zinc/23/31/99/725233199.db2.gz XODUOIJZNCBXMO-OLZOCXBDSA-N 1 3 336.436 -0.286 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)N(C)C ZINC000969985964 725235207 /nfs/dbraw/zinc/23/52/07/725235207.db2.gz PILBDGXWYRHLMY-ZNMIVQPWSA-N 1 3 340.468 -0.236 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739947 725589273 /nfs/dbraw/zinc/58/92/73/725589273.db2.gz JDTMROUSKNKUFJ-ZDUSSCGKSA-N 1 3 349.435 -0.833 20 0 EBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896459 725670660 /nfs/dbraw/zinc/67/06/60/725670660.db2.gz WBDAAFLJIKKQRF-HOTGVXAUSA-N 1 3 334.464 -0.005 20 0 EBADHO O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000993582083 725911929 /nfs/dbraw/zinc/91/19/29/725911929.db2.gz UBLYLGYVTNTLPT-GJZGRUSLSA-N 1 3 348.447 -0.728 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]32)CC[N@@H+]1C ZINC000976595939 726357690 /nfs/dbraw/zinc/35/76/90/726357690.db2.gz ODGILEGOMMLSBG-FWXGHANASA-N 1 3 334.464 -0.006 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]32)CC[N@H+]1C ZINC000976595939 726357692 /nfs/dbraw/zinc/35/76/92/726357692.db2.gz ODGILEGOMMLSBG-FWXGHANASA-N 1 3 334.464 -0.006 20 0 EBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000996357398 726372672 /nfs/dbraw/zinc/37/26/72/726372672.db2.gz XMFYOXZXONHQQW-ZDUSSCGKSA-N 1 3 347.419 -0.072 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC000996681245 726422121 /nfs/dbraw/zinc/42/21/21/726422121.db2.gz YMLUTOKNRZBGGS-DZGCQCFKSA-N 1 3 336.436 -0.288 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996821715 726428824 /nfs/dbraw/zinc/42/88/24/726428824.db2.gz HXGUMMSLDDESSK-VTPHYOBMSA-N 1 3 348.447 -0.681 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996821711 726428884 /nfs/dbraw/zinc/42/88/84/726428884.db2.gz HXGUMMSLDDESSK-HBSJQHRPSA-N 1 3 348.447 -0.681 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)N1CCOCC1 ZINC000997040691 726435520 /nfs/dbraw/zinc/43/55/20/726435520.db2.gz IUAGRMFJORSXDP-UHFFFAOYSA-N 1 3 335.408 -0.608 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000997037021 726435555 /nfs/dbraw/zinc/43/55/55/726435555.db2.gz QNTNMDYLJJJKPW-UHFFFAOYSA-N 1 3 333.392 -0.318 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000997065956 726437053 /nfs/dbraw/zinc/43/70/53/726437053.db2.gz RGYVGWFZMBDRQQ-FLRRBRPGSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000997065956 726437054 /nfs/dbraw/zinc/43/70/54/726437054.db2.gz RGYVGWFZMBDRQQ-FLRRBRPGSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000997065962 726437072 /nfs/dbraw/zinc/43/70/72/726437072.db2.gz RGYVGWFZMBDRQQ-IBTMFYDMSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000997065962 726437073 /nfs/dbraw/zinc/43/70/73/726437073.db2.gz RGYVGWFZMBDRQQ-IBTMFYDMSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000997065959 726437079 /nfs/dbraw/zinc/43/70/79/726437079.db2.gz RGYVGWFZMBDRQQ-HGGZBGRVSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000997065959 726437080 /nfs/dbraw/zinc/43/70/80/726437080.db2.gz RGYVGWFZMBDRQQ-HGGZBGRVSA-N 1 3 348.447 -0.872 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997611791 726457404 /nfs/dbraw/zinc/45/74/04/726457404.db2.gz HKJGMBGIODGVIN-ZIAGYGMSSA-N 1 3 336.436 -0.286 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)cn1 ZINC001000429367 726566849 /nfs/dbraw/zinc/56/68/49/726566849.db2.gz CEQXQJYQUZMNKL-HUUCEWRRSA-N 1 3 348.451 -0.473 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051847750 735425686 /nfs/dbraw/zinc/42/56/86/735425686.db2.gz AGUKRKQOHNSQJL-KGLIPLIRSA-N 1 3 345.407 -0.452 20 0 EBADHO Cn1cc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)cn1 ZINC001051904107 735455919 /nfs/dbraw/zinc/45/59/19/735455919.db2.gz APESAKLBHYFDTD-OAHLLOKOSA-N 1 3 333.436 -0.167 20 0 EBADHO O=C(N[C@@H]1CC12CC[NH+](CCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001016740594 728500000 /nfs/dbraw/zinc/50/00/00/728500000.db2.gz KYLBDOVJLPETEM-NWPKHEMWSA-N 1 3 335.448 -0.187 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC001018861259 728696173 /nfs/dbraw/zinc/69/61/73/728696173.db2.gz QSWMHSLUIAKHPD-UONOGXRCSA-N 1 3 348.451 -0.473 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001024416695 729884750 /nfs/dbraw/zinc/88/47/50/729884750.db2.gz VIUMRJQWMWMPBA-RBSFLKMASA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025795072 730089442 /nfs/dbraw/zinc/08/94/42/730089442.db2.gz PGQWYMIBQUYRCV-FPXDANJGSA-N 1 3 348.447 -0.432 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@H+]1C ZINC001025795072 730089444 /nfs/dbraw/zinc/08/94/44/730089444.db2.gz PGQWYMIBQUYRCV-FPXDANJGSA-N 1 3 348.447 -0.432 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040881 730117285 /nfs/dbraw/zinc/11/72/85/730117285.db2.gz SVLSFEADLBVPNX-VBTGVMJWSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040881 730117287 /nfs/dbraw/zinc/11/72/87/730117287.db2.gz SVLSFEADLBVPNX-VBTGVMJWSA-N 1 3 334.420 -0.678 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001028549067 730312128 /nfs/dbraw/zinc/31/21/28/730312128.db2.gz LJJFXASGCMIEKI-QLFBSQMISA-N 1 3 337.468 -0.210 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001028549067 730312129 /nfs/dbraw/zinc/31/21/29/730312129.db2.gz LJJFXASGCMIEKI-QLFBSQMISA-N 1 3 337.468 -0.210 20 0 EBADHO O=C(NCC1CN(C[C@@H](O)Cn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031672536 730749080 /nfs/dbraw/zinc/74/90/80/730749080.db2.gz JKZXSYYIQLEDMQ-SJORKVTESA-N 1 3 347.463 -0.366 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001040099733 731597727 /nfs/dbraw/zinc/59/77/27/731597727.db2.gz LAJXKNBDOYNVKW-QGZVFWFLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001040099733 731597729 /nfs/dbraw/zinc/59/77/29/731597729.db2.gz LAJXKNBDOYNVKW-QGZVFWFLSA-N 1 3 342.484 -0.252 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351621 731707281 /nfs/dbraw/zinc/70/72/81/731707281.db2.gz KWHWAQDPCAGYOR-SUMWQHHRSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040351621 731707284 /nfs/dbraw/zinc/70/72/84/731707284.db2.gz KWHWAQDPCAGYOR-SUMWQHHRSA-N 1 3 349.435 -0.626 20 0 EBADHO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040360256 731712967 /nfs/dbraw/zinc/71/29/67/731712967.db2.gz VNNKLMUMVAWGNW-YOEHRIQHSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040451262 731739530 /nfs/dbraw/zinc/73/95/30/731739530.db2.gz SXFGMWOITGRKGK-MRXNPFEDSA-N 1 3 328.457 -0.641 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040454747 731741097 /nfs/dbraw/zinc/74/10/97/731741097.db2.gz SQIWLLJILFWKQV-MRXNPFEDSA-N 1 3 337.424 -0.708 20 0 EBADHO CN(CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001040801780 731881619 /nfs/dbraw/zinc/88/16/19/731881619.db2.gz UUZSXVDIRRNJFH-KRWDZBQOSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043115584 732765267 /nfs/dbraw/zinc/76/52/67/732765267.db2.gz IKZKSNSSFVQSHT-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043115584 732765268 /nfs/dbraw/zinc/76/52/68/732765268.db2.gz IKZKSNSSFVQSHT-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001043677310 733054855 /nfs/dbraw/zinc/05/48/55/733054855.db2.gz GJAPEDIXTYJQLQ-CYBMUJFWSA-N 1 3 338.452 -0.888 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001043677327 733055059 /nfs/dbraw/zinc/05/50/59/733055059.db2.gz GQPRRNGJVMSNNO-ZIAGYGMSSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001043677068 733055119 /nfs/dbraw/zinc/05/51/19/733055119.db2.gz FHOROFWHGNVRJI-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001044251152 733340521 /nfs/dbraw/zinc/34/05/21/733340521.db2.gz HCOOWWINEPNEKW-UHFFFAOYSA-N 1 3 337.424 -0.626 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001044302049 733368075 /nfs/dbraw/zinc/36/80/75/733368075.db2.gz FMQVDWGNUYBWNX-UHFFFAOYSA-N 1 3 340.468 -0.641 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001044322983 733381867 /nfs/dbraw/zinc/38/18/67/733381867.db2.gz AOBJADXABRKXPC-CHWSQXEVSA-N 1 3 349.435 -0.710 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001044322983 733381870 /nfs/dbraw/zinc/38/18/70/733381870.db2.gz AOBJADXABRKXPC-CHWSQXEVSA-N 1 3 349.435 -0.710 20 0 EBADHO CN(CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)CC(C)(C)C ZINC001045713548 733757742 /nfs/dbraw/zinc/75/77/42/733757742.db2.gz JWCOBUWIFOSSKN-UHFFFAOYSA-N 1 3 342.484 -0.395 20 0 EBADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047463723 734207676 /nfs/dbraw/zinc/20/76/76/734207676.db2.gz PCWOGKUOEGZMKL-BFKWJSRZSA-N 1 3 335.448 -0.237 20 0 EBADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047463723 734207678 /nfs/dbraw/zinc/20/76/78/734207678.db2.gz PCWOGKUOEGZMKL-BFKWJSRZSA-N 1 3 335.448 -0.237 20 0 EBADHO CN(C(=O)CN1CCCC1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047627887 734289523 /nfs/dbraw/zinc/28/95/23/734289523.db2.gz YGQIANDGOQBWSV-HOTGVXAUSA-N 1 3 335.452 -0.438 20 0 EBADHO CN(C(=O)CN1CCCC1)[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047627887 734289526 /nfs/dbraw/zinc/28/95/26/734289526.db2.gz YGQIANDGOQBWSV-HOTGVXAUSA-N 1 3 335.452 -0.438 20 0 EBADHO 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CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001048874294 734550774 /nfs/dbraw/zinc/55/07/74/734550774.db2.gz WEMYYCYYACBJCT-KKUMJFAQSA-N 1 3 340.468 -0.692 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048943381 734579508 /nfs/dbraw/zinc/57/95/08/734579508.db2.gz BLXRGGWIVYLZDF-OWQJAQGESA-N 1 3 335.448 -0.378 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048943381 734579510 /nfs/dbraw/zinc/57/95/10/734579510.db2.gz BLXRGGWIVYLZDF-OWQJAQGESA-N 1 3 335.448 -0.378 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O)N(C)C ZINC001049027935 734620411 /nfs/dbraw/zinc/62/04/11/734620411.db2.gz ZVBRGNOHKKHKOX-XGUBFFRZSA-N 1 3 340.468 -0.692 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O)N(C)C ZINC001049027935 734620414 /nfs/dbraw/zinc/62/04/14/734620414.db2.gz ZVBRGNOHKKHKOX-XGUBFFRZSA-N 1 3 340.468 -0.692 20 0 EBADHO 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CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435589 734729243 /nfs/dbraw/zinc/72/92/43/734729243.db2.gz PLGGENVRZGSZLD-KBPBESRZSA-N 1 3 328.457 -0.690 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001051348721 735132789 /nfs/dbraw/zinc/13/27/89/735132789.db2.gz JJBWFIWFQAOFJX-MGPQQGTHSA-N 1 3 336.436 -0.144 20 0 EBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054734674 736236178 /nfs/dbraw/zinc/23/61/78/736236178.db2.gz CNKHXIOKAOCIIN-DZGCQCFKSA-N 1 3 337.468 -0.068 20 0 EBADHO CCN(CC)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055955962 736570293 /nfs/dbraw/zinc/57/02/93/736570293.db2.gz ISSQUXHAVMXHNP-QGZVFWFLSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001057632388 737371324 /nfs/dbraw/zinc/37/13/24/737371324.db2.gz NLAZQSKYYGEELD-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001057632388 737371326 /nfs/dbraw/zinc/37/13/26/737371326.db2.gz NLAZQSKYYGEELD-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001057661554 737398471 /nfs/dbraw/zinc/39/84/71/737398471.db2.gz WHGJIZWKTFEXOT-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001057661554 737398474 /nfs/dbraw/zinc/39/84/74/737398474.db2.gz WHGJIZWKTFEXOT-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCCN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057854882 737476188 /nfs/dbraw/zinc/47/61/88/737476188.db2.gz YUNSMJADDPTFGS-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057857670 737477813 /nfs/dbraw/zinc/47/78/13/737477813.db2.gz JIOKOPZLJZBTNK-GJZGRUSLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001057864049 737484884 /nfs/dbraw/zinc/48/48/84/737484884.db2.gz AHVFAVJIRHFYKV-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001057864049 737484885 /nfs/dbraw/zinc/48/48/85/737484885.db2.gz AHVFAVJIRHFYKV-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO CN(C)[C@@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001057876356 737495545 /nfs/dbraw/zinc/49/55/45/737495545.db2.gz HUDZCXXVZFTQCP-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058159562 737682986 /nfs/dbraw/zinc/68/29/86/737682986.db2.gz NVZSXFBOHARPMW-OAHLLOKOSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058159562 737682988 /nfs/dbraw/zinc/68/29/88/737682988.db2.gz NVZSXFBOHARPMW-OAHLLOKOSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252402 737734820 /nfs/dbraw/zinc/73/48/20/737734820.db2.gz IOUUHHOLROTWKZ-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CCC ZINC001058252402 737734823 /nfs/dbraw/zinc/73/48/23/737734823.db2.gz IOUUHHOLROTWKZ-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058815918 738003616 /nfs/dbraw/zinc/00/36/16/738003616.db2.gz AJAAONBBDAWXEL-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC ZINC001058815918 738003618 /nfs/dbraw/zinc/00/36/18/738003618.db2.gz AJAAONBBDAWXEL-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001058816193 738003799 /nfs/dbraw/zinc/00/37/99/738003799.db2.gz MKVRZTPBZIJDSK-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001058816193 738003804 /nfs/dbraw/zinc/00/38/04/738003804.db2.gz MKVRZTPBZIJDSK-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO C[C@H]1CCCN1CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058844067 738023036 /nfs/dbraw/zinc/02/30/36/738023036.db2.gz SEGOPUHRIJTOBH-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065409646 739694109 /nfs/dbraw/zinc/69/41/09/739694109.db2.gz MJLLXTRQQXKPCS-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001065409646 739694110 /nfs/dbraw/zinc/69/41/10/739694110.db2.gz MJLLXTRQQXKPCS-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)O1 ZINC001068624352 740384763 /nfs/dbraw/zinc/38/47/63/740384763.db2.gz LFZDAUILKVFPRK-AWEZNQCLSA-N 1 3 349.435 -0.220 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332454 740788865 /nfs/dbraw/zinc/78/88/65/740788865.db2.gz FIZQWVVWZBISNW-ILXRZTDVSA-N 1 3 336.440 -0.514 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)N(C)C ZINC001070658348 740912364 /nfs/dbraw/zinc/91/23/64/740912364.db2.gz GYLLGBPFGJQSOT-FMKPAKJESA-N 1 3 337.468 -0.117 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)C1 ZINC001071104363 741060695 /nfs/dbraw/zinc/06/06/95/741060695.db2.gz 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Cc1nc(CN[C@H](C)[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC000979446081 805384022 /nfs/dbraw/zinc/38/40/22/805384022.db2.gz JUTIDVVTLZPRQV-OCCSQVGLSA-N 1 3 348.451 -0.086 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)CN1CCCC1 ZINC000989795948 808596410 /nfs/dbraw/zinc/59/64/10/808596410.db2.gz DZMNXSZYKBGJII-QWHCGFSZSA-N 1 3 337.424 -0.787 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC1 ZINC000991573843 809660462 /nfs/dbraw/zinc/66/04/62/809660462.db2.gz PJWUHGIKFOITFJ-CABCVRRESA-N 1 3 349.435 -0.628 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214863792 810286244 /nfs/dbraw/zinc/28/62/44/810286244.db2.gz WQXYYMRERKIWBI-NQBHXWOUSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215456154 810329384 /nfs/dbraw/zinc/32/93/84/810329384.db2.gz PTTBOXNMBSFCQX-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215540654 810334820 /nfs/dbraw/zinc/33/48/20/810334820.db2.gz PEVAWKXHIXVSRM-HZSPNIEDSA-N 1 3 346.497 -0.544 20 0 EBADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401243 810371790 /nfs/dbraw/zinc/37/17/90/810371790.db2.gz ICJCWBNUPPLXIA-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754534 810385338 /nfs/dbraw/zinc/38/53/38/810385338.db2.gz ZRFKBDXEXVSALY-FRRDWIJNSA-N 1 3 339.440 -0.780 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754534 810385340 /nfs/dbraw/zinc/38/53/40/810385340.db2.gz ZRFKBDXEXVSALY-FRRDWIJNSA-N 1 3 339.440 -0.780 20 0 EBADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001216834310 810394294 /nfs/dbraw/zinc/39/42/94/810394294.db2.gz LYOKXHNLMLMBES-CHWSQXEVSA-N 1 3 339.440 -0.506 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216852282 810395715 /nfs/dbraw/zinc/39/57/15/810395715.db2.gz UBMNNBBRFMWEGT-CHWSQXEVSA-N 1 3 334.486 -0.688 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218442318 810492687 /nfs/dbraw/zinc/49/26/87/810492687.db2.gz OXIAPOXHSHOHDQ-KKZNHRDASA-N 1 3 336.392 -0.110 20 0 EBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnn1-c1ccncc1 ZINC001218743654 810526828 /nfs/dbraw/zinc/52/68/28/810526828.db2.gz WCFANNIQTNRGEC-AWEZNQCLSA-N 1 3 329.408 -0.044 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001015655549 810556800 /nfs/dbraw/zinc/55/68/00/810556800.db2.gz SCXQHSQUVMDTEA-CVEARBPZSA-N 1 3 335.452 -0.224 20 0 EBADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C1 ZINC001219640972 810782845 /nfs/dbraw/zinc/78/28/45/810782845.db2.gz DNZYQACDARVQIW-MCIONIFRSA-N 1 3 348.451 -0.324 20 0 EBADHO CS(=O)(=O)c1ccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)nc1 ZINC001219716470 810806402 /nfs/dbraw/zinc/80/64/02/810806402.db2.gz OUYPLOLGPNXRKP-CYBMUJFWSA-N 1 3 326.422 -0.572 20 0 EBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1Cc2cc(O)ccc2CN1 ZINC001219764997 810832325 /nfs/dbraw/zinc/83/23/25/810832325.db2.gz RIWASSDYVVFDLH-PVUWLOKVSA-N 1 3 330.432 -0.184 20 0 EBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1Cc2cc(O)ccc2CN1 ZINC001219764997 810832332 /nfs/dbraw/zinc/83/23/32/810832332.db2.gz RIWASSDYVVFDLH-PVUWLOKVSA-N 1 3 330.432 -0.184 20 0 EBADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1Cc2cc(O)ccc2CN1 ZINC001219764997 810832338 /nfs/dbraw/zinc/83/23/38/810832338.db2.gz RIWASSDYVVFDLH-PVUWLOKVSA-N 1 3 330.432 -0.184 20 0 EBADHO NC1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838632 810870644 /nfs/dbraw/zinc/87/06/44/810870644.db2.gz SKVAYJHSVHEZAL-KBXCAEBGSA-N 1 3 345.443 -0.006 20 0 EBADHO CCOC(=O)c1nnc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)o1 ZINC001220011175 810947246 /nfs/dbraw/zinc/94/72/46/810947246.db2.gz RKOMKFPSSOADCJ-SNVBAGLBSA-N 1 3 337.380 -0.263 20 0 EBADHO CCOC(=O)c1nnc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)o1 ZINC001220011175 810947254 /nfs/dbraw/zinc/94/72/54/810947254.db2.gz RKOMKFPSSOADCJ-SNVBAGLBSA-N 1 3 337.380 -0.263 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC3(CN(CCO)C3)CC2)cn1 ZINC001035814935 811030580 /nfs/dbraw/zinc/03/05/80/811030580.db2.gz VPYPCFLYSICJDO-UHFFFAOYSA-N 1 3 335.452 -0.025 20 0 EBADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220313621 811052043 /nfs/dbraw/zinc/05/20/43/811052043.db2.gz RLAVVYYCITWFBX-VXGBXAGGSA-N 1 3 335.408 -0.609 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCc2ccc(CN)nc21 ZINC001220376979 811079751 /nfs/dbraw/zinc/07/97/51/811079751.db2.gz GFQSRWNYRVHEKO-UHFFFAOYSA-N 1 3 341.437 -0.960 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001036209623 811120255 /nfs/dbraw/zinc/12/02/55/811120255.db2.gz YMYRIUDVRBPTFO-ZFWWWQNUSA-N 1 3 349.435 -0.362 20 0 EBADHO CCOC(=O)C1=C(NC(=O)CN2CCCC[C@H](N)C2=O)CC[NH2+]C1 ZINC001220522671 811139048 /nfs/dbraw/zinc/13/90/48/811139048.db2.gz CUUSLJCAMKONSO-LBPRGKRZSA-N 1 3 338.408 -0.747 20 0 EBADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220567805 811158117 /nfs/dbraw/zinc/15/81/17/811158117.db2.gz MUYCZOCSRRDVSM-QWHCGFSZSA-N 1 3 340.449 -0.309 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743776 811224446 /nfs/dbraw/zinc/22/44/46/811224446.db2.gz PFNBWZXCXCNJGO-CQSZACIVSA-N 1 3 334.424 -0.058 20 0 EBADHO CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220766061 811233446 /nfs/dbraw/zinc/23/34/46/811233446.db2.gz KZYGKTPPBRSVMR-IGQOVBAYSA-N 1 3 340.468 -0.291 20 0 EBADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2COC3(CNC3)CN2)cc1 ZINC001220903135 811288696 /nfs/dbraw/zinc/28/86/96/811288696.db2.gz MOVFLKHXVDZTSC-INIZCTEOSA-N 1 3 332.448 -0.133 20 0 EBADHO O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220929491 811298362 /nfs/dbraw/zinc/29/83/62/811298362.db2.gz AJCJJIXTSLMODL-AWEZNQCLSA-N 1 3 330.436 -0.382 20 0 EBADHO CCCC(C[NH3+])(CCC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001221374367 811447602 /nfs/dbraw/zinc/44/76/02/811447602.db2.gz HNRGJQCAHDDBHU-QWRGUYRKSA-N 1 3 329.445 -0.892 20 0 EBADHO COC[C@H](C)OC[C@H](O)CN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999748 812008496 /nfs/dbraw/zinc/00/84/96/812008496.db2.gz VGRKJBAXBCRCST-GOEBONIOSA-N 1 3 345.484 -0.069 20 0 EBADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-c2nnn[n-]2)cc1 ZINC001236310043 812516661 /nfs/dbraw/zinc/51/66/61/812516661.db2.gz UUZIKHQNWMJCKG-UHFFFAOYSA-N 1 3 346.439 -0.518 20 0 EBADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-c2nn[n-]n2)cc1 ZINC001236310043 812516664 /nfs/dbraw/zinc/51/66/64/812516664.db2.gz UUZIKHQNWMJCKG-UHFFFAOYSA-N 1 3 346.439 -0.518 20 0 EBADHO Cc1ncc(CO)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1[O-] ZINC001236310192 812516882 /nfs/dbraw/zinc/51/68/82/812516882.db2.gz FAHGNONYFYUBJM-UHFFFAOYSA-N 1 3 339.440 -0.796 20 0 EBADHO O=S(=O)(CC1CC[NH2+]CC1)NCc1ncn2c1CNCCC2 ZINC001238527604 812529010 /nfs/dbraw/zinc/52/90/10/812529010.db2.gz LBTQDBCMVANGHU-UHFFFAOYSA-N 1 3 327.454 -0.205 20 0 EBADHO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1 ZINC001238879391 812535005 /nfs/dbraw/zinc/53/50/05/812535005.db2.gz RBBBAKMHGBYCDW-UHFFFAOYSA-N 1 3 349.478 -0.303 20 0 EBADHO COC(=O)c1ccc([C@H](N)CNS(=O)(=O)[C@H]2CC[NH2+]C2)cc1 ZINC001238919187 812535558 /nfs/dbraw/zinc/53/55/58/812535558.db2.gz JAQVEWALRFDAAL-QWHCGFSZSA-N 1 3 327.406 -0.246 20 0 EBADHO O[C@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COCC(F)(F)C(F)F ZINC001245971077 812557250 /nfs/dbraw/zinc/55/72/50/812557250.db2.gz DTZSTVVBXLQARZ-WCABBAIRSA-N 1 3 336.301 -0.084 20 0 EBADHO COC(=O)[C@@H](N)CC[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246006030 812558417 /nfs/dbraw/zinc/55/84/17/812558417.db2.gz SQYZLHYLVCSSGR-MELADBBJSA-N 1 3 331.363 -0.325 20 0 EBADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCOC[C@@]2(CNCCO2)C1 ZINC001246026835 812559694 /nfs/dbraw/zinc/55/96/94/812559694.db2.gz FHNNYDFWNAOODR-RCCFBDPRSA-N 1 3 335.448 -0.392 20 0 EBADHO COC(=O)[C@H](N)[C@@H]1CCCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057298 812562521 /nfs/dbraw/zinc/56/25/21/812562521.db2.gz YLNIILSIVONLTG-HZSPNIEDSA-N 1 3 329.441 -0.936 20 0 EBADHO C(c1noc2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCOCC1 ZINC001246712844 812583237 /nfs/dbraw/zinc/58/32/37/812583237.db2.gz DGROKDGNSVLNJL-CQSZACIVSA-N 1 3 347.463 -0.041 20 0 EBADHO O=C([C@@H]1C[C@@H](N2CC[C@]3(C2)CNCCO3)C[NH2+]1)N1CCSC1 ZINC001246985995 812594282 /nfs/dbraw/zinc/59/42/82/812594282.db2.gz JEKWKJILMUUAGC-VNHYZAJKSA-N 1 3 326.466 -0.686 20 0 EBADHO CCOC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009133 812595767 /nfs/dbraw/zinc/59/57/67/812595767.db2.gz OKVBOZCVTCIRHU-RDBSUJKOSA-N 1 3 339.436 -0.245 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C1CC2(C1)CC[NH2+]CC2)O3 ZINC001247012446 812596205 /nfs/dbraw/zinc/59/62/05/812596205.db2.gz TWGBYCOIAMQRKF-IPYPFGDCSA-N 1 3 327.450 -0.337 20 0 EBADHO O[C@@H](C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1)CN1CCOCC1 ZINC001251041837 812620106 /nfs/dbraw/zinc/62/01/06/812620106.db2.gz OSHGRDBYTZOIQJ-ULQDDVLXSA-N 1 3 327.469 -0.088 20 0 EBADHO COC[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261320816 812890636 /nfs/dbraw/zinc/89/06/36/812890636.db2.gz MHPNBZCTRBBWTQ-QGZVFWFLSA-N 1 3 342.484 -0.177 20 0 EBADHO CN1CCN(CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001261643767 812958296 /nfs/dbraw/zinc/95/82/96/812958296.db2.gz FQCCHNFXYWWYDB-HNNXBMFYSA-N 1 3 349.483 -0.040 20 0 EBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001263864037 813130912 /nfs/dbraw/zinc/13/09/12/813130912.db2.gz LVGYUKVEHARGHZ-YRGRVCCFSA-N 1 3 336.436 -0.240 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001263880769 813132697 /nfs/dbraw/zinc/13/26/97/813132697.db2.gz ZCEAJANFVBIMAQ-HDJSIYSDSA-N 1 3 338.452 -0.040 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCCN1CCN(CCO)CC1 ZINC001265254738 813278005 /nfs/dbraw/zinc/27/80/05/813278005.db2.gz YDTADMHCDJYASQ-UHFFFAOYSA-N 1 3 326.485 -0.021 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001081634318 813333757 /nfs/dbraw/zinc/33/37/57/813333757.db2.gz GAWFSCLQELLFEU-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001081634318 813333764 /nfs/dbraw/zinc/33/37/64/813333764.db2.gz GAWFSCLQELLFEU-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081634852 813337747 /nfs/dbraw/zinc/33/77/47/813337747.db2.gz NFBXJLPXQMEFIV-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001265789048 813371897 /nfs/dbraw/zinc/37/18/97/813371897.db2.gz YREZSGAJDAHSFO-DOMZBBRYSA-N 1 3 326.441 -0.184 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001265881320 813401950 /nfs/dbraw/zinc/40/19/50/813401950.db2.gz HWDAXDHCPIXEQX-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@H](C)C(=O)NC(=O)NC ZINC001266108805 813458148 /nfs/dbraw/zinc/45/81/48/813458148.db2.gz GWTBTWSEGAAXND-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@H](C)C(=O)NC(=O)NC ZINC001266108805 813458153 /nfs/dbraw/zinc/45/81/53/813458153.db2.gz GWTBTWSEGAAXND-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411618 813560857 /nfs/dbraw/zinc/56/08/57/813560857.db2.gz APYJCRBBFWWSIT-OLZOCXBDSA-N 1 3 336.436 -0.240 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001266547221 813604767 /nfs/dbraw/zinc/60/47/67/813604767.db2.gz LZNLLZKHICWWGI-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266634789 813628098 /nfs/dbraw/zinc/62/80/98/813628098.db2.gz FWGLRVCPNQUCQQ-HAQNSBGRSA-N 1 3 325.413 -0.883 20 0 EBADHO CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@H]1CCCN1C ZINC001266660115 813633491 /nfs/dbraw/zinc/63/34/91/813633491.db2.gz KEWFVEHKIDYJKD-GDBMZVCRSA-N 1 3 343.468 -0.315 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267070360 813751361 /nfs/dbraw/zinc/75/13/61/813751361.db2.gz LMODVSVDKGPBQZ-AWEZNQCLSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082557600 813967739 /nfs/dbraw/zinc/96/77/39/813967739.db2.gz RYSBBKPKBSOHTM-JHJVBQTASA-N 1 3 336.436 -0.288 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082740867 814003622 /nfs/dbraw/zinc/00/36/22/814003622.db2.gz INWIVUSCUYYAIX-RBSFLKMASA-N 1 3 337.468 -0.068 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001267968705 814079831 /nfs/dbraw/zinc/07/98/31/814079831.db2.gz AXXSAKNFFWBARK-ZIAGYGMSSA-N 1 3 348.513 -0.298 20 0 EBADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001270021807 815664431 /nfs/dbraw/zinc/66/44/31/815664431.db2.gz INVHLLSEKLNVHL-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001270136339 815698284 /nfs/dbraw/zinc/69/82/84/815698284.db2.gz HTSARZWLUDQEPV-CYBMUJFWSA-N 1 3 348.407 -0.525 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001270165306 815705936 /nfs/dbraw/zinc/70/59/36/815705936.db2.gz KUORALCDBWUXIG-CHWSQXEVSA-N 1 3 339.440 -0.541 20 0 EBADHO C[C@H](NC[C@H]1CCCN1C(=O)CCCC[NH+](C)C)C(=O)NC(N)=O ZINC001270293199 815743708 /nfs/dbraw/zinc/74/37/08/815743708.db2.gz KJFUWHQGQXYKLL-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001270315787 815749727 /nfs/dbraw/zinc/74/97/27/815749727.db2.gz HOKLKAKOGLFKEK-CYBMUJFWSA-N 1 3 339.440 -0.541 20 0 EBADHO CC(C)[C@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)N(C)C ZINC001270955561 815938871 /nfs/dbraw/zinc/93/88/71/815938871.db2.gz YIGFPVPTBFRJDU-OAHLLOKOSA-N 1 3 340.468 -0.426 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001272294789 816388788 /nfs/dbraw/zinc/38/87/88/816388788.db2.gz CYPDCQVXIMIBLG-ZIAGYGMSSA-N 1 3 328.457 -0.737 20 0 EBADHO CN(CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001086982403 816433284 /nfs/dbraw/zinc/43/32/84/816433284.db2.gz HIRNDRJACPECCZ-JKSUJKDBSA-N 1 3 335.452 -0.219 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001087256745 816487191 /nfs/dbraw/zinc/48/71/91/816487191.db2.gz IVGVGXILHOPEKC-UHFFFAOYSA-N 1 3 347.423 -0.020 20 0 EBADHO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CN(C)C1CCC1 ZINC001272832219 816532478 /nfs/dbraw/zinc/53/24/78/816532478.db2.gz YMNMNJQUKNFJJV-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001274026574 816842928 /nfs/dbraw/zinc/84/29/28/816842928.db2.gz RKFGXFCGHGUDNC-WWKJKZQJSA-N 1 3 339.440 -0.295 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001274026574 816842933 /nfs/dbraw/zinc/84/29/33/816842933.db2.gz RKFGXFCGHGUDNC-WWKJKZQJSA-N 1 3 339.440 -0.295 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C/CN[C@H]2CCCNC2=O)n1 ZINC001274034901 816844540 /nfs/dbraw/zinc/84/45/40/816844540.db2.gz IZIIZCHZEIMEIS-XGACYXMMSA-N 1 3 348.451 -0.401 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001274278410 816918245 /nfs/dbraw/zinc/91/82/45/816918245.db2.gz AFFOISLIUGBVMV-OLZOCXBDSA-N 1 3 334.486 -0.686 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001274590443 817025143 /nfs/dbraw/zinc/02/51/43/817025143.db2.gz ZEZXQGHOULQZOW-UHFFFAOYSA-N 1 3 338.456 -0.439 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940289 817660167 /nfs/dbraw/zinc/66/01/67/817660167.db2.gz GYXMYGHCKJZBGB-ZIAGYGMSSA-N 1 3 346.497 -0.542 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001277979730 817667742 /nfs/dbraw/zinc/66/77/42/817667742.db2.gz AXXSAKNFFWBARK-KBPBESRZSA-N 1 3 348.513 -0.298 20 0 EBADHO O=C(NC[C@@H](CO)NCCO[C@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178162 817718652 /nfs/dbraw/zinc/71/86/52/817718652.db2.gz CJHCMTIESLXCEY-RYUDHWBXSA-N 1 3 333.379 -0.427 20 0 EBADHO C[C@@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416513 817758599 /nfs/dbraw/zinc/75/85/99/817758599.db2.gz NOFNRQCUCGLXRZ-OLZOCXBDSA-N 1 3 344.481 -0.790 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001278582729 817783424 /nfs/dbraw/zinc/78/34/24/817783424.db2.gz OWZILTPPUFPOJS-CXAGYDPISA-N 1 3 338.452 -0.040 20 0 EBADHO CN(C[C@H](O)CNCCS(C)(=O)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278789764 817831257 /nfs/dbraw/zinc/83/12/57/817831257.db2.gz ACPKXUWTTJCALJ-CYBMUJFWSA-N 1 3 349.497 -0.686 20 0 EBADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCOCCO)C2)CCC1 ZINC001278787975 817832077 /nfs/dbraw/zinc/83/20/77/817832077.db2.gz YOXCUTRMJYMNKO-OAHLLOKOSA-N 1 3 329.441 -0.967 20 0 EBADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCOCCO)C2)CCC1 ZINC001278787975 817832084 /nfs/dbraw/zinc/83/20/84/817832084.db2.gz YOXCUTRMJYMNKO-OAHLLOKOSA-N 1 3 329.441 -0.967 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCOCCN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001279409383 817927233 /nfs/dbraw/zinc/92/72/33/817927233.db2.gz VVFFNIWFMIDDOM-MGPQQGTHSA-N 1 3 326.441 -0.720 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCOCCN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001279409383 817927237 /nfs/dbraw/zinc/92/72/37/817927237.db2.gz VVFFNIWFMIDDOM-MGPQQGTHSA-N 1 3 326.441 -0.720 20 0 EBADHO CN(CCOCCN[C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001279436348 817931069 /nfs/dbraw/zinc/93/10/69/817931069.db2.gz CZXFDDOVIAENOP-AWEZNQCLSA-N 1 3 326.441 -0.719 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001280207139 818025599 /nfs/dbraw/zinc/02/55/99/818025599.db2.gz GIEZLJLWVHAWPA-ZDUSSCGKSA-N 1 3 334.424 -0.194 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCCNS(C)(=O)=O)CC[N@@H+]1C ZINC001283613396 818880935 /nfs/dbraw/zinc/88/09/35/818880935.db2.gz WUQPJDMLDFTGEL-MELADBBJSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCCNS(C)(=O)=O)CC[N@H+]1C ZINC001283613396 818880943 /nfs/dbraw/zinc/88/09/43/818880943.db2.gz WUQPJDMLDFTGEL-MELADBBJSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001283875033 819012526 /nfs/dbraw/zinc/01/25/26/819012526.db2.gz KCHKEKBRWGBSSG-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098478741 819209035 /nfs/dbraw/zinc/20/90/35/819209035.db2.gz BKUWQJTYIGSVEC-UHFFFAOYSA-N 1 3 327.469 -0.004 20 0 EBADHO CNC(=O)[C@H](C)NCCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284869641 819380864 /nfs/dbraw/zinc/38/08/64/819380864.db2.gz YYHAXOMOGPRYGT-ZFWWWQNUSA-N 1 3 340.468 -0.473 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001284877057 819386636 /nfs/dbraw/zinc/38/66/36/819386636.db2.gz SNIXTKFWKNJKIO-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001284877057 819386644 /nfs/dbraw/zinc/38/66/44/819386644.db2.gz SNIXTKFWKNJKIO-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)CCOCC[NH2+][C@@H]1CCNC1=O ZINC001284878789 819387049 /nfs/dbraw/zinc/38/70/49/819387049.db2.gz VGUSKVADZBQXDJ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CS(=O)(=O)CCNC1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100335172 820364782 /nfs/dbraw/zinc/36/47/82/820364782.db2.gz MZFYHRHLPFZAHZ-ZALBZXLWSA-N 1 3 343.493 -0.143 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100378305 820385445 /nfs/dbraw/zinc/38/54/45/820385445.db2.gz VNDKCTNYUCCFHL-HTAVTVPLSA-N 1 3 345.419 -0.654 20 0 EBADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001100407873 820406973 /nfs/dbraw/zinc/40/69/73/820406973.db2.gz MXYZJIAUAOXIRR-UBHUBRDASA-N 1 3 346.497 -0.640 20 0 EBADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC001100407747 820407114 /nfs/dbraw/zinc/40/71/14/820407114.db2.gz IDSGCUKKZHUEAB-PESDSKBTSA-N 1 3 337.468 -0.164 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001100442395 820423377 /nfs/dbraw/zinc/42/33/77/820423377.db2.gz FKUPDEVDBPOQHA-YMAMQOFZSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+](C)CCC(=O)NCC1CC(NCC(=O)Nc2cnccn2)C1 ZINC001100636914 820496443 /nfs/dbraw/zinc/49/64/43/820496443.db2.gz RBISYBLAXMHZAX-UHFFFAOYSA-N 1 3 334.424 -0.149 20 0 EBADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001100647496 820499177 /nfs/dbraw/zinc/49/91/77/820499177.db2.gz YNPVQNWSUROLOJ-JXQTWKCFSA-N 1 3 348.513 -0.394 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001100770349 820546849 /nfs/dbraw/zinc/54/68/49/820546849.db2.gz CHIYKBYKLYOFLI-PNESKVBLSA-N 1 3 341.456 -0.343 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100901921 820594058 /nfs/dbraw/zinc/59/40/58/820594058.db2.gz VLTOEAWZUIZIIV-UHFFFAOYSA-N 1 3 327.429 -0.732 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001101038002 820661099 /nfs/dbraw/zinc/66/10/99/820661099.db2.gz ZCEAJANFVBIMAQ-UHFFFAOYSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398108 821306649 /nfs/dbraw/zinc/30/66/49/821306649.db2.gz CWHAZFPXDQKDND-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO CCN(CC)CC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105483920 821760991 /nfs/dbraw/zinc/76/09/91/821760991.db2.gz NMXCHWOEFIEAOV-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001317067027 821991633 /nfs/dbraw/zinc/99/16/33/821991633.db2.gz KHDCAOGZBXAIQN-STQMWFEESA-N 1 3 339.440 -0.541 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001317289040 822066217 /nfs/dbraw/zinc/06/62/17/822066217.db2.gz HWDAXDHCPIXEQX-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405722 822102048 /nfs/dbraw/zinc/10/20/48/822102048.db2.gz JPZBUKNPCVCNGI-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001317532819 822146825 /nfs/dbraw/zinc/14/68/25/822146825.db2.gz OSTOJNNBJNCLCU-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001317532819 822146831 /nfs/dbraw/zinc/14/68/31/822146831.db2.gz OSTOJNNBJNCLCU-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)NC(N)=O ZINC001317683784 822200940 /nfs/dbraw/zinc/20/09/40/822200940.db2.gz VHTRAIKWMMLAGS-LBPRGKRZSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)NC(N)=O ZINC001317683784 822200947 /nfs/dbraw/zinc/20/09/47/822200947.db2.gz VHTRAIKWMMLAGS-LBPRGKRZSA-N 1 3 327.429 -0.508 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001128539490 828472163 /nfs/dbraw/zinc/47/21/63/828472163.db2.gz FSBJBXSVXOMLAH-GFCCVEGCSA-N 1 3 325.450 -0.193 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128545186 828472800 /nfs/dbraw/zinc/47/28/00/828472800.db2.gz VRJUVEVINDWJTB-MNOVXSKESA-N 1 3 333.408 -0.784 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001128552670 828474056 /nfs/dbraw/zinc/47/40/56/828474056.db2.gz RRPBPYUVMYTRQF-KGLIPLIRSA-N 1 3 348.463 -0.087 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001128779145 828525910 /nfs/dbraw/zinc/52/59/10/828525910.db2.gz PLPUPHPEBJWWJC-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001128779145 828525915 /nfs/dbraw/zinc/52/59/15/828525915.db2.gz PLPUPHPEBJWWJC-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356208 828604664 /nfs/dbraw/zinc/60/46/64/828604664.db2.gz DMSCSTKAQBBGMJ-UHFFFAOYSA-N 1 3 334.486 -0.494 20 0 EBADHO CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364194 828606388 /nfs/dbraw/zinc/60/63/88/828606388.db2.gz RDZMFNCOWGXXKU-CQSZACIVSA-N 1 3 326.441 -0.528 20 0 EBADHO CCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364194 828606392 /nfs/dbraw/zinc/60/63/92/828606392.db2.gz RDZMFNCOWGXXKU-CQSZACIVSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129416168 828616525 /nfs/dbraw/zinc/61/65/25/828616525.db2.gz FPBLKCOZQURXBK-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129416168 828616526 /nfs/dbraw/zinc/61/65/26/828616526.db2.gz FPBLKCOZQURXBK-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444775 828619781 /nfs/dbraw/zinc/61/97/81/828619781.db2.gz XQBLMEXPKQQDGB-OCCSQVGLSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC001129456001 828622779 /nfs/dbraw/zinc/62/27/79/828622779.db2.gz ZRLYHLNGFCPNGF-GFCCVEGCSA-N 1 3 339.440 -0.637 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894306 828689387 /nfs/dbraw/zinc/68/93/87/828689387.db2.gz AAMQHALIKVTFLA-CABCVRRESA-N 1 3 336.440 -0.250 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130047808 828722191 /nfs/dbraw/zinc/72/21/91/828722191.db2.gz URBLSCSGEZOUCI-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112194243 825400594 /nfs/dbraw/zinc/40/05/94/825400594.db2.gz UUFNKWLSMYFRHM-GHMZBOCLSA-N 1 3 327.347 -0.464 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179924910 833026485 /nfs/dbraw/zinc/02/64/85/833026485.db2.gz GQKMTVOCCGMZJW-IHRRRGAJSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001179924910 833026491 /nfs/dbraw/zinc/02/64/91/833026491.db2.gz GQKMTVOCCGMZJW-IHRRRGAJSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)CN1CCCC1 ZINC001180135108 833045237 /nfs/dbraw/zinc/04/52/37/833045237.db2.gz APDPEMMANPILLB-KBPBESRZSA-N 1 3 346.497 -0.447 20 0 EBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(=O)NC(N)=O ZINC001180131375 833045289 /nfs/dbraw/zinc/04/52/89/833045289.db2.gz AWTWMPUEHQHNQA-WOPDTQHZSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001180226828 833060210 /nfs/dbraw/zinc/06/02/10/833060210.db2.gz OMASCRSOTYYCHB-KBPBESRZSA-N 1 3 325.457 -0.069 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115300266 826502443 /nfs/dbraw/zinc/50/24/43/826502443.db2.gz OMOOULZYTLMSEB-AIANPOQGSA-N 1 3 335.452 -0.369 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115300266 826502446 /nfs/dbraw/zinc/50/24/46/826502446.db2.gz OMOOULZYTLMSEB-AIANPOQGSA-N 1 3 335.452 -0.369 20 0 EBADHO C[C@H](C(=O)NCC(C)(C)N1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC001116065341 826597672 /nfs/dbraw/zinc/59/76/72/826597672.db2.gz OMFZKOAGLVGOAG-OAHLLOKOSA-N 1 3 325.501 -0.236 20 0 EBADHO CN(C)C[C@H]1COCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610556 833096843 /nfs/dbraw/zinc/09/68/43/833096843.db2.gz LFONVPIHROIBBK-AWEZNQCLSA-N 1 3 326.441 -0.637 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001119065946 827053876 /nfs/dbraw/zinc/05/38/76/827053876.db2.gz FHCDKWPXHXPPDW-KKOKHZNYSA-N 1 3 348.369 -0.256 20 0 EBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)C[C@H]2C1 ZINC001120434963 827220133 /nfs/dbraw/zinc/22/01/33/827220133.db2.gz VBUNUSQXTGNMDQ-TUVASFSCSA-N 1 3 338.452 -0.720 20 0 EBADHO CCN1CCN(CCC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC001120570589 827246493 /nfs/dbraw/zinc/24/64/93/827246493.db2.gz ULIALNKIPVLVQA-QGZVFWFLSA-N 1 3 327.517 -0.788 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676371 833252390 /nfs/dbraw/zinc/25/23/90/833252390.db2.gz JVWJRWHKNJKLOV-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676371 833252394 /nfs/dbraw/zinc/25/23/94/833252394.db2.gz JVWJRWHKNJKLOV-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240495 833284716 /nfs/dbraw/zinc/28/47/16/833284716.db2.gz HXZBCUVGUAINEN-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001127066741 828247244 /nfs/dbraw/zinc/24/72/44/828247244.db2.gz RSXHURWPWYSUGH-HUUCEWRRSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001127066741 828247246 /nfs/dbraw/zinc/24/72/46/828247246.db2.gz RSXHURWPWYSUGH-HUUCEWRRSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)(C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001127327881 828279871 /nfs/dbraw/zinc/27/98/71/828279871.db2.gz ZNTZEJFNPLRVSX-UHFFFAOYSA-N 1 3 334.486 -0.494 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cccnc1 ZINC001127473695 828297016 /nfs/dbraw/zinc/29/70/16/828297016.db2.gz CNYMOZHMENRMTN-MRXNPFEDSA-N 1 3 345.447 -0.255 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccco1 ZINC001127475149 828297361 /nfs/dbraw/zinc/29/73/61/828297361.db2.gz ROYNYYZJFFZWFI-HNNXBMFYSA-N 1 3 334.420 -0.057 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001127479642 828297988 /nfs/dbraw/zinc/29/79/88/828297988.db2.gz DDOYXPYHSHDKPS-UKRRQHHQSA-N 1 3 338.452 -0.719 20 0 EBADHO CCCC[C@@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127562048 828303109 /nfs/dbraw/zinc/30/31/09/828303109.db2.gz AGFBIUCZMHINLI-CYBMUJFWSA-N 1 3 338.456 -0.192 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778892 828326806 /nfs/dbraw/zinc/32/68/06/828326806.db2.gz HSGVOEBHSFSGSR-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778892 828326816 /nfs/dbraw/zinc/32/68/16/828326816.db2.gz HSGVOEBHSFSGSR-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184432898 833330027 /nfs/dbraw/zinc/33/00/27/833330027.db2.gz ANNYWWHKEQCUQL-WCCAFZKYSA-N 1 3 339.436 -0.953 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130708853 828919376 /nfs/dbraw/zinc/91/93/76/828919376.db2.gz KLDQUXDSUNKFNQ-RYUDHWBXSA-N 1 3 327.429 -0.604 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130708853 828919383 /nfs/dbraw/zinc/91/93/83/828919383.db2.gz KLDQUXDSUNKFNQ-RYUDHWBXSA-N 1 3 327.429 -0.604 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185203732 833349747 /nfs/dbraw/zinc/34/97/47/833349747.db2.gz GOBIEFSNCKOWHW-WDEREUQCSA-N 1 3 336.396 -0.779 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC1 ZINC001185213842 833350181 /nfs/dbraw/zinc/35/01/81/833350181.db2.gz NLMQJQWQKBHFJK-GFCCVEGCSA-N 1 3 332.470 -0.932 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384991 833357168 /nfs/dbraw/zinc/35/71/68/833357168.db2.gz JKESJDJCUIYPKT-WCQYABFASA-N 1 3 339.440 -0.637 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001185408681 833358076 /nfs/dbraw/zinc/35/80/76/833358076.db2.gz VUBSMBBJOSYEOP-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001131519673 829150680 /nfs/dbraw/zinc/15/06/80/829150680.db2.gz IVKPTIKUYBZVGT-YXXKGXSTSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@@H](NCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519673 829150685 /nfs/dbraw/zinc/15/06/85/829150685.db2.gz IVKPTIKUYBZVGT-YXXKGXSTSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@@H](NCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519673 829150692 /nfs/dbraw/zinc/15/06/92/829150692.db2.gz IVKPTIKUYBZVGT-YXXKGXSTSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001131519666 829151197 /nfs/dbraw/zinc/15/11/97/829151197.db2.gz IVKPTIKUYBZVGT-CWVKQELPSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@H](NCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519666 829151199 /nfs/dbraw/zinc/15/11/99/829151199.db2.gz IVKPTIKUYBZVGT-CWVKQELPSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@H](NCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519666 829151201 /nfs/dbraw/zinc/15/12/01/829151201.db2.gz IVKPTIKUYBZVGT-CWVKQELPSA-N 1 3 336.436 -0.824 20 0 EBADHO COCCOCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519903 829152258 /nfs/dbraw/zinc/15/22/58/829152258.db2.gz NHKRWGNDAKAICX-BBBYJDLNSA-N 1 3 327.425 -0.782 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525600 829154069 /nfs/dbraw/zinc/15/40/69/829154069.db2.gz BFHIBQQRYBTHCI-UIORMTCPSA-N 1 3 338.452 -0.530 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525600 829154074 /nfs/dbraw/zinc/15/40/74/829154074.db2.gz BFHIBQQRYBTHCI-UIORMTCPSA-N 1 3 338.452 -0.530 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790563 829217727 /nfs/dbraw/zinc/21/77/27/829217727.db2.gz PIWMTDYODRVTIU-AWEZNQCLSA-N 1 3 346.497 -0.494 20 0 EBADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CS(C)(=O)=O ZINC001185926561 833378495 /nfs/dbraw/zinc/37/84/95/833378495.db2.gz XEFBKVBYANRXDZ-VXGBXAGGSA-N 1 3 328.438 -0.177 20 0 EBADHO CN(CCNCCNC(=O)CC1([NH+](C)C)CCCC1)S(C)(=O)=O ZINC001131840944 829242715 /nfs/dbraw/zinc/24/27/15/829242715.db2.gz XMLICTUTUSWOLS-UHFFFAOYSA-N 1 3 348.513 -0.152 20 0 EBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234509 833393150 /nfs/dbraw/zinc/39/31/50/833393150.db2.gz IHKYIIJWCJHLLK-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186529745 833404574 /nfs/dbraw/zinc/40/45/74/833404574.db2.gz ATQVZSRGEZHCKY-AWEZNQCLSA-N 1 3 340.468 -0.342 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC1 ZINC001186615815 833408784 /nfs/dbraw/zinc/40/87/84/833408784.db2.gz KAZHGAYMBUOIOA-CQSZACIVSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC001132995591 829568489 /nfs/dbraw/zinc/56/84/89/829568489.db2.gz ZUKWUHYRZOVUGJ-OKILXGFUSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001133285904 829614895 /nfs/dbraw/zinc/61/48/95/829614895.db2.gz NSFLSPRFWIXZGU-OKILXGFUSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291069 829615817 /nfs/dbraw/zinc/61/58/17/829615817.db2.gz JGYWHFIRUMCLBC-GFCCVEGCSA-N 1 3 329.445 -0.486 20 0 EBADHO COc1ccccc1CNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291283 829616892 /nfs/dbraw/zinc/61/68/92/829616892.db2.gz NTYOHNMNHWOAFF-UHFFFAOYSA-N 1 3 336.436 -0.031 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)NCc1ccccc1 ZINC001133297375 829618028 /nfs/dbraw/zinc/61/80/28/829618028.db2.gz MBILTXMFEMYNBK-UHFFFAOYSA-N 1 3 349.435 -0.330 20 0 EBADHO CC[C@H](C(=O)NCCNCC(=O)N1CCOCC1)[NH+](CC)CC ZINC001133684809 829660924 /nfs/dbraw/zinc/66/09/24/829660924.db2.gz MUYYHMBTWQPSGK-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133823785 829679447 /nfs/dbraw/zinc/67/94/47/829679447.db2.gz ONPAHACQAUFZAB-CQSZACIVSA-N 1 3 349.497 -0.372 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001133845371 829684754 /nfs/dbraw/zinc/68/47/54/829684754.db2.gz CZBAOYSRKJXYCF-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO C[C@@H](COCC(=O)NCCNCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001134054241 829718435 /nfs/dbraw/zinc/71/84/35/829718435.db2.gz BRCFQCCQMCDXKN-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCNS(C)(=O)=O ZINC001134582909 829797205 /nfs/dbraw/zinc/79/72/05/829797205.db2.gz BIJJQZFJTATMNK-OLZOCXBDSA-N 1 3 348.513 -0.107 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134766703 829841786 /nfs/dbraw/zinc/84/17/86/829841786.db2.gz LKBOLEIGAUHRLW-CVEARBPZSA-N 1 3 345.484 -0.021 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001134780811 829844649 /nfs/dbraw/zinc/84/46/49/829844649.db2.gz XHABYXVYEZAJOZ-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103037 829898055 /nfs/dbraw/zinc/89/80/55/829898055.db2.gz SOADOFCQOCYIHF-UONOGXRCSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103037 829898059 /nfs/dbraw/zinc/89/80/59/829898059.db2.gz SOADOFCQOCYIHF-UONOGXRCSA-N 1 3 346.497 -0.352 20 0 EBADHO C[C@@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC1CC1 ZINC001135118452 829900049 /nfs/dbraw/zinc/90/00/49/829900049.db2.gz NQIYUZHHHJMEBR-GFCCVEGCSA-N 1 3 336.440 -0.569 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)NCCNCC(=O)NCC2CC2)cn1 ZINC001135115216 829900272 /nfs/dbraw/zinc/90/02/72/829900272.db2.gz XZLNXGJMIJCPBM-UHFFFAOYSA-N 1 3 336.440 -0.710 20 0 EBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114825 829900424 /nfs/dbraw/zinc/90/04/24/829900424.db2.gz PHLBYKGHYGKWQU-CYBMUJFWSA-N 1 3 338.456 -0.321 20 0 EBADHO C[NH+](C)Cc1ccc(C(=O)NCCNCC(=O)N2CCOCC2)cc1 ZINC001135340565 829948002 /nfs/dbraw/zinc/94/80/02/829948002.db2.gz CVWPACCNVIHWFL-UHFFFAOYSA-N 1 3 348.447 -0.074 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCNCCNS(C)(=O)=O)C(C)C ZINC001135474382 829973190 /nfs/dbraw/zinc/97/31/90/829973190.db2.gz OTYKYPXEBGGWQF-ZDUSSCGKSA-N 1 3 336.502 -0.392 20 0 EBADHO CC[C@H](C)NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959018 830052465 /nfs/dbraw/zinc/05/24/65/830052465.db2.gz IZRRISYORGXSGB-ZDUSSCGKSA-N 1 3 328.457 -0.282 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979939 830056816 /nfs/dbraw/zinc/05/68/16/830056816.db2.gz KHXAFDRFKIFOSX-NWDGAFQWSA-N 1 3 329.445 -0.343 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286143 837421288 /nfs/dbraw/zinc/42/12/88/837421288.db2.gz TYMBHHTYJWWBNC-JKSUJKDBSA-N 1 3 345.484 -0.069 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCOCCO)C3)CC[N@@H+]1C ZINC001147583232 830366823 /nfs/dbraw/zinc/36/68/23/830366823.db2.gz OXPGEQGMQUGZIA-HUUCEWRRSA-N 1 3 325.453 -0.130 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCOCCO)C3)CC[N@H+]1C ZINC001147583232 830366831 /nfs/dbraw/zinc/36/68/31/830366831.db2.gz OXPGEQGMQUGZIA-HUUCEWRRSA-N 1 3 325.453 -0.130 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)S(C)(=O)=O ZINC001147825106 830417026 /nfs/dbraw/zinc/41/70/26/830417026.db2.gz OKISNIZQAXEKTQ-KGLIPLIRSA-N 1 3 348.513 -0.296 20 0 EBADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1 ZINC001147842125 830418679 /nfs/dbraw/zinc/41/86/79/830418679.db2.gz OBUKTDDYKVCAEO-CQSZACIVSA-N 1 3 328.457 -0.471 20 0 EBADHO CC1CCN(C(=O)CNCCNC(=O)COCC[NH+](C)C)CC1 ZINC001147842349 830419709 /nfs/dbraw/zinc/41/97/09/830419709.db2.gz TYARJNYPPBTUNX-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCCC(C)(C)C ZINC001147848856 830421203 /nfs/dbraw/zinc/42/12/03/830421203.db2.gz XQSFUDHWNNJJPK-UHFFFAOYSA-N 1 3 330.473 -0.177 20 0 EBADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)N1CCCCC1 ZINC001147893818 830427060 /nfs/dbraw/zinc/42/70/60/830427060.db2.gz UOTPZZRSZQEPSW-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893967 830427381 /nfs/dbraw/zinc/42/73/81/830427381.db2.gz WFBSOUICKPCIIE-AWEZNQCLSA-N 1 3 330.473 -0.179 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292753 830466136 /nfs/dbraw/zinc/46/61/36/830466136.db2.gz SDFAVDLFZYYOST-GJZGRUSLSA-N 1 3 325.453 -0.130 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292753 830466142 /nfs/dbraw/zinc/46/61/42/830466142.db2.gz SDFAVDLFZYYOST-GJZGRUSLSA-N 1 3 325.453 -0.130 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001148643219 830522657 /nfs/dbraw/zinc/52/26/57/830522657.db2.gz VGSPIVPDPJRYCN-CYBMUJFWSA-N 1 3 334.486 -0.685 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848039 830763031 /nfs/dbraw/zinc/76/30/31/830763031.db2.gz IHVVHPCJFCQIHN-CABCVRRESA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848039 830763034 /nfs/dbraw/zinc/76/30/34/830763034.db2.gz IHVVHPCJFCQIHN-CABCVRRESA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881604 830774455 /nfs/dbraw/zinc/77/44/55/830774455.db2.gz PILSDJJARFWVTQ-OAGGEKHMSA-N 1 3 345.484 -0.213 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881603 830774895 /nfs/dbraw/zinc/77/48/95/830774895.db2.gz PILSDJJARFWVTQ-JYJNAYRXSA-N 1 3 345.484 -0.213 20 0 EBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193065 830835035 /nfs/dbraw/zinc/83/50/35/830835035.db2.gz LIVIPFRKVWDSSV-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219276 830842350 /nfs/dbraw/zinc/84/23/50/830842350.db2.gz NUEDBTZBFQXHDZ-HZPDHXFCSA-N 1 3 343.468 -0.457 20 0 EBADHO COCCN1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508202 830918997 /nfs/dbraw/zinc/91/89/97/830918997.db2.gz PMQCZIRJRSHURU-MRXNPFEDSA-N 1 3 343.468 -0.049 20 0 EBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589887 830940148 /nfs/dbraw/zinc/94/01/48/830940148.db2.gz XEEPYFFVCRFAHM-CABCVRRESA-N 1 3 341.452 -0.703 20 0 EBADHO COc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001151065224 831020994 /nfs/dbraw/zinc/02/09/94/831020994.db2.gz IOODNXSVIDRXKJ-OAHLLOKOSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001151065224 831021007 /nfs/dbraw/zinc/02/10/07/831021007.db2.gz IOODNXSVIDRXKJ-OAHLLOKOSA-N 1 3 348.447 -0.031 20 0 EBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073921 831022643 /nfs/dbraw/zinc/02/26/43/831022643.db2.gz SNJZANXKEOFSPS-MNOVXSKESA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073921 831022647 /nfs/dbraw/zinc/02/26/47/831022647.db2.gz SNJZANXKEOFSPS-MNOVXSKESA-N 1 3 325.413 -0.979 20 0 EBADHO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)CN2CCOCC2)nn1 ZINC001151158592 831034377 /nfs/dbraw/zinc/03/43/77/831034377.db2.gz PQUKXGWRXISIFJ-CYBMUJFWSA-N 1 3 337.424 -0.341 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145898 831133742 /nfs/dbraw/zinc/13/37/42/831133742.db2.gz FXCTXGOEDJRQLJ-OKILXGFUSA-N 1 3 328.457 -0.282 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152145898 831133747 /nfs/dbraw/zinc/13/37/47/831133747.db2.gz FXCTXGOEDJRQLJ-OKILXGFUSA-N 1 3 328.457 -0.282 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001155789915 831430094 /nfs/dbraw/zinc/43/00/94/831430094.db2.gz HRHMPOONJSBFHF-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@H]3CCCN3C)C2=O)cn1 ZINC001155813565 831432081 /nfs/dbraw/zinc/43/20/81/831432081.db2.gz SDKXHADAXUCSJW-LSDHHAIUSA-N 1 3 348.451 -0.285 20 0 EBADHO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)n(C)n1 ZINC001155822166 831433378 /nfs/dbraw/zinc/43/33/78/831433378.db2.gz KAOOUERNYWZBRI-ZDUSSCGKSA-N 1 3 336.440 -0.143 20 0 EBADHO CO[C@H]1CCN[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386869 831563187 /nfs/dbraw/zinc/56/31/87/831563187.db2.gz RBLSPXQBEDXBJQ-KKUMJFAQSA-N 1 3 340.468 -0.010 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157591237 831581078 /nfs/dbraw/zinc/58/10/78/831581078.db2.gz IQWRQIOAVKMIPU-MJBXVCDLSA-N 1 3 328.416 -0.397 20 0 EBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC(C)([NH3+])C1 ZINC001157652132 831583892 /nfs/dbraw/zinc/58/38/92/831583892.db2.gz WNZPFBXKLYATMR-QWRGUYRKSA-N 1 3 348.538 -0.136 20 0 EBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715642 831587362 /nfs/dbraw/zinc/58/73/62/831587362.db2.gz HSMKYFXRUXJZDV-KGLIPLIRSA-N 1 3 333.436 -0.419 20 0 EBADHO [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@H]2CF)CC1 ZINC001158567703 831666625 /nfs/dbraw/zinc/66/66/25/831666625.db2.gz KHVRJZNUVVXQRV-IJLUTSLNSA-N 1 3 345.440 -0.702 20 0 EBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001158791664 831686349 /nfs/dbraw/zinc/68/63/49/831686349.db2.gz ZGWRBBBDHNBDMO-NWDGAFQWSA-N 1 3 334.424 -0.821 20 0 EBADHO O=C([C@H]1C[NH2+]CCN1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159560751 831761152 /nfs/dbraw/zinc/76/11/52/831761152.db2.gz NGGSALUCKOIVDU-OAHLLOKOSA-N 1 3 332.452 -0.181 20 0 EBADHO O=C([C@H]1C[NH2+]CCN1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666003 831769872 /nfs/dbraw/zinc/76/98/72/831769872.db2.gz NPOKSLZBMVIOIY-YESZJQIVSA-N 1 3 345.447 -0.555 20 0 EBADHO [NH3+]CCNCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666012 831770223 /nfs/dbraw/zinc/77/02/23/831770223.db2.gz NSSBHOOSALJPKJ-HZPDHXFCSA-N 1 3 333.436 -0.568 20 0 EBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664424 831770395 /nfs/dbraw/zinc/77/03/95/831770395.db2.gz DPAFOXIHNXYLMZ-YVSFHVDLSA-N 1 3 345.447 -0.570 20 0 EBADHO [NH3+]C[C@H](O)CC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668585 831772198 /nfs/dbraw/zinc/77/21/98/831772198.db2.gz YNDJLNKBQVNBGX-ARFHVFGLSA-N 1 3 334.420 -0.407 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159800762 831784133 /nfs/dbraw/zinc/78/41/33/831784133.db2.gz YBURZUUCELGJCR-KBPBESRZSA-N 1 3 331.424 -0.196 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854246 831788829 /nfs/dbraw/zinc/78/88/29/831788829.db2.gz NWQVUTPFRMMHOD-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874609 831791337 /nfs/dbraw/zinc/79/13/37/831791337.db2.gz UIVHVMCHDZSCNU-RHSMWYFYSA-N 1 3 348.451 -0.259 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001159915228 831796610 /nfs/dbraw/zinc/79/66/10/831796610.db2.gz HUEGWIQKOLSPML-HOCLYGCPSA-N 1 3 340.468 -0.282 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914551 831796744 /nfs/dbraw/zinc/79/67/44/831796744.db2.gz DVRMNTIONCEBIV-HNNXBMFYSA-N 1 3 328.457 -0.425 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001159915227 831797309 /nfs/dbraw/zinc/79/73/09/831797309.db2.gz HUEGWIQKOLSPML-GOEBONIOSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001159933047 831799544 /nfs/dbraw/zinc/79/95/44/831799544.db2.gz YNSIXNOGOBCSAQ-BBRMVZONSA-N 1 3 340.468 -0.425 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129307 831817456 /nfs/dbraw/zinc/81/74/56/831817456.db2.gz UWGIROONAYGAEJ-CYBMUJFWSA-N 1 3 342.403 -0.387 20 0 EBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CCC2 ZINC001160324431 831838070 /nfs/dbraw/zinc/83/80/70/831838070.db2.gz VKASFIOWNVJNMW-INIZCTEOSA-N 1 3 348.451 -0.422 20 0 EBADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160411758 831845882 /nfs/dbraw/zinc/84/58/82/831845882.db2.gz HAKOGSLRRNHTMN-RDBSUJKOSA-N 1 3 344.415 -0.239 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160425991 831849020 /nfs/dbraw/zinc/84/90/20/831849020.db2.gz BVWQNZAVTMXZLV-GJZGRUSLSA-N 1 3 333.473 -0.308 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573909 831865279 /nfs/dbraw/zinc/86/52/79/831865279.db2.gz XYFOKNYXBLOPPX-CQSZACIVSA-N 1 3 326.400 -0.329 20 0 EBADHO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160597242 831869110 /nfs/dbraw/zinc/86/91/10/831869110.db2.gz RCXADDJDHZYXDE-OLZOCXBDSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160597242 831869123 /nfs/dbraw/zinc/86/91/23/831869123.db2.gz RCXADDJDHZYXDE-OLZOCXBDSA-N 1 3 325.409 -0.349 20 0 EBADHO Cc1ccnc(N2CCN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)CC2)c1 ZINC001160604333 831870228 /nfs/dbraw/zinc/87/02/28/831870228.db2.gz ALZWYDLDJFBWMC-MRXNPFEDSA-N 1 3 346.479 -0.211 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001160883498 831903235 /nfs/dbraw/zinc/90/32/35/831903235.db2.gz OXXATYYKXKRZQS-UONOGXRCSA-N 1 3 328.457 -0.594 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009339 831913386 /nfs/dbraw/zinc/91/33/86/831913386.db2.gz UTKYVGIRKQQXKJ-KBPBESRZSA-N 1 3 326.441 -0.665 20 0 EBADHO C[C@](N)(CO)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196891 831936457 /nfs/dbraw/zinc/93/64/57/831936457.db2.gz UQHDWCJLUKVIDT-KRWDZBQOSA-N 1 3 342.484 -0.753 20 0 EBADHO Cc1ccnc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)n1 ZINC001161299576 831946252 /nfs/dbraw/zinc/94/62/52/831946252.db2.gz XNSQYIHXLKIRRF-RHSMWYFYSA-N 1 3 330.436 -0.367 20 0 EBADHO Cc1cc(O[C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)ncn1 ZINC001161310063 831947496 /nfs/dbraw/zinc/94/74/96/831947496.db2.gz XLEYQNILSRPHRR-KGLIPLIRSA-N 1 3 331.420 -0.036 20 0 EBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161450063 831959144 /nfs/dbraw/zinc/95/91/44/831959144.db2.gz ZJBYWWPOTQIDCH-NJVJYBDUSA-N 1 3 340.468 -0.740 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1CCOCC1)CC2 ZINC001161476564 831962077 /nfs/dbraw/zinc/96/20/77/831962077.db2.gz DNQHOCFQQXHASV-DVOMOZLQSA-N 1 3 325.409 -0.506 20 0 EBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592569 831975658 /nfs/dbraw/zinc/97/56/58/831975658.db2.gz XLGONSBHHDKZTD-INIZCTEOSA-N 1 3 342.443 -0.062 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601503 831976414 /nfs/dbraw/zinc/97/64/14/831976414.db2.gz HBOKYQORCJQAKN-HZSPNIEDSA-N 1 3 326.416 -0.933 20 0 EBADHO CCOC(=O)c1c(CN)ncn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001162529875 832050786 /nfs/dbraw/zinc/05/07/86/832050786.db2.gz FSDWHODCXFRYKY-UHFFFAOYSA-N 1 3 331.380 -0.293 20 0 EBADHO CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001162872624 832069588 /nfs/dbraw/zinc/06/95/88/832069588.db2.gz YNLGMKUJPZMNJD-CWVKQELPSA-N 1 3 336.436 -0.824 20 0 EBADHO CN(C)CCCN(C)c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001163595954 832123682 /nfs/dbraw/zinc/12/36/82/832123682.db2.gz YBYYHQKHAWCMIU-UHFFFAOYSA-N 1 3 341.481 -0.044 20 0 EBADHO CN(c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)S(=O)(=O)CCN ZINC001164296714 832182803 /nfs/dbraw/zinc/18/28/03/832182803.db2.gz MPCZDFVUKYZSMR-CYBMUJFWSA-N 1 3 338.433 -0.438 20 0 EBADHO C[NH+]1CCC(C(=O)NCCCNCC(=O)Nc2cnccn2)CC1 ZINC001165772045 832236570 /nfs/dbraw/zinc/23/65/70/832236570.db2.gz HGNJVRJCVFPARQ-UHFFFAOYSA-N 1 3 334.424 -0.147 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001166626820 832275041 /nfs/dbraw/zinc/27/50/41/832275041.db2.gz KGNXMDCYMJGSNP-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627434 832275102 /nfs/dbraw/zinc/27/51/02/832275102.db2.gz VTIOJLGIXCWZHX-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627433 832275384 /nfs/dbraw/zinc/27/53/84/832275384.db2.gz VTIOJLGIXCWZHX-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667806 832277310 /nfs/dbraw/zinc/27/73/10/832277310.db2.gz IUQLVFPRSONPTG-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677870 832279070 /nfs/dbraw/zinc/27/90/70/832279070.db2.gz OXVMDSGLEMZRAF-CQSZACIVSA-N 1 3 348.513 -0.247 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001166678453 832280512 /nfs/dbraw/zinc/28/05/12/832280512.db2.gz VNEXXKMJSOOCNT-CQSZACIVSA-N 1 3 348.513 -0.294 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708195 832282538 /nfs/dbraw/zinc/28/25/38/832282538.db2.gz NUGHUFAZLRRTHD-MNOVXSKESA-N 1 3 340.453 -0.230 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708195 832282542 /nfs/dbraw/zinc/28/25/42/832282542.db2.gz NUGHUFAZLRRTHD-MNOVXSKESA-N 1 3 340.453 -0.230 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708196 832283095 /nfs/dbraw/zinc/28/30/95/832283095.db2.gz NUGHUFAZLRRTHD-QWRGUYRKSA-N 1 3 340.453 -0.230 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708196 832283102 /nfs/dbraw/zinc/28/31/02/832283102.db2.gz NUGHUFAZLRRTHD-QWRGUYRKSA-N 1 3 340.453 -0.230 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166750938 832287187 /nfs/dbraw/zinc/28/71/87/832287187.db2.gz NGLSFOZDKIGJHF-GFCCVEGCSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C ZINC001166858440 832294732 /nfs/dbraw/zinc/29/47/32/832294732.db2.gz UWQKXOZPYHMQOS-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626693 832360256 /nfs/dbraw/zinc/36/02/56/832360256.db2.gz FMIGCSVFCYNCPQ-CYBMUJFWSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001167636685 832361863 /nfs/dbraw/zinc/36/18/63/832361863.db2.gz XZLLUSLLYKTJGO-STQMWFEESA-N 1 3 341.456 -0.071 20 0 EBADHO CN1CCC(NC(=O)c2ccc(-n3ccc(CC[NH3+])n3)nn2)CC1 ZINC001167729247 832366715 /nfs/dbraw/zinc/36/67/15/832366715.db2.gz FPJCMXCAMNCXPA-UHFFFAOYSA-N 1 3 329.408 -0.013 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001353183296 832414362 /nfs/dbraw/zinc/41/43/62/832414362.db2.gz MJNQIHIYTIKLRC-CABCVRRESA-N 1 3 339.484 -0.674 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001168763507 832434088 /nfs/dbraw/zinc/43/40/88/832434088.db2.gz OTDKAKYKNIHEQG-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001168762516 832434296 /nfs/dbraw/zinc/43/42/96/832434296.db2.gz DSEZXMSLWLJNHX-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001171762843 832574842 /nfs/dbraw/zinc/57/48/42/832574842.db2.gz NLOOZYIHPHKPQT-AWEZNQCLSA-N 1 3 348.513 -0.294 20 0 EBADHO C[C@@H]1O[C@@H](OCCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172109296 832579765 /nfs/dbraw/zinc/57/97/65/832579765.db2.gz CFHYXOQPLZOIBI-GLKGHGLZSA-N 1 3 344.452 -0.565 20 0 EBADHO C[C@@H]1O[C@@H](OCCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172109296 832579770 /nfs/dbraw/zinc/57/97/70/832579770.db2.gz CFHYXOQPLZOIBI-GLKGHGLZSA-N 1 3 344.452 -0.565 20 0 EBADHO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)CN2CCCC2)s1 ZINC001176103340 832657499 /nfs/dbraw/zinc/65/74/99/832657499.db2.gz WZMWJNRORQEKDD-UHFFFAOYSA-N 1 3 340.453 -0.023 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971701 832722562 /nfs/dbraw/zinc/72/25/62/832722562.db2.gz FXOWFOLTGOMSQX-CABCVRRESA-N 1 3 333.473 -0.165 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001176991786 832727977 /nfs/dbraw/zinc/72/79/77/832727977.db2.gz DQZLPBRQPHQIAA-CQSZACIVSA-N 1 3 348.513 -0.104 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439178 832978437 /nfs/dbraw/zinc/97/84/37/832978437.db2.gz IPXOAPILQKBMAG-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC[C@H]2CCCO2)CCN1C(=O)CC[NH+](C)C ZINC001179481971 832981856 /nfs/dbraw/zinc/98/18/56/832981856.db2.gz NEJYAUOOKGSDMV-ZNMIVQPWSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C)N(C)C ZINC001179554248 832988055 /nfs/dbraw/zinc/98/80/55/832988055.db2.gz XCVMTHCGDGIKBR-CYDGBPFRSA-N 1 3 341.456 -0.250 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187107212 833901082 /nfs/dbraw/zinc/90/10/82/833901082.db2.gz XOFKWWIQUQXEBH-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187107212 833901089 /nfs/dbraw/zinc/90/10/89/833901089.db2.gz XOFKWWIQUQXEBH-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO O=C(CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NCC(F)(F)F ZINC001187122147 833903912 /nfs/dbraw/zinc/90/39/12/833903912.db2.gz PNQYAMJVDDBRKR-LLVKDONJSA-N 1 3 348.369 -0.049 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232160 833912710 /nfs/dbraw/zinc/91/27/10/833912710.db2.gz WJDNYGIMHOKANG-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001187321932 833919617 /nfs/dbraw/zinc/91/96/17/833919617.db2.gz IQFQNGPABHTCPB-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)C1 ZINC001187817984 833971875 /nfs/dbraw/zinc/97/18/75/833971875.db2.gz MHUNPNLJMPTUAQ-UKRRQHHQSA-N 1 3 338.452 -0.576 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)C1 ZINC001187817984 833971878 /nfs/dbraw/zinc/97/18/78/833971878.db2.gz MHUNPNLJMPTUAQ-UKRRQHHQSA-N 1 3 338.452 -0.576 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001187843227 833973204 /nfs/dbraw/zinc/97/32/04/833973204.db2.gz YKBVLFHAINXVMM-CYBMUJFWSA-N 1 3 337.424 -0.785 20 0 EBADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001187945387 833987926 /nfs/dbraw/zinc/98/79/26/833987926.db2.gz XJBDWNCGOLTGPF-GVDBMIGSSA-N 1 3 337.464 -0.130 20 0 EBADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001188118062 834007396 /nfs/dbraw/zinc/00/73/96/834007396.db2.gz FHRGVOQNZLRDPV-CYBMUJFWSA-N 1 3 347.419 -0.253 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001188144947 834012914 /nfs/dbraw/zinc/01/29/14/834012914.db2.gz AROQLRHPENUWJI-CYBMUJFWSA-N 1 3 339.440 -0.495 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001189801476 834193245 /nfs/dbraw/zinc/19/32/45/834193245.db2.gz HJKPYYFTSJDGAF-LSDHHAIUSA-N 1 3 329.441 -0.894 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328994 837747799 /nfs/dbraw/zinc/74/77/99/837747799.db2.gz LYIKMRLCZDHIDJ-OAGGEKHMSA-N 1 3 343.468 -0.053 20 0 EBADHO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328994 837747805 /nfs/dbraw/zinc/74/78/05/837747805.db2.gz LYIKMRLCZDHIDJ-OAGGEKHMSA-N 1 3 343.468 -0.053 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169907 834621000 /nfs/dbraw/zinc/62/10/00/834621000.db2.gz FLSIACPGPGKEAJ-LBPRGKRZSA-N 1 3 325.413 -0.977 20 0 EBADHO CN(CCOCCO)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077941 834791310 /nfs/dbraw/zinc/79/13/10/834791310.db2.gz OZIYOAXKHMYCTM-HNNXBMFYSA-N 1 3 343.468 -0.361 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC001193280238 834826429 /nfs/dbraw/zinc/82/64/29/834826429.db2.gz VBAANEFVNPQUBO-ZDUSSCGKSA-N 1 3 339.440 -0.587 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC001193280238 834826435 /nfs/dbraw/zinc/82/64/35/834826435.db2.gz VBAANEFVNPQUBO-ZDUSSCGKSA-N 1 3 339.440 -0.587 20 0 EBADHO COCCOC[C@H](O)CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048329 835498046 /nfs/dbraw/zinc/49/80/46/835498046.db2.gz DTIDAVDDJGRTHG-OAHLLOKOSA-N 1 3 331.457 -0.504 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787884 835861841 /nfs/dbraw/zinc/86/18/41/835861841.db2.gz GURMGHWGBHHGGN-YPMHNXCESA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687896 836014853 /nfs/dbraw/zinc/01/48/53/836014853.db2.gz HUAWFYPCQITQOQ-OLZOCXBDSA-N 1 3 326.441 -0.448 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688064 836015005 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CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200865470 836051889 /nfs/dbraw/zinc/05/18/89/836051889.db2.gz JCLNMFOBNMFCTQ-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200865470 836051894 /nfs/dbraw/zinc/05/18/94/836051894.db2.gz JCLNMFOBNMFCTQ-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1)C1CC1 ZINC001201052473 836086413 /nfs/dbraw/zinc/08/64/13/836086413.db2.gz FWNCXTYEQDGYLH-CQSZACIVSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1)C(N)=O ZINC001201128219 836098942 /nfs/dbraw/zinc/09/89/42/836098942.db2.gz GCAGMJAJYDLXIM-KGLIPLIRSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001201240842 836116252 /nfs/dbraw/zinc/11/62/52/836116252.db2.gz ZWIKOECNWSQSPO-CYBMUJFWSA-N 1 3 334.486 -0.544 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001201240790 836116543 /nfs/dbraw/zinc/11/65/43/836116543.db2.gz YPKJNYMZVJWBLA-ZYHUDNBSSA-N 1 3 327.429 -0.509 20 0 EBADHO CN1CC[C@@H](NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)C1=O ZINC001201277457 836121951 /nfs/dbraw/zinc/12/19/51/836121951.db2.gz SRNIUWRUMBDALJ-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201277601 836122313 /nfs/dbraw/zinc/12/23/13/836122313.db2.gz VEIMWAGGHIGOLK-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309520 836126830 /nfs/dbraw/zinc/12/68/30/836126830.db2.gz RBCKDUSRZILKPO-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)N2CCCC2)C1 ZINC001201318597 836127853 /nfs/dbraw/zinc/12/78/53/836127853.db2.gz PYFFXIKTOPHILQ-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001201410813 836142192 /nfs/dbraw/zinc/14/21/92/836142192.db2.gz KBLLNNBGAAPXBV-ZNMIVQPWSA-N 1 3 331.457 -0.459 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201568208 836160922 /nfs/dbraw/zinc/16/09/22/836160922.db2.gz DROOJYUXUOXILK-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001201808358 836194509 /nfs/dbraw/zinc/19/45/09/836194509.db2.gz CBCCRJYJHUISDS-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001201808358 836194510 /nfs/dbraw/zinc/19/45/10/836194510.db2.gz CBCCRJYJHUISDS-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863374 836207602 /nfs/dbraw/zinc/20/76/02/836207602.db2.gz LXANWUGSDHTEDS-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863374 836207612 /nfs/dbraw/zinc/20/76/12/836207612.db2.gz LXANWUGSDHTEDS-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871316 836208679 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EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202140861 836261892 /nfs/dbraw/zinc/26/18/92/836261892.db2.gz HHXKGWJKINMRQX-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001202353452 836293092 /nfs/dbraw/zinc/29/30/92/836293092.db2.gz MGYYBPMIAJKMOU-CQSZACIVSA-N 1 3 348.513 -0.298 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001202991883 836378034 /nfs/dbraw/zinc/37/80/34/836378034.db2.gz TVJWDBIQYDZQPG-NSHDSACASA-N 1 3 327.429 -0.508 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203704980 836463726 /nfs/dbraw/zinc/46/37/26/836463726.db2.gz JVHJKBLOAAPUJX-UHFFFAOYSA-N 1 3 339.440 -0.492 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790905 836478265 /nfs/dbraw/zinc/47/82/65/836478265.db2.gz ABYUCFJBAYWXBO-RYUDHWBXSA-N 1 3 339.440 -0.462 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206275184 836635128 /nfs/dbraw/zinc/63/51/28/836635128.db2.gz POGXLZINUZTADL-GFCCVEGCSA-N 1 3 339.440 -0.649 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206275185 836635388 /nfs/dbraw/zinc/63/53/88/836635388.db2.gz POGXLZINUZTADL-LBPRGKRZSA-N 1 3 339.440 -0.649 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001206954761 836727672 /nfs/dbraw/zinc/72/76/72/836727672.db2.gz WBXMIMBOVLLVBK-CQSZACIVSA-N 1 3 338.452 -0.040 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001208334966 836999542 /nfs/dbraw/zinc/99/95/42/836999542.db2.gz OXMTZEQVCUEQBA-KBPBESRZSA-N 1 3 346.497 -0.544 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208446969 837042005 /nfs/dbraw/zinc/04/20/05/837042005.db2.gz DUCSPBLQSFHIRD-LLVKDONJSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208446969 837042013 /nfs/dbraw/zinc/04/20/13/837042013.db2.gz DUCSPBLQSFHIRD-LLVKDONJSA-N 1 3 327.429 -0.508 20 0 EBADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447284 837042402 /nfs/dbraw/zinc/04/24/02/837042402.db2.gz BFOZOFORYIHWAV-OWCLPIDISA-N 1 3 345.484 -0.211 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324983 837155650 /nfs/dbraw/zinc/15/56/50/837155650.db2.gz VMMRDGIAVYJERP-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001209325339 837157800 /nfs/dbraw/zinc/15/78/00/837157800.db2.gz YZYBYJLWGINCHA-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC2CCOCC2)C1 ZINC001209418914 837165857 /nfs/dbraw/zinc/16/58/57/837165857.db2.gz GSVBHTOLQRTTFQ-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419145 837166840 /nfs/dbraw/zinc/16/68/40/837166840.db2.gz JMBXCGJQWYAPEZ-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447054 837167990 /nfs/dbraw/zinc/16/79/90/837167990.db2.gz WKWAJYPPIPVVHY-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001209474132 837169963 /nfs/dbraw/zinc/16/99/63/837169963.db2.gz FKKWNOVCKOCPSX-ZIAGYGMSSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209485922 837171054 /nfs/dbraw/zinc/17/10/54/837171054.db2.gz UGMDZUIFCBQNDV-GXTWGEPZSA-N 1 3 341.456 -0.391 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209659894 837187128 /nfs/dbraw/zinc/18/71/28/837187128.db2.gz JYQCWWVUXWVGDL-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835892 837203644 /nfs/dbraw/zinc/20/36/44/837203644.db2.gz DUJJGCJIIPLRRO-IIAWOOMASA-N 1 3 343.468 -0.459 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001209837263 837205186 /nfs/dbraw/zinc/20/51/86/837205186.db2.gz ORIOYKREQBTRHB-ZFWWWQNUSA-N 1 3 332.408 -0.210 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836822 837205468 /nfs/dbraw/zinc/20/54/68/837205468.db2.gz NTGPCQVHFUECMK-HIFRSBDPSA-N 1 3 340.424 -0.443 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210219835 837256573 /nfs/dbraw/zinc/25/65/73/837256573.db2.gz UNEJBSBRBAXWTD-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001210228436 837256731 /nfs/dbraw/zinc/25/67/31/837256731.db2.gz IQEUBPYTIPQSAJ-HZPDHXFCSA-N 1 3 345.484 -0.067 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 ZINC001210678884 837318018 /nfs/dbraw/zinc/31/80/18/837318018.db2.gz XMEUBBXVVNQAQO-CYBMUJFWSA-N 1 3 335.470 -0.810 20 0 EBADHO C[C@@H](N[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742215 837327127 /nfs/dbraw/zinc/32/71/27/837327127.db2.gz BTJPZCHNWIGYIT-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001210790230 837330756 /nfs/dbraw/zinc/33/07/56/837330756.db2.gz WJCIMNOEEYHEEE-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863489 837888489 /nfs/dbraw/zinc/88/84/89/837888489.db2.gz LZNJNFGRDBIATP-RRFJBIMHSA-N 1 3 329.441 -0.584 20 0 EBADHO COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863489 837888502 /nfs/dbraw/zinc/88/85/02/837888502.db2.gz LZNJNFGRDBIATP-RRFJBIMHSA-N 1 3 329.441 -0.584 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001319124846 838076672 /nfs/dbraw/zinc/07/66/72/838076672.db2.gz VKTLWKWDWIUNCE-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001319124846 838076687 /nfs/dbraw/zinc/07/66/87/838076687.db2.gz VKTLWKWDWIUNCE-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO CCN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737768 838827623 /nfs/dbraw/zinc/82/76/23/838827623.db2.gz NRGNVWGIDLROJQ-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO CCN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320737768 838827632 /nfs/dbraw/zinc/82/76/32/838827632.db2.gz NRGNVWGIDLROJQ-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001321879104 839094228 /nfs/dbraw/zinc/09/42/28/839094228.db2.gz XGIYGYCPHSJDMM-AAEUAGOBSA-N 1 3 327.429 -0.781 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001326024698 840006590 /nfs/dbraw/zinc/00/65/90/840006590.db2.gz WUAQBLXEWLBYJZ-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCC(=O)N2CCC2)CC[N@H+]1C ZINC001326024698 840006597 /nfs/dbraw/zinc/00/65/97/840006597.db2.gz WUAQBLXEWLBYJZ-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N(CCO)CCNCC(N)=O)C1 ZINC001326092425 840031508 /nfs/dbraw/zinc/03/15/08/840031508.db2.gz YMNMTCRRPLIUMD-OAHLLOKOSA-N 1 3 332.420 -0.905 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N(CCO)CCNCC(N)=O)C1 ZINC001326092425 840031511 /nfs/dbraw/zinc/03/15/11/840031511.db2.gz YMNMTCRRPLIUMD-OAHLLOKOSA-N 1 3 332.420 -0.905 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001326546392 840132005 /nfs/dbraw/zinc/13/20/05/840132005.db2.gz FFDIDEOHLPWPTG-KGLIPLIRSA-N 1 3 327.473 -0.628 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001326560239 840135213 /nfs/dbraw/zinc/13/52/13/840135213.db2.gz HITRCIAYHWZSBI-SOUVJXGZSA-N 1 3 340.468 -0.249 20 0 EBADHO CN(CCCN(C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001327276498 840348673 /nfs/dbraw/zinc/34/86/73/840348673.db2.gz COMIVOHLWDBHLH-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO CN(CCCN(C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001327276498 840348685 /nfs/dbraw/zinc/34/86/85/840348685.db2.gz COMIVOHLWDBHLH-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001327534101 840448051 /nfs/dbraw/zinc/44/80/51/840448051.db2.gz YNWGVALNQSHOSG-YOEHRIQHSA-N 1 3 338.452 -0.447 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCOC1(C)C ZINC001329198638 840871517 /nfs/dbraw/zinc/87/15/17/840871517.db2.gz DAULYMQVJDBGFN-CQSZACIVSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001329565716 840954795 /nfs/dbraw/zinc/95/47/95/840954795.db2.gz JLPCSLWHXMCHRY-UHFFFAOYSA-N 1 3 339.484 -0.580 20 0 EBADHO CCN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC001331167343 841362183 /nfs/dbraw/zinc/36/21/83/841362183.db2.gz GFGQOMSJXZAIOG-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566218 841672167 /nfs/dbraw/zinc/67/21/67/841672167.db2.gz MPLRRGRQQJWISD-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO CNC(=O)[C@@H](C)NCCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001333223117 841825712 /nfs/dbraw/zinc/82/57/12/841825712.db2.gz NRWAVNIWEUXFLO-MGPQQGTHSA-N 1 3 328.457 -0.474 20 0 EBADHO CNC(=O)[C@@H](C)NCCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001333223117 841825724 /nfs/dbraw/zinc/82/57/24/841825724.db2.gz NRWAVNIWEUXFLO-MGPQQGTHSA-N 1 3 328.457 -0.474 20 0 EBADHO CN(CCOCCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001333266199 841839075 /nfs/dbraw/zinc/83/90/75/841839075.db2.gz DDWJDYRYQQXRJZ-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(CCOCCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001333266199 841839084 /nfs/dbraw/zinc/83/90/84/841839084.db2.gz DDWJDYRYQQXRJZ-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001333542683 841903275 /nfs/dbraw/zinc/90/32/75/841903275.db2.gz LPHWLCLFLFSXSU-VHDGCEQUSA-N 1 3 338.452 -0.258 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001335195892 842220555 /nfs/dbraw/zinc/22/05/55/842220555.db2.gz DLZGOQWBBGVZCT-LSDHHAIUSA-N 1 3 339.484 -0.817 20 0 EBADHO CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001336318184 842437704 /nfs/dbraw/zinc/43/77/04/842437704.db2.gz DKWPKAIOTGGLSR-UONOGXRCSA-N 1 3 328.457 -0.426 20 0 EBADHO CCN(CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001341516739 843095535 /nfs/dbraw/zinc/09/55/35/843095535.db2.gz TZGXHABSRRUCQV-RDBSUJKOSA-N 1 3 331.482 -0.143 20 0 EBADHO [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1=O ZINC001341924777 843126007 /nfs/dbraw/zinc/12/60/07/843126007.db2.gz ZJIXDYKGCVSPNO-KKUMJFAQSA-N 1 3 338.452 -0.759 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncccc1F ZINC001346423273 843518154 /nfs/dbraw/zinc/51/81/54/843518154.db2.gz HSSUSXUDUMRGAY-UHFFFAOYSA-N 1 3 339.415 -0.211 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001347107824 843592772 /nfs/dbraw/zinc/59/27/72/843592772.db2.gz DBTPXGXZNSWDHN-XHSDSOJGSA-N 1 3 325.501 -0.237 20 0 EBADHO CN(CCNCC(=O)N1CCOCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001691500116 1126030172 /nfs/dbraw/zinc/03/01/72/1126030172.db2.gz JWPZEWDXUBSELQ-UHFFFAOYSA-N 1 3 340.468 -0.375 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001482065022 1126075197 /nfs/dbraw/zinc/07/51/97/1126075197.db2.gz DFWBZGUWTQZXDP-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001482290140 1126120527 /nfs/dbraw/zinc/12/05/27/1126120527.db2.gz YZLLMKHSCULYJV-FRRDWIJNSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC(=O)NC)CC[N@H+]1C ZINC001482290140 1126120528 /nfs/dbraw/zinc/12/05/28/1126120528.db2.gz YZLLMKHSCULYJV-FRRDWIJNSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317050 1126129779 /nfs/dbraw/zinc/12/97/79/1126129779.db2.gz NHKGCTNBPFJBCI-VXGBXAGGSA-N 1 3 341.456 -0.119 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482330988 1126133150 /nfs/dbraw/zinc/13/31/50/1126133150.db2.gz NGSLJZUVNFWLMH-NSHDSACASA-N 1 3 329.445 -0.404 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001482354879 1126137069 /nfs/dbraw/zinc/13/70/69/1126137069.db2.gz ANZPHPUMEFWVKC-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001482737690 1126272062 /nfs/dbraw/zinc/27/20/62/1126272062.db2.gz SAHQVPCIDYQUKD-CYBMUJFWSA-N 1 3 326.441 -0.840 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)CC(C)(C)C ZINC001482769109 1126283086 /nfs/dbraw/zinc/28/30/86/1126283086.db2.gz GMFXENNSRUDSTR-ZDUSSCGKSA-N 1 3 328.457 -0.737 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775534 1126285342 /nfs/dbraw/zinc/28/53/42/1126285342.db2.gz RUWPBLZNAQOFCP-HUUCEWRRSA-N 1 3 340.468 -0.405 20 0 EBADHO C[C@@H](NC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761845 1126280424 /nfs/dbraw/zinc/28/04/24/1126280424.db2.gz HXPZJULDJNBWAU-CHWSQXEVSA-N 1 3 342.484 -0.302 20 0 EBADHO CC[C@H](C)NC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787883 1126291151 /nfs/dbraw/zinc/29/11/51/1126291151.db2.gz XJHOUTIARHCRAC-QWHCGFSZSA-N 1 3 326.441 -0.936 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001483132960 1126342259 /nfs/dbraw/zinc/34/22/59/1126342259.db2.gz JVFYVSOXFHCWOR-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001483132960 1126342261 /nfs/dbraw/zinc/34/22/61/1126342261.db2.gz JVFYVSOXFHCWOR-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483236686 1126383999 /nfs/dbraw/zinc/38/39/99/1126383999.db2.gz PKWQVWWRIUJUMJ-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483236686 1126384001 /nfs/dbraw/zinc/38/40/01/1126384001.db2.gz PKWQVWWRIUJUMJ-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@@H](CNCC(=O)N1CCO[C@@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001483260348 1126411385 /nfs/dbraw/zinc/41/13/85/1126411385.db2.gz BAWAWWXYLRYLTN-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499742 1126599112 /nfs/dbraw/zinc/59/91/12/1126599112.db2.gz DGKYKKOXAIJMHQ-KBPBESRZSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499742 1126599114 /nfs/dbraw/zinc/59/91/14/1126599114.db2.gz DGKYKKOXAIJMHQ-KBPBESRZSA-N 1 3 342.484 -0.348 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699299 1126622575 /nfs/dbraw/zinc/62/25/75/1126622575.db2.gz OEALIENQWWQULG-UONOGXRCSA-N 1 3 340.468 -0.330 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699299 1126622577 /nfs/dbraw/zinc/62/25/77/1126622577.db2.gz OEALIENQWWQULG-UONOGXRCSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484695782 1126624655 /nfs/dbraw/zinc/62/46/55/1126624655.db2.gz IRSVTWYAOGXAAM-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001484695782 1126624656 /nfs/dbraw/zinc/62/46/56/1126624656.db2.gz IRSVTWYAOGXAAM-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484954978 1126658365 /nfs/dbraw/zinc/65/83/65/1126658365.db2.gz PRVJARYIXSUABV-CHWSQXEVSA-N 1 3 326.441 -0.984 20 0 EBADHO CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484954978 1126658366 /nfs/dbraw/zinc/65/83/66/1126658366.db2.gz PRVJARYIXSUABV-CHWSQXEVSA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)NCC(=O)NC(N)=O ZINC001485227096 1126682371 /nfs/dbraw/zinc/68/23/71/1126682371.db2.gz UUOUNHINYRUVKE-QWHCGFSZSA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955221 1126921994 /nfs/dbraw/zinc/92/19/94/1126921994.db2.gz HTASBEJYDPHNGL-NEPJUHHUSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955221 1126921997 /nfs/dbraw/zinc/92/19/97/1126921997.db2.gz HTASBEJYDPHNGL-NEPJUHHUSA-N 1 3 339.440 -0.637 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485961099 1126940861 /nfs/dbraw/zinc/94/08/61/1126940861.db2.gz QKJXBEUGTQBEME-LBPRGKRZSA-N 1 3 341.456 -0.249 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486127102 1127048936 /nfs/dbraw/zinc/04/89/36/1127048936.db2.gz HKALKHBPZHDYQC-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486127100 1127049231 /nfs/dbraw/zinc/04/92/31/1127049231.db2.gz HKALKHBPZHDYQC-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284350 1127081303 /nfs/dbraw/zinc/08/13/03/1127081303.db2.gz HGWPTOYVUNEZQI-KBPBESRZSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001410106483 1127569000 /nfs/dbraw/zinc/56/90/00/1127569000.db2.gz FAXGHCJAMOUWHI-GJZGRUSLSA-N 1 3 342.484 -0.204 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC001410117916 1127581765 /nfs/dbraw/zinc/58/17/65/1127581765.db2.gz QKBCWLINIGCQEL-GJZGRUSLSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001410125226 1127590146 /nfs/dbraw/zinc/59/01/46/1127590146.db2.gz IMMVMUUTZIDWOE-OLZOCXBDSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001410125226 1127590151 /nfs/dbraw/zinc/59/01/51/1127590151.db2.gz IMMVMUUTZIDWOE-OLZOCXBDSA-N 1 3 326.441 -0.984 20 0 EBADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512644 1127732020 /nfs/dbraw/zinc/73/20/20/1127732020.db2.gz OCLKPQCFNDBEDN-TZMCWYRMSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN1CC[C@H](N[C@@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767452 1127872330 /nfs/dbraw/zinc/87/23/30/1127872330.db2.gz XHPDMILOWOLOSM-CABCVRRESA-N 1 3 340.468 -0.594 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C[C@@H]1C ZINC001410854171 1127917639 /nfs/dbraw/zinc/91/76/39/1127917639.db2.gz BTDKSVBYEFQPPT-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001411095513 1128014074 /nfs/dbraw/zinc/01/40/74/1128014074.db2.gz LADQFTHRUPVQJE-XHDPSFHLSA-N 1 3 332.420 -0.907 20 0 EBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001411095513 1128014078 /nfs/dbraw/zinc/01/40/78/1128014078.db2.gz LADQFTHRUPVQJE-XHDPSFHLSA-N 1 3 332.420 -0.907 20 0 EBADHO CN(CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCNC1=O)CC(C)(C)C ZINC001411105775 1128017717 /nfs/dbraw/zinc/01/77/17/1128017717.db2.gz UWDMFTSGFFVZGK-KGLIPLIRSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)[C@@H]1N(C(=O)Cc2c[nH]cn2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093467659 1128343256 /nfs/dbraw/zinc/34/32/56/1128343256.db2.gz VDIXZPRZPFWYMH-JHNDHUHGSA-N 1 3 336.436 -0.089 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842026 1128355735 /nfs/dbraw/zinc/35/57/35/1128355735.db2.gz IWAQDPKAQHSFDO-CYBMUJFWSA-N 1 3 332.470 -0.788 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842379 1128355781 /nfs/dbraw/zinc/35/57/81/1128355781.db2.gz LRHWRJFZYGAKKU-OAHLLOKOSA-N 1 3 326.441 -0.575 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403237 1128741199 /nfs/dbraw/zinc/74/11/99/1128741199.db2.gz QTBSRDVOIWCSNH-GJZGRUSLSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001488383174 1128760140 /nfs/dbraw/zinc/76/01/40/1128760140.db2.gz QOIKTLNDVPJCTL-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001488383174 1128760145 /nfs/dbraw/zinc/76/01/45/1128760145.db2.gz QOIKTLNDVPJCTL-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CCC1 ZINC001489617822 1129029733 /nfs/dbraw/zinc/02/97/33/1129029733.db2.gz IPCXGEQLNFXWJO-KGLIPLIRSA-N 1 3 340.468 -0.500 20 0 EBADHO C[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001412964256 1129821156 /nfs/dbraw/zinc/82/11/56/1129821156.db2.gz FBPOKCIQBFXQKZ-LSDHHAIUSA-N 1 3 342.484 -0.204 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cn4c(n3)CNCC4)C[C@H]1C2 ZINC001236023610 1130531614 /nfs/dbraw/zinc/53/16/14/1130531614.db2.gz RWIWTFAKWXYUAT-PXMRGAAZSA-N 1 3 345.447 -0.183 20 0 EBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(=O)NC1CC1 ZINC001491563488 1130533735 /nfs/dbraw/zinc/53/37/35/1130533735.db2.gz GYALMWVXOQKWKN-LLVKDONJSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(=O)NC1CC1 ZINC001491567164 1130553088 /nfs/dbraw/zinc/55/30/88/1130553088.db2.gz DEKMBBHVWFEULU-LLVKDONJSA-N 1 3 339.440 -0.589 20 0 EBADHO NC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001280295168 1130557925 /nfs/dbraw/zinc/55/79/25/1130557925.db2.gz HLCOVHFNDKQARS-GFCCVEGCSA-N 1 3 325.413 -0.895 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001365892929 1132870866 /nfs/dbraw/zinc/87/08/66/1132870866.db2.gz VWQYGFQWGLRUNO-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)N(C)C ZINC001366125621 1133017708 /nfs/dbraw/zinc/01/77/08/1133017708.db2.gz PWLWBLTWVOKWRY-AJNGGQMLSA-N 1 3 340.468 -0.284 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366150687 1133028368 /nfs/dbraw/zinc/02/83/68/1133028368.db2.gz RFJOAEFFBXITLC-UTUOFQBUSA-N 1 3 339.440 -0.448 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325444 1133099703 /nfs/dbraw/zinc/09/97/03/1133099703.db2.gz RRWHTZXATHXOOJ-QWRGUYRKSA-N 1 3 327.429 -0.733 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001366370850 1133115316 /nfs/dbraw/zinc/11/53/16/1133115316.db2.gz YDQWKPQZSAPUKE-JSGCOSHPSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513009 1133163375 /nfs/dbraw/zinc/16/33/75/1133163375.db2.gz XXXDLXOOTLWXPO-WDEREUQCSA-N 1 3 340.453 -0.087 20 0 EBADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513009 1133163377 /nfs/dbraw/zinc/16/33/77/1133163377.db2.gz XXXDLXOOTLWXPO-WDEREUQCSA-N 1 3 340.453 -0.087 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001366777733 1133294016 /nfs/dbraw/zinc/29/40/16/1133294016.db2.gz SGHWBPPDFTTYCE-LLVKDONJSA-N 1 3 327.429 -0.780 20 0 EBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366899173 1133351794 /nfs/dbraw/zinc/35/17/94/1133351794.db2.gz ZSSYWYDEVCTDMV-JYJNAYRXSA-N 1 3 325.453 -0.084 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983349 1133401986 /nfs/dbraw/zinc/40/19/86/1133401986.db2.gz AVWVOMSTQXXTKT-HOTGVXAUSA-N 1 3 337.468 -0.122 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001367221261 1133504679 /nfs/dbraw/zinc/50/46/79/1133504679.db2.gz PMLUMWKQSDCSFP-VXGBXAGGSA-N 1 3 345.419 -0.558 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367381810 1133572506 /nfs/dbraw/zinc/57/25/06/1133572506.db2.gz MLPIWOPXOOFASC-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367381810 1133572511 /nfs/dbraw/zinc/57/25/11/1133572511.db2.gz MLPIWOPXOOFASC-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367390512 1133575726 /nfs/dbraw/zinc/57/57/26/1133575726.db2.gz ZCRNIJCOONXNMS-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367585226 1133655028 /nfs/dbraw/zinc/65/50/28/1133655028.db2.gz TWZNMCVYBOSAIL-CYBMUJFWSA-N 1 3 328.457 -0.546 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593723 1133666528 /nfs/dbraw/zinc/66/65/28/1133666528.db2.gz LMQORQGHTGNVOK-CHWSQXEVSA-N 1 3 326.441 -0.936 20 0 EBADHO CC1CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367623354 1133709516 /nfs/dbraw/zinc/70/95/16/1133709516.db2.gz KEEKIHBNCAQOIE-CABCVRRESA-N 1 3 340.468 -0.737 20 0 EBADHO CC1CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001367623354 1133709521 /nfs/dbraw/zinc/70/95/21/1133709521.db2.gz KEEKIHBNCAQOIE-CABCVRRESA-N 1 3 340.468 -0.737 20 0 EBADHO COc1cc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001367625655 1133713095 /nfs/dbraw/zinc/71/30/95/1133713095.db2.gz REHQTNRTJXGIHB-GJZGRUSLSA-N 1 3 336.436 -0.001 20 0 EBADHO COc1cc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001367625655 1133713098 /nfs/dbraw/zinc/71/30/98/1133713098.db2.gz REHQTNRTJXGIHB-GJZGRUSLSA-N 1 3 336.436 -0.001 20 0 EBADHO COc1cc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001367625660 1133713122 /nfs/dbraw/zinc/71/31/22/1133713122.db2.gz REHQTNRTJXGIHB-HUUCEWRRSA-N 1 3 336.436 -0.001 20 0 EBADHO COc1cc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001367625660 1133713126 /nfs/dbraw/zinc/71/31/26/1133713126.db2.gz REHQTNRTJXGIHB-HUUCEWRRSA-N 1 3 336.436 -0.001 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001367675089 1133741505 /nfs/dbraw/zinc/74/15/05/1133741505.db2.gz GSRROFFJGFLEKQ-YCPHGPKFSA-N 1 3 342.484 -0.086 20 0 EBADHO C[C@H](CNCC(=O)NC[C@@H]1CCOC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367695843 1133750213 /nfs/dbraw/zinc/75/02/13/1133750213.db2.gz MPOUAMSCHZFQPO-KGLIPLIRSA-N 1 3 340.468 -0.425 20 0 EBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367764600 1133776232 /nfs/dbraw/zinc/77/62/32/1133776232.db2.gz VTTFBQQQMLOHDR-GXTWGEPZSA-N 1 3 336.440 -0.617 20 0 EBADHO C[C@H](NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368127008 1133950497 /nfs/dbraw/zinc/95/04/97/1133950497.db2.gz PDZQOTNKARBGIX-NWDGAFQWSA-N 1 3 337.424 -0.754 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NC3CC3)CCOCC2)C1 ZINC001368242430 1134012247 /nfs/dbraw/zinc/01/22/47/1134012247.db2.gz UBRLBOFTTGLUHP-CYBMUJFWSA-N 1 3 338.452 -0.528 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NC3CC3)CCOCC2)C1 ZINC001368242430 1134012256 /nfs/dbraw/zinc/01/22/56/1134012256.db2.gz UBRLBOFTTGLUHP-CYBMUJFWSA-N 1 3 338.452 -0.528 20 0 EBADHO COCCN1CC[C@@](O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001368246865 1134020252 /nfs/dbraw/zinc/02/02/52/1134020252.db2.gz OGGPCGPJMVZSGI-MRXNPFEDSA-N 1 3 339.440 -0.742 20 0 EBADHO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368341682 1134155587 /nfs/dbraw/zinc/15/55/87/1134155587.db2.gz QYBIBARHKDDNIF-RYUDHWBXSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001368399429 1134205139 /nfs/dbraw/zinc/20/51/39/1134205139.db2.gz RNKCEJNDVJMXLX-SOUVJXGZSA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001368399429 1134205144 /nfs/dbraw/zinc/20/51/44/1134205144.db2.gz RNKCEJNDVJMXLX-SOUVJXGZSA-N 1 3 340.468 -0.642 20 0 EBADHO CN1CCC[C@H](NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001368413643 1134212628 /nfs/dbraw/zinc/21/26/28/1134212628.db2.gz SBCOFWAWKLKDBN-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO CN1CCC[C@H](NCCN(CCO)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001368413643 1134212634 /nfs/dbraw/zinc/21/26/34/1134212634.db2.gz SBCOFWAWKLKDBN-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(CCC[N@H+](C)CCN1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001368529907 1134276297 /nfs/dbraw/zinc/27/62/97/1134276297.db2.gz QTKHMVIAENFHBE-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(CCC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001368529907 1134276305 /nfs/dbraw/zinc/27/63/05/1134276305.db2.gz QTKHMVIAENFHBE-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578341 1134301153 /nfs/dbraw/zinc/30/11/53/1134301153.db2.gz JMLIIFMGYVFAEV-ZIAGYGMSSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[C@H](C(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCOCC1)N(C)C ZINC001368636131 1134347567 /nfs/dbraw/zinc/34/75/67/1134347567.db2.gz IGSFPRJJKRLSRM-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001368771884 1134433339 /nfs/dbraw/zinc/43/33/39/1134433339.db2.gz LRDYUHMPXGJAMZ-KBPBESRZSA-N 1 3 331.457 -0.723 20 0 EBADHO COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001369132696 1134581957 /nfs/dbraw/zinc/58/19/57/1134581957.db2.gz MNFVAGSDBSUOAN-ZQDZILKHSA-N 1 3 325.453 -0.228 20 0 EBADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001369132696 1134581960 /nfs/dbraw/zinc/58/19/60/1134581960.db2.gz MNFVAGSDBSUOAN-ZQDZILKHSA-N 1 3 325.453 -0.228 20 0 EBADHO C[C@@H](N[C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361168 1134713350 /nfs/dbraw/zinc/71/33/50/1134713350.db2.gz KKIAPPDSYIGHDA-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)CC(C)(C)C ZINC001369476904 1134838101 /nfs/dbraw/zinc/83/81/01/1134838101.db2.gz TXDXJOYOSKCKON-KGLIPLIRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001369486935 1134857121 /nfs/dbraw/zinc/85/71/21/1134857121.db2.gz WZKNQFRYSUMIFN-UONOGXRCSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001370356518 1135315853 /nfs/dbraw/zinc/31/58/53/1135315853.db2.gz OOHCTIYYEFHMBD-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)N(C)C ZINC001370362539 1135318781 /nfs/dbraw/zinc/31/87/81/1135318781.db2.gz JEYMBBXQYZESAP-SOUVJXGZSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370713895 1135535923 /nfs/dbraw/zinc/53/59/23/1135535923.db2.gz PKKDCJUHJKCINQ-LOWVWBTDSA-N 1 3 327.429 -0.735 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001370718608 1135542081 /nfs/dbraw/zinc/54/20/81/1135542081.db2.gz RIGIMMDFNYBEGB-MGPQQGTHSA-N 1 3 328.457 -0.740 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001370718608 1135542084 /nfs/dbraw/zinc/54/20/84/1135542084.db2.gz RIGIMMDFNYBEGB-MGPQQGTHSA-N 1 3 328.457 -0.740 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370720973 1135545027 /nfs/dbraw/zinc/54/50/27/1135545027.db2.gz ZOEZRGFGRNELCS-GJZGRUSLSA-N 1 3 340.468 -0.738 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001370728261 1135556538 /nfs/dbraw/zinc/55/65/38/1135556538.db2.gz HSERAVWKMZYWSH-ZIAGYGMSSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001370728261 1135556542 /nfs/dbraw/zinc/55/65/42/1135556542.db2.gz HSERAVWKMZYWSH-ZIAGYGMSSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC001370758040 1135600885 /nfs/dbraw/zinc/60/08/85/1135600885.db2.gz QZYAMBPSLXXPTG-UONOGXRCSA-N 1 3 342.484 -0.350 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813520 1135654314 /nfs/dbraw/zinc/65/43/14/1135654314.db2.gz XIJYLANUEJUIJF-DZGCQCFKSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001371033739 1135799977 /nfs/dbraw/zinc/79/99/77/1135799977.db2.gz HUPCCTNKHXUNSM-KWCYVHTRSA-N 1 3 337.424 -0.772 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001371033739 1135799981 /nfs/dbraw/zinc/79/99/81/1135799981.db2.gz HUPCCTNKHXUNSM-KWCYVHTRSA-N 1 3 337.424 -0.772 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001371184800 1135859172 /nfs/dbraw/zinc/85/91/72/1135859172.db2.gz HUVNTVMPSCOQLQ-MELADBBJSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001371184800 1135859175 /nfs/dbraw/zinc/85/91/75/1135859175.db2.gz HUVNTVMPSCOQLQ-MELADBBJSA-N 1 3 348.513 -0.298 20 0 EBADHO CN(CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)C1CCC1 ZINC001371527205 1135952262 /nfs/dbraw/zinc/95/22/62/1135952262.db2.gz AJOQSJUBSYROIL-KGLIPLIRSA-N 1 3 326.441 -0.890 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001371613883 1135984569 /nfs/dbraw/zinc/98/45/69/1135984569.db2.gz ICHNVEWXLMNFNF-HZPDHXFCSA-N 1 3 335.452 -0.222 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001371613877 1135984678 /nfs/dbraw/zinc/98/46/78/1135984678.db2.gz ICHNVEWXLMNFNF-HOTGVXAUSA-N 1 3 335.452 -0.222 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC1 ZINC001371842517 1136033098 /nfs/dbraw/zinc/03/30/98/1136033098.db2.gz HMPCJPKLIPKLGX-KBPBESRZSA-N 1 3 349.435 -0.628 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)COC1CCOCC1 ZINC001372223696 1136145513 /nfs/dbraw/zinc/14/55/13/1136145513.db2.gz KFABSXPNHTUCLJ-GJZGRUSLSA-N 1 3 343.468 -0.457 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)COC1CCOCC1 ZINC001372223696 1136145515 /nfs/dbraw/zinc/14/55/15/1136145515.db2.gz KFABSXPNHTUCLJ-GJZGRUSLSA-N 1 3 343.468 -0.457 20 0 EBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001372926674 1136328404 /nfs/dbraw/zinc/32/84/04/1136328404.db2.gz SMJPFVNQVMLUSY-WCQYABFASA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@@H](NCCN(C)C(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372994933 1136348988 /nfs/dbraw/zinc/34/89/88/1136348988.db2.gz VEWLEPOEGVCSFS-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001374247753 1136657419 /nfs/dbraw/zinc/65/74/19/1136657419.db2.gz UGQHNDSFJBFBMU-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C1CCC1 ZINC001374614660 1136748210 /nfs/dbraw/zinc/74/82/10/1136748210.db2.gz HEEVHMOZFFBLOD-UONOGXRCSA-N 1 3 326.441 -0.842 20 0 EBADHO CCN1CC[C@H](NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001374641319 1136769350 /nfs/dbraw/zinc/76/93/50/1136769350.db2.gz ZUIZEBLAEXWECH-OLZOCXBDSA-N 1 3 326.441 -0.984 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001374672435 1136791462 /nfs/dbraw/zinc/79/14/62/1136791462.db2.gz NCQGCOHDEOKTRO-OCCSQVGLSA-N 1 3 330.473 -0.446 20 0 EBADHO CN1CC[C@H](NC[C@H](O)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001374680198 1136797614 /nfs/dbraw/zinc/79/76/14/1136797614.db2.gz BQLYVLBGYXFASC-KBPBESRZSA-N 1 3 326.441 -0.840 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCO1 ZINC000643552801 375898139 /nfs/dbraw/zinc/89/81/39/375898139.db2.gz KDWQROLSYYAVSX-CHWSQXEVSA-N 1 3 326.441 -0.496 20 0 EBADHO C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000557292598 376169140 /nfs/dbraw/zinc/16/91/40/376169140.db2.gz WQABBQVEPHNCET-CHWSQXEVSA-N 1 3 327.473 -0.820 20 0 EBADHO CC(C)N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000569197716 376212204 /nfs/dbraw/zinc/21/22/04/376212204.db2.gz CCYQICMHQYUYIB-UHFFFAOYSA-N 1 3 341.500 -0.509 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584172874 376218634 /nfs/dbraw/zinc/21/86/34/376218634.db2.gz IYNKNGUOUYPVDA-RBSFLKMASA-N 1 3 341.500 -0.382 20 0 EBADHO CCc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000558100380 376222450 /nfs/dbraw/zinc/22/24/50/376222450.db2.gz OOKSXBLSLFSPAF-UHFFFAOYSA-N 1 3 339.440 -0.195 20 0 EBADHO CNC(=O)NC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000408033173 376290479 /nfs/dbraw/zinc/29/04/79/376290479.db2.gz IOHZESHIOKFDEJ-KBPBESRZSA-N 1 3 325.457 -0.210 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642917462 376749771 /nfs/dbraw/zinc/74/97/71/376749771.db2.gz VWIACPWMJYTEOP-OAHLLOKOSA-N 1 3 339.484 -0.659 20 0 EBADHO COCCN(C)C[C@@H](O)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000566415308 376788766 /nfs/dbraw/zinc/78/87/66/376788766.db2.gz AVHQZNFFOAVYIP-MRXNPFEDSA-N 1 3 345.484 -0.915 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000583426774 376795567 /nfs/dbraw/zinc/79/55/67/376795567.db2.gz RCGGMEMAJDUBHT-HUUCEWRRSA-N 1 3 342.484 -0.036 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1(CO)CC1 ZINC000562692445 376983787 /nfs/dbraw/zinc/98/37/87/376983787.db2.gz KNJVGECCJQNUGH-UHFFFAOYSA-N 1 3 328.457 -0.831 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000569677930 377087339 /nfs/dbraw/zinc/08/73/39/377087339.db2.gz KWPMOJDDCWEQSC-CABCVRRESA-N 1 3 341.500 -0.428 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000569677950 377088832 /nfs/dbraw/zinc/08/88/32/377088832.db2.gz KWPMOJDDCWEQSC-LSDHHAIUSA-N 1 3 341.500 -0.428 20 0 EBADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000569724288 377157053 /nfs/dbraw/zinc/15/70/53/377157053.db2.gz UUXMSAIRFKYTEL-CHWSQXEVSA-N 1 3 346.435 -0.477 20 0 EBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000569891106 377181445 /nfs/dbraw/zinc/18/14/45/377181445.db2.gz PHOONYLBMFAVSG-HZPDHXFCSA-N 1 3 342.484 -0.836 20 0 EBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000569891106 377181451 /nfs/dbraw/zinc/18/14/51/377181451.db2.gz PHOONYLBMFAVSG-HZPDHXFCSA-N 1 3 342.484 -0.836 20 0 EBADHO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000572643326 377235111 /nfs/dbraw/zinc/23/51/11/377235111.db2.gz RGQAJDUXJGGRKL-ZIAGYGMSSA-N 1 3 347.415 -0.310 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000570044759 377202278 /nfs/dbraw/zinc/20/22/78/377202278.db2.gz ZDTAVFHRTVDMSO-BFHYXJOUSA-N 1 3 328.457 -0.202 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636523488 377551173 /nfs/dbraw/zinc/55/11/73/377551173.db2.gz KNZHUSFXYISQFL-CQSZACIVSA-N 1 3 327.473 -0.622 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636523488 377551183 /nfs/dbraw/zinc/55/11/83/377551183.db2.gz KNZHUSFXYISQFL-CQSZACIVSA-N 1 3 327.473 -0.622 20 0 EBADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735939 377910355 /nfs/dbraw/zinc/91/03/55/377910355.db2.gz AIRMZZYNFWMMHF-IHRRRGAJSA-N 1 3 327.425 -0.116 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265892 377985765 /nfs/dbraw/zinc/98/57/65/377985765.db2.gz WIOVLEAOKZUMDP-HUUCEWRRSA-N 1 3 329.404 -0.257 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525959 378362099 /nfs/dbraw/zinc/36/20/99/378362099.db2.gz NJGKUCOENJCFGA-HOCLYGCPSA-N 1 3 328.416 -0.355 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000339574357 378947313 /nfs/dbraw/zinc/94/73/13/378947313.db2.gz IQOLUIZHXLIYJM-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO CC[NH+](CC)CCOCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339630867 378962263 /nfs/dbraw/zinc/96/22/63/378962263.db2.gz IPFMSBDEJDSNTC-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN(C)CCCOC)CC1 ZINC000339670500 378969582 /nfs/dbraw/zinc/96/95/82/378969582.db2.gz XESKLOPCGDMFAP-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](CN)C1 ZINC000563611087 379054453 /nfs/dbraw/zinc/05/44/53/379054453.db2.gz TYNGSBPZXXLYQS-CQSZACIVSA-N 1 3 339.484 -0.533 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339964113 379109626 /nfs/dbraw/zinc/10/96/26/379109626.db2.gz XDDYIPWHULPAAL-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)CC1=O ZINC000452794304 379098126 /nfs/dbraw/zinc/09/81/26/379098126.db2.gz GFAVFVSHNQUAKY-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CCC[N@@H+]1CC[C@@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000339971059 379113227 /nfs/dbraw/zinc/11/32/27/379113227.db2.gz ZQTUGKXDNZBXBX-ZDUSSCGKSA-N 1 3 337.472 -0.494 20 0 EBADHO CCC[N@H+]1CC[C@@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000339971059 379113232 /nfs/dbraw/zinc/11/32/32/379113232.db2.gz ZQTUGKXDNZBXBX-ZDUSSCGKSA-N 1 3 337.472 -0.494 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000629822641 379162228 /nfs/dbraw/zinc/16/22/28/379162228.db2.gz OWPWSYTXYCVDGD-UHFFFAOYSA-N 1 3 340.468 -0.103 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000629799654 379142833 /nfs/dbraw/zinc/14/28/33/379142833.db2.gz SMMVXZHWIUJLPS-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000629800098 379142948 /nfs/dbraw/zinc/14/29/48/379142948.db2.gz NRXOWJILONCKPV-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000629802523 379146725 /nfs/dbraw/zinc/14/67/25/379146725.db2.gz IXHMXVLFFDFYTO-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000629808146 379150344 /nfs/dbraw/zinc/15/03/44/379150344.db2.gz GKDSIMFLKICQLZ-CQSZACIVSA-N 1 3 340.468 -0.105 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458441494 379224326 /nfs/dbraw/zinc/22/43/26/379224326.db2.gz SCEASWGBLBEYQC-GJZGRUSLSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458441494 379224332 /nfs/dbraw/zinc/22/43/32/379224332.db2.gz SCEASWGBLBEYQC-GJZGRUSLSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312056 379303163 /nfs/dbraw/zinc/30/31/63/379303163.db2.gz NWYQZMNDQXTGDL-UONOGXRCSA-N 1 3 340.468 -0.153 20 0 EBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312054 379304242 /nfs/dbraw/zinc/30/42/42/379304242.db2.gz NWYQZMNDQXTGDL-KBPBESRZSA-N 1 3 340.468 -0.153 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621844388 379366584 /nfs/dbraw/zinc/36/65/84/379366584.db2.gz QVHZVRWXIAIQDN-BBRMVZONSA-N 1 3 326.441 -0.589 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CCO1 ZINC000642644435 379552404 /nfs/dbraw/zinc/55/24/04/379552404.db2.gz FWKCQUCXBLYNOU-RBSFLKMASA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452584 379603357 /nfs/dbraw/zinc/60/33/57/379603357.db2.gz OHQMSUZPIOVHAG-KBPBESRZSA-N 1 3 340.468 -0.010 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000627357809 379562164 /nfs/dbraw/zinc/56/21/64/379562164.db2.gz QXFZOZGTIVBYPF-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCOCCC[NH3+])CCSC1 ZINC000627370470 379568445 /nfs/dbraw/zinc/56/84/45/379568445.db2.gz ANHANOAAZIIMRG-CQSZACIVSA-N 1 3 332.470 -0.979 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[NH2+]1 ZINC000627370984 379569335 /nfs/dbraw/zinc/56/93/35/379569335.db2.gz SDARUFWXPZDJKI-LALPHHSUSA-N 1 3 328.482 -0.203 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CCOCC[NH3+] ZINC000626964013 379767900 /nfs/dbraw/zinc/76/79/00/379767900.db2.gz HQDQGQIGBUESPB-AWEZNQCLSA-N 1 3 343.472 -0.454 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000626974348 379767991 /nfs/dbraw/zinc/76/79/91/379767991.db2.gz RGIGCBLQESLGIT-GXTWGEPZSA-N 1 3 325.457 -0.021 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CCOCC[NH3+] ZINC000626964014 379768215 /nfs/dbraw/zinc/76/82/15/379768215.db2.gz HQDQGQIGBUESPB-CQSZACIVSA-N 1 3 343.472 -0.454 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000631931796 379785175 /nfs/dbraw/zinc/78/51/75/379785175.db2.gz NTZQGQFHTOMTQW-ZDUSSCGKSA-N 1 3 334.486 -0.413 20 0 EBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000631943403 379788332 /nfs/dbraw/zinc/78/83/32/379788332.db2.gz VJEWMWUVAAYOBE-OAHLLOKOSA-N 1 3 339.465 -0.044 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000627176394 379820421 /nfs/dbraw/zinc/82/04/21/379820421.db2.gz SOFGRPADEMAYIO-UHFFFAOYSA-N 1 3 328.457 -0.024 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638091159 380117658 /nfs/dbraw/zinc/11/76/58/380117658.db2.gz QLSSNJKGEQMVRT-IAGOWNOFSA-N 1 3 337.512 -0.091 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000355277510 380179010 /nfs/dbraw/zinc/17/90/10/380179010.db2.gz VZSICUVHDMGDEX-OAHLLOKOSA-N 1 3 341.500 -0.461 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000553308979 380322938 /nfs/dbraw/zinc/32/29/38/380322938.db2.gz HAFQNXSZTIUJDA-LBPRGKRZSA-N 1 3 335.456 -0.742 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000553308979 380322944 /nfs/dbraw/zinc/32/29/44/380322944.db2.gz HAFQNXSZTIUJDA-LBPRGKRZSA-N 1 3 335.456 -0.742 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564430385 380371965 /nfs/dbraw/zinc/37/19/65/380371965.db2.gz COQYMAOJTCEMFZ-HOTGVXAUSA-N 1 3 339.484 -0.214 20 0 EBADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249378 380509657 /nfs/dbraw/zinc/50/96/57/380509657.db2.gz BSBILSRQDCMYJA-DZGCQCFKSA-N 1 3 346.497 -0.113 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479777 380511674 /nfs/dbraw/zinc/51/16/74/380511674.db2.gz NAHSZBXSEJEHBE-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479777 380511677 /nfs/dbraw/zinc/51/16/77/380511677.db2.gz NAHSZBXSEJEHBE-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CO[C@H](CN)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000290196903 380463950 /nfs/dbraw/zinc/46/39/50/380463950.db2.gz QWEJLFHWYRRKBI-HZPDHXFCSA-N 1 3 348.447 -0.026 20 0 EBADHO CO[C@H](CN)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000290196903 380463957 /nfs/dbraw/zinc/46/39/57/380463957.db2.gz QWEJLFHWYRRKBI-HZPDHXFCSA-N 1 3 348.447 -0.026 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000534491653 380583350 /nfs/dbraw/zinc/58/33/50/380583350.db2.gz LHUQABZAAVLBMC-UHFFFAOYSA-N 1 3 348.513 -0.054 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567908994 380557987 /nfs/dbraw/zinc/55/79/87/380557987.db2.gz WTKJZDSLWUFWTR-XUJLQICISA-N 1 3 339.484 -0.582 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287770 380593202 /nfs/dbraw/zinc/59/32/02/380593202.db2.gz JPWSRTGWJIYJFP-FVQBIDKESA-N 1 3 343.431 -0.173 20 0 EBADHO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)N2CCN(C)CC2)CC1 ZINC000121004704 380595182 /nfs/dbraw/zinc/59/51/82/380595182.db2.gz SGOIUXUWEXZJET-HNNXBMFYSA-N 1 3 326.485 -0.215 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000535011528 380599962 /nfs/dbraw/zinc/59/99/62/380599962.db2.gz FQTNMSPJIXFRBZ-UHFFFAOYSA-N 1 3 347.423 -0.606 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534907 380607767 /nfs/dbraw/zinc/60/77/67/380607767.db2.gz LEOYVZZCNFCDBW-CABCVRRESA-N 1 3 335.452 -0.186 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000576123239 380758193 /nfs/dbraw/zinc/75/81/93/380758193.db2.gz ALFQPRXODSMNEC-UONOGXRCSA-N 1 3 326.441 -0.591 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575984457 380752797 /nfs/dbraw/zinc/75/27/97/380752797.db2.gz VLEUSCCMPQCUGD-KBPBESRZSA-N 1 3 336.440 -0.129 20 0 EBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000577373662 380820879 /nfs/dbraw/zinc/82/08/79/380820879.db2.gz WRQXOTNHYVWQFA-HUUCEWRRSA-N 1 3 337.468 -0.920 20 0 EBADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000577373662 380820883 /nfs/dbraw/zinc/82/08/83/380820883.db2.gz WRQXOTNHYVWQFA-HUUCEWRRSA-N 1 3 337.468 -0.920 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000578005258 380870173 /nfs/dbraw/zinc/87/01/73/380870173.db2.gz XEIIRLSKRIXFJI-LSDHHAIUSA-N 1 3 337.468 -0.826 20 0 EBADHO CN(C)c1ncc(C[NH2+]CCCCN2CCN(CCO)CC2)n1C ZINC000425337885 380835425 /nfs/dbraw/zinc/83/54/25/380835425.db2.gz AKRKHRPFCLEHDK-UHFFFAOYSA-N 1 3 338.500 -0.034 20 0 EBADHO CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000577739102 380839335 /nfs/dbraw/zinc/83/93/35/380839335.db2.gz BVHSBNGUHOHMMX-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(N2CCNCC2)ccn1 ZINC000638983558 380849572 /nfs/dbraw/zinc/84/95/72/380849572.db2.gz BZBQGCQUEKGNJH-CYBMUJFWSA-N 1 3 332.408 -0.702 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339281 380923618 /nfs/dbraw/zinc/92/36/18/380923618.db2.gz BVNSIERJASNMSA-LSDHHAIUSA-N 1 3 346.435 -0.485 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670127 380945620 /nfs/dbraw/zinc/94/56/20/380945620.db2.gz ZFJJJMMDQWFADE-JKSUJKDBSA-N 1 3 328.416 -0.241 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669384 380945772 /nfs/dbraw/zinc/94/57/72/380945772.db2.gz KJEIKTWTUVKVBD-RRFJBIMHSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000578669384 380945781 /nfs/dbraw/zinc/94/57/81/380945781.db2.gz KJEIKTWTUVKVBD-RRFJBIMHSA-N 1 3 335.452 -0.043 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581364127 381070803 /nfs/dbraw/zinc/07/08/03/381070803.db2.gz BGDWYLSBTNENSZ-LSDHHAIUSA-N 1 3 339.484 -0.994 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581364125 381071055 /nfs/dbraw/zinc/07/10/55/381071055.db2.gz BGDWYLSBTNENSZ-GJZGRUSLSA-N 1 3 339.484 -0.994 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@@H](CN)C1 ZINC000580768546 381033313 /nfs/dbraw/zinc/03/33/13/381033313.db2.gz RTPTYSRGAGBXPR-SOUVJXGZSA-N 1 3 337.468 -0.970 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[C@@H](CN)C1 ZINC000580768546 381033319 /nfs/dbraw/zinc/03/33/19/381033319.db2.gz RTPTYSRGAGBXPR-SOUVJXGZSA-N 1 3 337.468 -0.970 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418373225 381111419 /nfs/dbraw/zinc/11/14/19/381111419.db2.gz ZLBYLBPLBAHILM-UONOGXRCSA-N 1 3 325.457 -0.210 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1nnc2ccccc2c1=O ZINC000103211123 381167216 /nfs/dbraw/zinc/16/72/16/381167216.db2.gz WGALTCLAJYHQRA-UHFFFAOYSA-N 1 3 346.435 -0.257 20 0 EBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000583802300 381143474 /nfs/dbraw/zinc/14/34/74/381143474.db2.gz OUWJELKGVCOORS-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541258 381180347 /nfs/dbraw/zinc/18/03/47/381180347.db2.gz ANYDLDLOBUUUEO-NWANDNLSSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541258 381180354 /nfs/dbraw/zinc/18/03/54/381180354.db2.gz ANYDLDLOBUUUEO-NWANDNLSSA-N 1 3 335.452 -0.043 20 0 EBADHO C[C@H](CNC(=O)[C@H](C)CN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000347663404 381243058 /nfs/dbraw/zinc/24/30/58/381243058.db2.gz DYJFXACITDPNPM-HZPDHXFCSA-N 1 3 326.485 -0.046 20 0 EBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000633149957 381291273 /nfs/dbraw/zinc/29/12/73/381291273.db2.gz XYHYAKJOLAFTFR-KBPBESRZSA-N 1 3 325.457 -0.970 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N1CCCCC1 ZINC000418846609 381302393 /nfs/dbraw/zinc/30/23/93/381302393.db2.gz YPVJNYJZNVJSSK-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418849667 381305584 /nfs/dbraw/zinc/30/55/84/381305584.db2.gz DDBVLYACKYOWLY-IXDOHACOSA-N 1 3 344.459 -0.047 20 0 EBADHO COCCNCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418911239 381343767 /nfs/dbraw/zinc/34/37/67/381343767.db2.gz CKWSAUXPDJFVSO-RHSMWYFYSA-N 1 3 342.484 -0.035 20 0 EBADHO C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000418990472 381349494 /nfs/dbraw/zinc/34/94/94/381349494.db2.gz CNYRMQUGRNOWRC-INIZCTEOSA-N 1 3 348.447 -0.271 20 0 EBADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000418990472 381349506 /nfs/dbraw/zinc/34/95/06/381349506.db2.gz CNYRMQUGRNOWRC-INIZCTEOSA-N 1 3 348.447 -0.271 20 0 EBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccn1 ZINC000418955887 381350644 /nfs/dbraw/zinc/35/06/44/381350644.db2.gz RGQUFNFKZLAMLF-CQSZACIVSA-N 1 3 349.435 -0.412 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000419188854 381403936 /nfs/dbraw/zinc/40/39/36/381403936.db2.gz SYEAPUVFALYKRR-AWEZNQCLSA-N 1 3 339.484 -0.532 20 0 EBADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419168099 381390768 /nfs/dbraw/zinc/39/07/68/381390768.db2.gz JZTIWCFIHGWUTJ-LSDHHAIUSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145592 381397489 /nfs/dbraw/zinc/39/74/89/381397489.db2.gz GTCKAMRSOXVUEB-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419230935 381402226 /nfs/dbraw/zinc/40/22/26/381402226.db2.gz QMKXMGCEVXBEOY-HUUCEWRRSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419230935 381402238 /nfs/dbraw/zinc/40/22/38/381402238.db2.gz QMKXMGCEVXBEOY-HUUCEWRRSA-N 1 3 338.452 -0.528 20 0 EBADHO CC[NH2+]CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419380072 381431995 /nfs/dbraw/zinc/43/19/95/381431995.db2.gz XAMYBWRZKIYAEQ-UHFFFAOYSA-N 1 3 332.448 -0.073 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419432639 381436605 /nfs/dbraw/zinc/43/66/05/381436605.db2.gz YKAQNNLZDHAMPR-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C1CC1 ZINC000419520904 381443505 /nfs/dbraw/zinc/44/35/05/381443505.db2.gz ISLPCJJAOQYWPB-AAEUAGOBSA-N 1 3 326.441 -0.184 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C1CC1 ZINC000419520904 381443509 /nfs/dbraw/zinc/44/35/09/381443509.db2.gz ISLPCJJAOQYWPB-AAEUAGOBSA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419574767 381455261 /nfs/dbraw/zinc/45/52/61/381455261.db2.gz ABBDQCSFULTPRV-TYNCELHUSA-N 1 3 328.482 -0.346 20 0 EBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419579394 381459257 /nfs/dbraw/zinc/45/92/57/381459257.db2.gz HFKDLFDMSIHAHA-SWLSCSKDSA-N 1 3 328.482 -0.250 20 0 EBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419579393 381459565 /nfs/dbraw/zinc/45/95/65/381459565.db2.gz HFKDLFDMSIHAHA-IUODEOHRSA-N 1 3 328.482 -0.250 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000419889842 381517390 /nfs/dbraw/zinc/51/73/90/381517390.db2.gz SFZOXNGRGQGIDY-LSDHHAIUSA-N 1 3 339.484 -0.756 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419771827 381488848 /nfs/dbraw/zinc/48/88/48/381488848.db2.gz HIDXGVHJKWFEJS-AWEZNQCLSA-N 1 3 339.484 -0.756 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419782058 381493806 /nfs/dbraw/zinc/49/38/06/381493806.db2.gz STERVWBTAZPBJB-QWHCGFSZSA-N 1 3 326.441 -0.672 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419782510 381494785 /nfs/dbraw/zinc/49/47/85/381494785.db2.gz UIWUWBJXLOUCKW-CHWSQXEVSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CCCCC1 ZINC000419816994 381497185 /nfs/dbraw/zinc/49/71/85/381497185.db2.gz LTHWLFARJYQYCI-ZDUSSCGKSA-N 1 3 326.441 -0.528 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837674 381501131 /nfs/dbraw/zinc/50/11/31/381501131.db2.gz DEBUCHCBNBLSPV-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000420029959 381532373 /nfs/dbraw/zinc/53/23/73/381532373.db2.gz FYLVFRBLBBVBJT-YNEHKIRRSA-N 1 3 326.441 -0.232 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420037906 381534793 /nfs/dbraw/zinc/53/47/93/381534793.db2.gz MKJJSJNNMUJLRQ-XQQFMLRXSA-N 1 3 326.441 -0.184 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420037906 381534799 /nfs/dbraw/zinc/53/47/99/381534799.db2.gz MKJJSJNNMUJLRQ-XQQFMLRXSA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189273 381565027 /nfs/dbraw/zinc/56/50/27/381565027.db2.gz NYVVMWNZJSZQTQ-RBSFLKMASA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000420204716 381569282 /nfs/dbraw/zinc/56/92/82/381569282.db2.gz SRJMFLSYNQFSJN-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643482847 381608708 /nfs/dbraw/zinc/60/87/08/381608708.db2.gz CQWHGBXHEQUFAO-UONOGXRCSA-N 1 3 328.457 -0.393 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000571744970 381618617 /nfs/dbraw/zinc/61/86/17/381618617.db2.gz BEMQGNSGVMDKKV-JKSUJKDBSA-N 1 3 339.484 -0.214 20 0 EBADHO C[C@H](O)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000582227322 381621549 /nfs/dbraw/zinc/62/15/49/381621549.db2.gz DGXQLKFPNBNOEW-AWEZNQCLSA-N 1 3 342.484 -0.442 20 0 EBADHO C[C@@H]1CN(CCCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000351542272 381642100 /nfs/dbraw/zinc/64/21/00/381642100.db2.gz QVNFFFFRGOKYON-KFWWJZLASA-N 1 3 340.468 -0.140 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000331943825 381733710 /nfs/dbraw/zinc/73/37/10/381733710.db2.gz IQJVENJYPPLPSM-KGLIPLIRSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCO1 ZINC000643500655 381908517 /nfs/dbraw/zinc/90/85/17/381908517.db2.gz SBJRCLFVOGKOEO-KGLIPLIRSA-N 1 3 340.468 -0.106 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000643503547 381915676 /nfs/dbraw/zinc/91/56/76/381915676.db2.gz VOVARWKMURPGGA-OAHLLOKOSA-N 1 3 338.452 -0.351 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCO1 ZINC000643510623 381960597 /nfs/dbraw/zinc/96/05/97/381960597.db2.gz CXFOUYQJWOPTSL-RRFJBIMHSA-N 1 3 338.452 -0.352 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000643513562 381994829 /nfs/dbraw/zinc/99/48/29/381994829.db2.gz OVYZGVWWXBXWKX-GJZGRUSLSA-N 1 3 337.468 -0.826 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@H]1[NH+](C)C ZINC000331432001 155369902 /nfs/dbraw/zinc/36/99/02/155369902.db2.gz UHFLOICFQOBBGB-FAAHXZRKSA-N 1 3 348.451 -0.918 20 0 EBADHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000195519276 154165788 /nfs/dbraw/zinc/16/57/88/154165788.db2.gz LFHTXVBFWASXIS-UHFFFAOYSA-N 1 3 340.468 -0.375 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262945622 154251137 /nfs/dbraw/zinc/25/11/37/154251137.db2.gz ASCAVTRQZNZYOP-ZFWWWQNUSA-N 1 3 327.473 -0.772 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000263227860 154256602 /nfs/dbraw/zinc/25/66/02/154256602.db2.gz GZPAKHGNWBLQFP-HNNXBMFYSA-N 1 3 327.473 -0.772 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC1 ZINC000343282934 156119709 /nfs/dbraw/zinc/11/97/09/156119709.db2.gz BAUWVVXZKXOEAR-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC1 ZINC000343282934 156119712 /nfs/dbraw/zinc/11/97/12/156119712.db2.gz BAUWVVXZKXOEAR-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343303869 156123056 /nfs/dbraw/zinc/12/30/56/156123056.db2.gz QMZARQRBGNRKMW-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000343824181 156170043 /nfs/dbraw/zinc/17/00/43/156170043.db2.gz ARORLTSCNKRHAJ-GJZGRUSLSA-N 1 3 340.468 -0.105 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000343824181 156170050 /nfs/dbraw/zinc/17/00/50/156170050.db2.gz ARORLTSCNKRHAJ-GJZGRUSLSA-N 1 3 340.468 -0.105 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345245011 156315959 /nfs/dbraw/zinc/31/59/59/156315959.db2.gz COWRVMMDAVRAAL-SQNIBIBYSA-N 1 3 349.523 -0.139 20 0 EBADHO COC[C@]1(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCC[NH2+]1 ZINC000357256275 157129254 /nfs/dbraw/zinc/12/92/54/157129254.db2.gz KCRCCYLLVYHBET-CZUORRHYSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000357904731 157184958 /nfs/dbraw/zinc/18/49/58/157184958.db2.gz HHCJYCIEOCEJQW-CABCVRRESA-N 1 3 334.420 -0.683 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000357904743 157185188 /nfs/dbraw/zinc/18/51/88/157185188.db2.gz HHCJYCIEOCEJQW-LSDHHAIUSA-N 1 3 334.420 -0.683 20 0 EBADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000358503325 157250192 /nfs/dbraw/zinc/25/01/92/157250192.db2.gz QBOGEOVJEDEYSN-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000358571708 157264464 /nfs/dbraw/zinc/26/44/64/157264464.db2.gz PJDWHKZUQRCKJK-MRXNPFEDSA-N 1 3 341.500 -0.230 20 0 EBADHO C[N@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000358571708 157264466 /nfs/dbraw/zinc/26/44/66/157264466.db2.gz PJDWHKZUQRCKJK-MRXNPFEDSA-N 1 3 341.500 -0.230 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000650858810 419082480 /nfs/dbraw/zinc/08/24/80/419082480.db2.gz HUROAHGWCLGDSV-AWEZNQCLSA-N 1 3 325.457 -0.256 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000650858810 419082483 /nfs/dbraw/zinc/08/24/83/419082483.db2.gz HUROAHGWCLGDSV-AWEZNQCLSA-N 1 3 325.457 -0.256 20 0 EBADHO CCN(CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1)C1CC1 ZINC000652684848 419253524 /nfs/dbraw/zinc/25/35/24/419253524.db2.gz YZLJIBFMOJDPQJ-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO Cn1c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361660 419234204 /nfs/dbraw/zinc/23/42/04/419234204.db2.gz LWLMFBWMHBKCRV-YUELXQCFSA-N 1 3 336.436 -0.055 20 0 EBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652620169 419241736 /nfs/dbraw/zinc/24/17/36/419241736.db2.gz BSBIGSGDSYLTMJ-ZDUSSCGKSA-N 1 3 336.440 -0.159 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000645233532 419301063 /nfs/dbraw/zinc/30/10/63/419301063.db2.gz KWYPNQORCPCCCY-ZIAGYGMSSA-N 1 3 341.456 -0.532 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C(C)C)C[C@H]1C[NH3+] ZINC000652730498 419329063 /nfs/dbraw/zinc/32/90/63/419329063.db2.gz DFVGKANNLZFFTE-ZIAGYGMSSA-N 1 3 328.457 -0.393 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H]1C[NH3+] ZINC000652733173 419340123 /nfs/dbraw/zinc/34/01/23/419340123.db2.gz AOETZUQAFOKPTB-MGPQQGTHSA-N 1 3 326.441 -0.639 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000652731245 419331226 /nfs/dbraw/zinc/33/12/26/419331226.db2.gz FLFCDWQTSDHQRT-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000342407099 419396370 /nfs/dbraw/zinc/39/63/70/419396370.db2.gz ICPBMNOOELBCSL-ZDUSSCGKSA-N 1 3 337.472 -0.282 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000342407099 419396375 /nfs/dbraw/zinc/39/63/75/419396375.db2.gz ICPBMNOOELBCSL-ZDUSSCGKSA-N 1 3 337.472 -0.282 20 0 EBADHO CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000645625043 419774408 /nfs/dbraw/zinc/77/44/08/419774408.db2.gz VGOAVBJEMUWKLU-GXTWGEPZSA-N 1 3 334.424 -0.454 20 0 EBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419947955 419828030 /nfs/dbraw/zinc/82/80/30/419828030.db2.gz YFOOWAQFQABVRK-UONOGXRCSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)CC1 ZINC000420018997 419831103 /nfs/dbraw/zinc/83/11/03/419831103.db2.gz ZKYBIPOIJORBNI-CQSZACIVSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422977187 419915316 /nfs/dbraw/zinc/91/53/16/419915316.db2.gz WHLPXWJSFUEJIU-YNEHKIRRSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422977187 419915320 /nfs/dbraw/zinc/91/53/20/419915320.db2.gz WHLPXWJSFUEJIU-YNEHKIRRSA-N 1 3 326.441 -0.232 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423266054 419930089 /nfs/dbraw/zinc/93/00/89/419930089.db2.gz RRCDHVORSFFFEE-ZIAGYGMSSA-N 1 3 326.441 -0.909 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000516570620 420660203 /nfs/dbraw/zinc/66/02/03/420660203.db2.gz CGSQAFGSFSMGAT-STQMWFEESA-N 1 3 349.435 -0.019 20 0 EBADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(O)(C[NH3+])CC2)C1 ZINC000517238895 420698319 /nfs/dbraw/zinc/69/83/19/420698319.db2.gz JAPMCJWFWBAPQF-HNNXBMFYSA-N 1 3 342.484 -0.755 20 0 EBADHO COC[C@@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000519602384 420807172 /nfs/dbraw/zinc/80/71/72/420807172.db2.gz WCBQZMZUQJDXEI-QGZVFWFLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659677066 421013598 /nfs/dbraw/zinc/01/35/98/421013598.db2.gz MOXQOEUZSYKSFP-CJNGLKHVSA-N 1 3 348.447 -0.407 20 0 EBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659719564 421021349 /nfs/dbraw/zinc/02/13/49/421021349.db2.gz WNBHTNOVMTWIJI-LSDHHAIUSA-N 1 3 340.468 -0.155 20 0 EBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659722332 421021545 /nfs/dbraw/zinc/02/15/45/421021545.db2.gz DMXGTXROTGOSMW-OLZOCXBDSA-N 1 3 326.441 -0.530 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000659719510 421021949 /nfs/dbraw/zinc/02/19/49/421021949.db2.gz YNLXBDVAAQJPRX-FRRDWIJNSA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000659719510 421021952 /nfs/dbraw/zinc/02/19/52/421021952.db2.gz YNLXBDVAAQJPRX-FRRDWIJNSA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000659719510 421021957 /nfs/dbraw/zinc/02/19/57/421021957.db2.gz YNLXBDVAAQJPRX-FRRDWIJNSA-N 1 3 326.441 -0.184 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731983 421023761 /nfs/dbraw/zinc/02/37/61/421023761.db2.gz HTOLEDXRXNELKV-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662724366 421096527 /nfs/dbraw/zinc/09/65/27/421096527.db2.gz OEIZDFVDNXSFRR-JKSUJKDBSA-N 1 3 348.447 -0.042 20 0 EBADHO [NH3+]CCn1cc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)nn1 ZINC000662859171 421104511 /nfs/dbraw/zinc/10/45/11/421104511.db2.gz KVBRHDKACVEPDE-OAHLLOKOSA-N 1 3 344.419 -0.267 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCO1 ZINC000662948729 421115655 /nfs/dbraw/zinc/11/56/55/421115655.db2.gz ZWYDUECUYSUCPP-HUUCEWRRSA-N 1 3 340.468 -0.105 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc(C(N)=O)no1 ZINC000664508116 421157129 /nfs/dbraw/zinc/15/71/29/421157129.db2.gz DCGBVWGHXRDBTC-NSHDSACASA-N 1 3 340.428 -0.155 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc(C(N)=O)no1 ZINC000664508116 421157133 /nfs/dbraw/zinc/15/71/33/421157133.db2.gz DCGBVWGHXRDBTC-NSHDSACASA-N 1 3 340.428 -0.155 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000665188009 421176369 /nfs/dbraw/zinc/17/63/69/421176369.db2.gz URVHNHSOAJQVHZ-QWHCGFSZSA-N 1 3 341.456 -0.295 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000665188009 421176371 /nfs/dbraw/zinc/17/63/71/421176371.db2.gz URVHNHSOAJQVHZ-QWHCGFSZSA-N 1 3 341.456 -0.295 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H]1C[NH3+] ZINC000419590178 264880211 /nfs/dbraw/zinc/88/02/11/264880211.db2.gz SZHWYAMFUHTTQM-DVOMOZLQSA-N 1 3 342.509 -0.017 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419921965 264905265 /nfs/dbraw/zinc/90/52/65/264905265.db2.gz YSEHKCZDIAKTCB-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423371246 265000656 /nfs/dbraw/zinc/00/06/56/265000656.db2.gz FHAMWJSJSPOQMJ-GFCCVEGCSA-N 1 3 333.392 -0.702 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CCN1 ZINC000423675292 265031566 /nfs/dbraw/zinc/03/15/66/265031566.db2.gz HQEHDSJAAHNPPR-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCN1 ZINC000423675292 265031571 /nfs/dbraw/zinc/03/15/71/265031571.db2.gz HQEHDSJAAHNPPR-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCN1 ZINC000423675292 265031573 /nfs/dbraw/zinc/03/15/73/265031573.db2.gz HQEHDSJAAHNPPR-AWEZNQCLSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@H]1CC2(CN1C(=O)C(=O)NCCOCCN(C)C)CC[NH2+]CC2 ZINC000424518388 265071171 /nfs/dbraw/zinc/07/11/71/265071171.db2.gz HTFUBWXGFNFPNX-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430647891 265152276 /nfs/dbraw/zinc/15/22/76/265152276.db2.gz QQVFGKXFNBXQIT-LSDHHAIUSA-N 1 3 339.484 -0.674 20 0 EBADHO CN1CCN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1(C)C ZINC000442592651 265325033 /nfs/dbraw/zinc/32/50/33/265325033.db2.gz GYYVINCZYRZSLC-INIZCTEOSA-N 1 3 329.489 -0.376 20 0 EBADHO CN1CCN(CCNC(=O)NCCOCC[NH+](C)C)CC1(C)C ZINC000442586418 265326025 /nfs/dbraw/zinc/32/60/25/265326025.db2.gz SRMWCTTVAPODCM-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420095976 272819246 /nfs/dbraw/zinc/81/92/46/272819246.db2.gz UADRYTNBLPDNLN-UHFFFAOYSA-N 1 3 347.419 -0.264 20 0 EBADHO CC(C)[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000358681798 280246821 /nfs/dbraw/zinc/24/68/21/280246821.db2.gz QBHXYYDXRDQUOX-RDJZCZTQSA-N 1 3 341.500 -0.376 20 0 EBADHO CC(C)[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000358681798 280246822 /nfs/dbraw/zinc/24/68/22/280246822.db2.gz QBHXYYDXRDQUOX-RDJZCZTQSA-N 1 3 341.500 -0.376 20 0 EBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000195519452 289160785 /nfs/dbraw/zinc/16/07/85/289160785.db2.gz QSKYKTPNUBBWCA-INIZCTEOSA-N 1 3 342.484 -0.931 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000668633892 545725677 /nfs/dbraw/zinc/72/56/77/545725677.db2.gz UCYMAEZJDAVVRC-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126992540 545738546 /nfs/dbraw/zinc/73/85/46/545738546.db2.gz HXBBUZSTUWYSTH-CQSZACIVSA-N 1 3 336.440 -0.016 20 0 EBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000669491327 545881738 /nfs/dbraw/zinc/88/17/38/545881738.db2.gz VOEDIBGZEXCFLH-GJZGRUSLSA-N 1 3 337.468 -0.033 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(F)cn1 ZINC000672825228 546121532 /nfs/dbraw/zinc/12/15/32/546121532.db2.gz WOWMICWROAUNFQ-UHFFFAOYSA-N 1 3 339.415 -0.211 20 0 EBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000673352032 546137398 /nfs/dbraw/zinc/13/73/98/546137398.db2.gz KUVKOMAMCYOFIL-AWEZNQCLSA-N 1 3 328.457 -0.330 20 0 EBADHO CN(C(=O)CN1CCN(C)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669706 546146712 /nfs/dbraw/zinc/14/67/12/546146712.db2.gz NFSNMQFYAKGQJS-KRWDZBQOSA-N 1 3 337.512 -0.139 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000681167403 546300493 /nfs/dbraw/zinc/30/04/93/546300493.db2.gz LNBQWYASLWMKTL-WNRNVDISSA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000681167403 546300496 /nfs/dbraw/zinc/30/04/96/546300496.db2.gz LNBQWYASLWMKTL-WNRNVDISSA-N 1 3 336.432 -0.458 20 0 EBADHO CCN1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000897420025 582685682 /nfs/dbraw/zinc/68/56/82/582685682.db2.gz JQCCTYHPIUIREP-OAHLLOKOSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@@H]1CC[N@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000897466180 582690025 /nfs/dbraw/zinc/69/00/25/582690025.db2.gz PNGIVNKESDDBDJ-CQSZACIVSA-N 1 3 327.473 -0.010 20 0 EBADHO C[C@@H]1CC[N@@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000897466180 582690027 /nfs/dbraw/zinc/69/00/27/582690027.db2.gz PNGIVNKESDDBDJ-CQSZACIVSA-N 1 3 327.473 -0.010 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000900693482 582779473 /nfs/dbraw/zinc/77/94/73/582779473.db2.gz UFVSNXFZRRKKQE-WBVHZDCISA-N 1 3 326.485 -0.074 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000900693482 582779474 /nfs/dbraw/zinc/77/94/74/582779474.db2.gz UFVSNXFZRRKKQE-WBVHZDCISA-N 1 3 326.485 -0.074 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000900693482 582779476 /nfs/dbraw/zinc/77/94/76/582779476.db2.gz UFVSNXFZRRKKQE-WBVHZDCISA-N 1 3 326.485 -0.074 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC000900833337 582783452 /nfs/dbraw/zinc/78/34/52/582783452.db2.gz YGQHOJXUWRRPQM-UHFFFAOYSA-N 1 3 334.424 -0.405 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735770 582815898 /nfs/dbraw/zinc/81/58/98/582815898.db2.gz DJZUXKZFJZZCCC-WMZOPIPTSA-N 1 3 336.480 -0.005 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903738343 582816408 /nfs/dbraw/zinc/81/64/08/582816408.db2.gz KDUZCHIWWAXUAT-CQSZACIVSA-N 1 3 342.484 -0.001 20 0 EBADHO O=C(CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCOCC1 ZINC000903876989 582822722 /nfs/dbraw/zinc/82/27/22/582822722.db2.gz JQTHWXYISCMSFI-ALOPSCKCSA-N 1 3 336.480 -0.007 20 0 EBADHO Cc1c(C[C@@H](CN)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933935 582823700 /nfs/dbraw/zinc/82/37/00/582823700.db2.gz BKRAQCGRXBIHMU-AFAVFJNCSA-N 1 3 333.436 -0.169 20 0 EBADHO Cc1c(C[C@@H](CN)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933935 582823701 /nfs/dbraw/zinc/82/37/01/582823701.db2.gz BKRAQCGRXBIHMU-AFAVFJNCSA-N 1 3 333.436 -0.169 20 0 EBADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804031472 583636107 /nfs/dbraw/zinc/63/61/07/583636107.db2.gz HBHNJFCTIRANQH-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804031472 583636109 /nfs/dbraw/zinc/63/61/09/583636109.db2.gz HBHNJFCTIRANQH-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804058362 583640574 /nfs/dbraw/zinc/64/05/74/583640574.db2.gz ZYYOBVPTSNUQHG-ZNMIVQPWSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804058362 583640575 /nfs/dbraw/zinc/64/05/75/583640575.db2.gz ZYYOBVPTSNUQHG-ZNMIVQPWSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842016248 584056325 /nfs/dbraw/zinc/05/63/25/584056325.db2.gz SNCCRTAODVBVRL-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842016255 584056365 /nfs/dbraw/zinc/05/63/65/584056365.db2.gz SNCCRTAODVBVRL-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842165093 584058639 /nfs/dbraw/zinc/05/86/39/584058639.db2.gz RGVQHPVXDIHFRB-OLZOCXBDSA-N 1 3 326.441 -0.401 20 0 EBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842165095 584058921 /nfs/dbraw/zinc/05/89/21/584058921.db2.gz RGVQHPVXDIHFRB-STQMWFEESA-N 1 3 326.441 -0.401 20 0 EBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)NC(C)C ZINC000849104029 584165972 /nfs/dbraw/zinc/16/59/72/584165972.db2.gz JKPGXWPNUQMLID-GFCCVEGCSA-N 1 3 334.490 -0.583 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000851684923 584198348 /nfs/dbraw/zinc/19/83/48/584198348.db2.gz NDSLLFPWVMUQKX-BFHYXJOUSA-N 1 3 326.441 -0.545 20 0 EBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874406 584218572 /nfs/dbraw/zinc/21/85/72/584218572.db2.gz OYFGNLMAIXNVFG-AVGNSLFASA-N 1 3 337.424 -0.803 20 0 EBADHO NC[C@@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)=NO1 ZINC000852902374 584219694 /nfs/dbraw/zinc/21/96/94/584219694.db2.gz DRDBEWGQUIYLBV-CABCVRRESA-N 1 3 332.404 -0.027 20 0 EBADHO NC[C@@H]1CC(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)=NO1 ZINC000852902374 584219695 /nfs/dbraw/zinc/21/96/95/584219695.db2.gz DRDBEWGQUIYLBV-CABCVRRESA-N 1 3 332.404 -0.027 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CCO1 ZINC000868407581 584428666 /nfs/dbraw/zinc/42/86/66/584428666.db2.gz XWSAATKIIMANAF-STQMWFEESA-N 1 3 326.441 -0.496 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000873108366 584473146 /nfs/dbraw/zinc/47/31/46/584473146.db2.gz IMTDJNYGHFTEQC-BLLLJJGKSA-N 1 3 334.424 -0.549 20 0 EBADHO COC[C@@]1(C(=O)NCC2CC[NH+](CCN(C)C)CC2)CNCCO1 ZINC000876737067 584522013 /nfs/dbraw/zinc/52/20/13/584522013.db2.gz PIJLXDYFPJTRBD-QGZVFWFLSA-N 1 3 342.484 -0.619 20 0 EBADHO COC[C@@]1(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CNCCO1 ZINC000876737067 584522015 /nfs/dbraw/zinc/52/20/15/584522015.db2.gz PIJLXDYFPJTRBD-QGZVFWFLSA-N 1 3 342.484 -0.619 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC000883638716 584604051 /nfs/dbraw/zinc/60/40/51/584604051.db2.gz VCJUMTIWCGNHRN-KGLIPLIRSA-N 1 3 331.420 -0.061 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCNC1=O ZINC000889333195 584608428 /nfs/dbraw/zinc/60/84/28/584608428.db2.gz WNPMHHQIGDBBIL-ZDUSSCGKSA-N 1 3 328.461 -0.417 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCNC1=O ZINC000889333195 584608431 /nfs/dbraw/zinc/60/84/31/584608431.db2.gz WNPMHHQIGDBBIL-ZDUSSCGKSA-N 1 3 328.461 -0.417 20 0 EBADHO CO[C@@H](CN)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423433 584623279 /nfs/dbraw/zinc/62/32/79/584623279.db2.gz VYHQUGOQYALNGF-JSGCOSHPSA-N 1 3 336.440 -0.501 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1(C)C ZINC000884507617 584625061 /nfs/dbraw/zinc/62/50/61/584625061.db2.gz IHYKYGWKFSQZIM-UHFFFAOYSA-N 1 3 327.473 -0.628 20 0 EBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000884518759 584625665 /nfs/dbraw/zinc/62/56/65/584625665.db2.gz YZNHHNADPBTZAT-GJZGRUSLSA-N 1 3 346.431 -0.184 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884587131 584628917 /nfs/dbraw/zinc/62/89/17/584628917.db2.gz BDMCMZMDOSQNGH-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN(C)CCCOC ZINC000884587448 584628952 /nfs/dbraw/zinc/62/89/52/584628952.db2.gz IUCBPKBXXNGOGG-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000884670369 584632707 /nfs/dbraw/zinc/63/27/07/584632707.db2.gz XMHTUPILRWYXED-CABCVRRESA-N 1 3 339.484 -0.674 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1c1ccncc1 ZINC000884688285 584634449 /nfs/dbraw/zinc/63/44/49/584634449.db2.gz XXXYRNCAEIMHRG-ZIAGYGMSSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884707661 584635355 /nfs/dbraw/zinc/63/53/55/584635355.db2.gz UULBSVXGNDHFQY-WFASDCNBSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884824384 584639211 /nfs/dbraw/zinc/63/92/11/584639211.db2.gz XSKWHPHOPQPCHS-KCQAQPDRSA-N 1 3 331.420 -0.015 20 0 EBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885286483 584647205 /nfs/dbraw/zinc/64/72/05/584647205.db2.gz WQCGWWLLDURECW-NWDGAFQWSA-N 1 3 332.395 -0.052 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887088013 584676023 /nfs/dbraw/zinc/67/60/23/584676023.db2.gz JQAWRHZZFANOEZ-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000887091268 584676292 /nfs/dbraw/zinc/67/62/92/584676292.db2.gz GGGDGXAVFYHQPI-KBPBESRZSA-N 1 3 331.420 -0.074 20 0 EBADHO CC(=O)N1C[C@H]2CN([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1 ZINC000887303356 584677542 /nfs/dbraw/zinc/67/75/42/584677542.db2.gz RLNNCWFYKYADIF-ZNMIVQPWSA-N 1 3 336.436 -0.524 20 0 EBADHO CC[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000888042004 584684402 /nfs/dbraw/zinc/68/44/02/584684402.db2.gz OTUVVZOROJPHCM-LVEBTZEWSA-N 1 3 328.457 -0.333 20 0 EBADHO CC[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000888042004 584684403 /nfs/dbraw/zinc/68/44/03/584684403.db2.gz OTUVVZOROJPHCM-LVEBTZEWSA-N 1 3 328.457 -0.333 20 0 EBADHO CN1CCCN(c2nc(C(N)=O)cc(N3CCC[N@H+](C)CC3)n2)CC1 ZINC000891438676 650047483 /nfs/dbraw/zinc/04/74/83/650047483.db2.gz PXAWFJJCOCNGQN-UHFFFAOYSA-N 1 3 347.467 -0.141 20 0 EBADHO CN1CCCN(c2nc(C(N)=O)cc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000891438676 650047486 /nfs/dbraw/zinc/04/74/86/650047486.db2.gz PXAWFJJCOCNGQN-UHFFFAOYSA-N 1 3 347.467 -0.141 20 0 EBADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000904994499 650056897 /nfs/dbraw/zinc/05/68/97/650056897.db2.gz GYVBMRBWPSVZME-GJZGRUSLSA-N 1 3 336.436 -0.704 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)N1CCCCC1 ZINC000910957355 650141984 /nfs/dbraw/zinc/14/19/84/650141984.db2.gz KHDHFWUUTYPDGO-QGZVFWFLSA-N 1 3 340.468 -0.321 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911004124 650144744 /nfs/dbraw/zinc/14/47/44/650144744.db2.gz NBYRUOTXHISKOK-ZIAGYGMSSA-N 1 3 340.468 -0.343 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911149180 650155157 /nfs/dbraw/zinc/15/51/57/650155157.db2.gz VBPCKZPXDXDJJY-CKEIUWERSA-N 1 3 336.436 -0.680 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911174583 650157367 /nfs/dbraw/zinc/15/73/67/650157367.db2.gz FBLBRHNXQXGYLD-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911187746 650157943 /nfs/dbraw/zinc/15/79/43/650157943.db2.gz PNKJHHZNGMEMQP-UHFFFAOYSA-N 1 3 339.484 -0.756 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCSC1 ZINC000911199067 650159121 /nfs/dbraw/zinc/15/91/21/650159121.db2.gz JSPPYIZGHNFUNY-JKSUJKDBSA-N 1 3 340.493 -0.106 20 0 EBADHO C[C@@H](CCNC(=O)C(=O)N1CCNCCNCC1)[NH+]1CCCCC1 ZINC000911241911 650162585 /nfs/dbraw/zinc/16/25/85/650162585.db2.gz GCYQGGAKPOJEFS-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000911310783 650169698 /nfs/dbraw/zinc/16/96/98/650169698.db2.gz NKBFMYYFIQBRQE-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccnc1 ZINC000911312154 650170248 /nfs/dbraw/zinc/17/02/48/650170248.db2.gz VQSCOBIYYBTPKB-HUUCEWRRSA-N 1 3 349.435 -0.705 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911336108 650172143 /nfs/dbraw/zinc/17/21/43/650172143.db2.gz FJPVCFWUGRJDOX-GMTAPVOTSA-N 1 3 336.358 -0.065 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911518707 650189811 /nfs/dbraw/zinc/18/98/11/650189811.db2.gz AOXSMQUGPLMQNI-AWEZNQCLSA-N 1 3 339.484 -0.804 20 0 EBADHO O=C(CCN1CCNCC[NH2+]CC1)N1CCN(c2ncccn2)CC1 ZINC000923462215 650341353 /nfs/dbraw/zinc/34/13/53/650341353.db2.gz DVHCWLKLUHWQCH-UHFFFAOYSA-N 1 3 347.467 -0.990 20 0 EBADHO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923626274 650349289 /nfs/dbraw/zinc/34/92/89/650349289.db2.gz NMZAYUXIHRYWOC-AWEZNQCLSA-N 1 3 334.486 -0.431 20 0 EBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1C(F)(F)F ZINC000923661495 650351410 /nfs/dbraw/zinc/35/14/10/650351410.db2.gz KRMVZZOGJWIEIU-NXEZZACHSA-N 1 3 330.376 -0.405 20 0 EBADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCN1CCN(S(C)(=O)=O)CC1 ZINC000924949202 650369934 /nfs/dbraw/zinc/36/99/34/650369934.db2.gz IZNQCUAESLNFCN-YIONKMFJSA-N 1 3 330.498 -0.507 20 0 EBADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCN1CCN(S(C)(=O)=O)CC1 ZINC000924949202 650369940 /nfs/dbraw/zinc/36/99/40/650369940.db2.gz IZNQCUAESLNFCN-YIONKMFJSA-N 1 3 330.498 -0.507 20 0 EBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000924949202 650369944 /nfs/dbraw/zinc/36/99/44/650369944.db2.gz IZNQCUAESLNFCN-YIONKMFJSA-N 1 3 330.498 -0.507 20 0 EBADHO c1cnc(N2CCN(CCCC[NH2+][C@H]3CNCCOC3)CC2)nc1 ZINC000925493757 650379440 /nfs/dbraw/zinc/37/94/40/650379440.db2.gz YYJLZNSMWLNFKU-INIZCTEOSA-N 1 3 334.468 -0.043 20 0 EBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925449225 650379623 /nfs/dbraw/zinc/37/96/23/650379623.db2.gz LLZKNQPEDLCJLF-MNTYIPCHSA-N 1 3 336.480 -0.151 20 0 EBADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926339186 650387508 /nfs/dbraw/zinc/38/75/08/650387508.db2.gz DDIVEHFVSTXDES-HUUCEWRRSA-N 1 3 337.468 -0.907 20 0 EBADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926339186 650387510 /nfs/dbraw/zinc/38/75/10/650387510.db2.gz DDIVEHFVSTXDES-HUUCEWRRSA-N 1 3 337.468 -0.907 20 0 EBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926350149 650388260 /nfs/dbraw/zinc/38/82/60/650388260.db2.gz DGJRWIACHTVOSP-UHFFFAOYSA-N 1 3 339.484 -0.658 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926362115 650389529 /nfs/dbraw/zinc/38/95/29/650389529.db2.gz VINKGFFQYURGQB-KEYYUXOJSA-N 1 3 338.452 -0.616 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC1(C)C ZINC000926390037 650390837 /nfs/dbraw/zinc/39/08/37/650390837.db2.gz IWDZPTJWNCYJMG-MRXNPFEDSA-N 1 3 326.441 -0.759 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C[NH+](C)C ZINC000930490987 651598976 /nfs/dbraw/zinc/59/89/76/651598976.db2.gz KAEQNJPXNVAJCA-BPLDGKMQSA-N 1 3 340.468 -0.332 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C[NH+](C)C ZINC000932470994 651683158 /nfs/dbraw/zinc/68/31/58/651683158.db2.gz CYGBUEWZJAVTFD-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942007766 653019158 /nfs/dbraw/zinc/01/91/58/653019158.db2.gz MDYSKNSFSLFXOS-NMFUWQPSSA-N 1 3 349.435 -0.366 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000942007766 653019164 /nfs/dbraw/zinc/01/91/64/653019164.db2.gz MDYSKNSFSLFXOS-NMFUWQPSSA-N 1 3 349.435 -0.366 20 0 EBADHO CN(C)C1(C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC000946925808 653272294 /nfs/dbraw/zinc/27/22/94/653272294.db2.gz UVDDWPCSHRQAJP-ZDUSSCGKSA-N 1 3 338.452 -0.698 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943621654 653437474 /nfs/dbraw/zinc/43/74/74/653437474.db2.gz XZBNVUMAPDPAGL-ZIAGYGMSSA-N 1 3 347.419 -0.610 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000955441711 720175655 /nfs/dbraw/zinc/17/56/55/720175655.db2.gz FJQHKKAYOOCWDT-UHFFFAOYSA-N 1 3 349.435 -0.268 20 0 EBADHO O=C(NC[C@H]1CN(CCn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595069 722398531 /nfs/dbraw/zinc/39/85/31/722398531.db2.gz PCZZHVITNWLTLQ-GJZGRUSLSA-N 1 3 333.436 -0.612 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960792259 722865414 /nfs/dbraw/zinc/86/54/14/722865414.db2.gz PBXHGSAAAFTOKQ-FICVDOATSA-N 1 3 330.436 -0.047 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000961963686 723133520 /nfs/dbraw/zinc/13/35/20/723133520.db2.gz PSXANHKJCINLNA-OKILXGFUSA-N 1 3 343.431 -0.035 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001019290268 728849143 /nfs/dbraw/zinc/84/91/43/728849143.db2.gz YKHGHYLZFKAVSH-XUXIUFHCSA-N 1 3 336.436 -0.288 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001019290268 728849146 /nfs/dbraw/zinc/84/91/46/728849146.db2.gz YKHGHYLZFKAVSH-XUXIUFHCSA-N 1 3 336.436 -0.288 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964262456 723924653 /nfs/dbraw/zinc/92/46/53/723924653.db2.gz MDUYNKRKYCLDMM-AWEZNQCLSA-N 1 3 347.419 -0.608 20 0 EBADHO CC[C@@H](N[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001019497227 728901335 /nfs/dbraw/zinc/90/13/35/728901335.db2.gz PIFMJSHJEOWRAR-UONOGXRCSA-N 1 3 336.440 -0.487 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)cn1 ZINC001019497247 728901341 /nfs/dbraw/zinc/90/13/41/728901341.db2.gz PURRRKBKFYUXKL-UONOGXRCSA-N 1 3 334.424 -0.863 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC001019574477 728925515 /nfs/dbraw/zinc/92/55/15/728925515.db2.gz DYWZLTHMGFIDQB-ZFWWWQNUSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)N1CCC1 ZINC000969407756 725177139 /nfs/dbraw/zinc/17/71/39/725177139.db2.gz UIUQFXWFABDCMH-DGSCNEQVSA-N 1 3 348.447 -0.728 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000969947650 725230865 /nfs/dbraw/zinc/23/08/65/725230865.db2.gz FNVQYJHPZCIMIY-QWHCGFSZSA-N 1 3 337.424 -0.787 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC000969991643 725236077 /nfs/dbraw/zinc/23/60/77/725236077.db2.gz MVXRIIXNGMDCML-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC000970791892 725328767 /nfs/dbraw/zinc/32/87/67/725328767.db2.gz BJWULDJDQJYVHK-ZIAGYGMSSA-N 1 3 336.436 -0.142 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971681053 725430049 /nfs/dbraw/zinc/43/00/49/725430049.db2.gz BDXDIGVLVBODGK-HUUCEWRRSA-N 1 3 337.468 -0.116 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001051650668 735292146 /nfs/dbraw/zinc/29/21/46/735292146.db2.gz CQVZGDGAVBBWMW-KBPBESRZSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739946 725589486 /nfs/dbraw/zinc/58/94/86/725589486.db2.gz JDTMROUSKNKUFJ-CYBMUJFWSA-N 1 3 349.435 -0.833 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895804 725670352 /nfs/dbraw/zinc/67/03/52/725670352.db2.gz UACOIVUHFMYILI-CJNGLKHVSA-N 1 3 334.464 -0.003 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000992014732 725701794 /nfs/dbraw/zinc/70/17/94/725701794.db2.gz DZNTVTYALWRCRV-HNNXBMFYSA-N 1 3 348.451 -0.521 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000976540940 726340738 /nfs/dbraw/zinc/34/07/38/726340738.db2.gz PHJNWDVVBVCIJR-OWYFMNJBSA-N 1 3 334.464 -0.149 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000976540940 726340739 /nfs/dbraw/zinc/34/07/39/726340739.db2.gz PHJNWDVVBVCIJR-OWYFMNJBSA-N 1 3 334.464 -0.149 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976542851 726341872 /nfs/dbraw/zinc/34/18/72/726341872.db2.gz XWFYSTQKMRATNX-NBFUAULTSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000976542851 726341876 /nfs/dbraw/zinc/34/18/76/726341876.db2.gz XWFYSTQKMRATNX-NBFUAULTSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)C1(C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)CCC1 ZINC000996665024 726421585 /nfs/dbraw/zinc/42/15/85/726421585.db2.gz NWWATIFHDIJPIL-ZDUSSCGKSA-N 1 3 336.436 -0.144 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000996690979 726422655 /nfs/dbraw/zinc/42/26/55/726422655.db2.gz GMYDTNJPOJAKSM-ZFWWWQNUSA-N 1 3 338.452 -0.042 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000997009044 726434726 /nfs/dbraw/zinc/43/47/26/726434726.db2.gz XLBYFSWTXBTJFL-CQSZACIVSA-N 1 3 337.468 -0.066 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997048987 726435729 /nfs/dbraw/zinc/43/57/29/726435729.db2.gz HSSHWHUGRXJGJK-HBSJQHRPSA-N 1 3 348.447 -0.729 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997048987 726435730 /nfs/dbraw/zinc/43/57/30/726435730.db2.gz HSSHWHUGRXJGJK-HBSJQHRPSA-N 1 3 348.447 -0.729 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997048988 726435884 /nfs/dbraw/zinc/43/58/84/726435884.db2.gz HSSHWHUGRXJGJK-PGMGQSNYSA-N 1 3 348.447 -0.729 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997048988 726435885 /nfs/dbraw/zinc/43/58/85/726435885.db2.gz HSSHWHUGRXJGJK-PGMGQSNYSA-N 1 3 348.447 -0.729 20 0 EBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000999834726 726534265 /nfs/dbraw/zinc/53/42/65/726534265.db2.gz VMBADFIMXJJBNF-UHFFFAOYSA-N 1 3 337.424 -0.787 20 0 EBADHO O=C(NCc1cn([C@@H]2CCN(CCO)C2)nn1)C12CC[NH+](CC1)C2 ZINC001000035947 726552110 /nfs/dbraw/zinc/55/21/10/726552110.db2.gz RKRJDMSRVYMEHQ-CQSZACIVSA-N 1 3 334.424 -0.771 20 0 EBADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002874247 726651668 /nfs/dbraw/zinc/65/16/68/726651668.db2.gz HJDZSCUKORYGPL-CVEARBPZSA-N 1 3 348.451 -0.278 20 0 EBADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002874247 726651669 /nfs/dbraw/zinc/65/16/69/726651669.db2.gz HJDZSCUKORYGPL-CVEARBPZSA-N 1 3 348.451 -0.278 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003334561 726670095 /nfs/dbraw/zinc/67/00/95/726670095.db2.gz WSNTUACPSXBPJU-CQSZACIVSA-N 1 3 334.464 -0.001 20 0 EBADHO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC001003496452 726676885 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/nfs/dbraw/zinc/40/56/36/736405636.db2.gz ATMMAIOUYOSGAS-GFCCVEGCSA-N 1 3 349.439 -0.933 20 0 EBADHO CCN(CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055955961 736570231 /nfs/dbraw/zinc/57/02/31/736570231.db2.gz ISSQUXHAVMXHNP-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057635683 737375263 /nfs/dbraw/zinc/37/52/63/737375263.db2.gz GZVZMXBWVNMEFA-CQSZACIVSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057635683 737375271 /nfs/dbraw/zinc/37/52/71/737375271.db2.gz GZVZMXBWVNMEFA-CQSZACIVSA-N 1 3 328.457 -0.785 20 0 EBADHO CN(CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001057636434 737376151 /nfs/dbraw/zinc/37/61/51/737376151.db2.gz RLERVLYFWDCHRJ-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001057636434 737376152 /nfs/dbraw/zinc/37/61/52/737376152.db2.gz RLERVLYFWDCHRJ-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001057636715 737376732 /nfs/dbraw/zinc/37/67/32/737376732.db2.gz XJUXUAABGJDDPM-LSDHHAIUSA-N 1 3 340.468 -0.783 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057636715 737376733 /nfs/dbraw/zinc/37/67/33/737376733.db2.gz XJUXUAABGJDDPM-LSDHHAIUSA-N 1 3 340.468 -0.783 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738602 737427543 /nfs/dbraw/zinc/42/75/43/737427543.db2.gz DAEYZVPRVVGBSM-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738602 737427546 /nfs/dbraw/zinc/42/75/46/737427546.db2.gz DAEYZVPRVVGBSM-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001057864128 737484832 /nfs/dbraw/zinc/48/48/32/737484832.db2.gz COAMIKDTKCBGAV-OAHLLOKOSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001057864128 737484833 /nfs/dbraw/zinc/48/48/33/737484833.db2.gz COAMIKDTKCBGAV-OAHLLOKOSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001057882288 737502189 /nfs/dbraw/zinc/50/21/89/737502189.db2.gz JPLXRZUQXNZQOT-HNNXBMFYSA-N 1 3 330.473 -0.539 20 0 EBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001057883453 737503838 /nfs/dbraw/zinc/50/38/38/737503838.db2.gz KUQFSQDCRJQAQJ-INIZCTEOSA-N 1 3 344.500 -0.150 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)CN(C)C(C)C ZINC001057942770 737546596 /nfs/dbraw/zinc/54/65/96/737546596.db2.gz UGBMAXVJMORGTP-UHFFFAOYSA-N 1 3 344.500 -0.006 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)CN(C)C(C)C ZINC001057942770 737546599 /nfs/dbraw/zinc/54/65/99/737546599.db2.gz UGBMAXVJMORGTP-UHFFFAOYSA-N 1 3 344.500 -0.006 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001057975184 737572086 /nfs/dbraw/zinc/57/20/86/737572086.db2.gz JOYOVMVTUIQBSS-RBSFLKMASA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001057975184 737572088 /nfs/dbraw/zinc/57/20/88/737572088.db2.gz JOYOVMVTUIQBSS-RBSFLKMASA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994475 737583088 /nfs/dbraw/zinc/58/30/88/737583088.db2.gz ZDZXMGDJYRZXFL-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001058168751 737690810 /nfs/dbraw/zinc/69/08/10/737690810.db2.gz TUXLWASJKMIOBM-CABCVRRESA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001058168751 737690813 /nfs/dbraw/zinc/69/08/13/737690813.db2.gz TUXLWASJKMIOBM-CABCVRRESA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)N(C)C ZINC001058610289 737920889 /nfs/dbraw/zinc/92/08/89/737920889.db2.gz FWPKHZHYFOZTCF-CQSZACIVSA-N 1 3 330.473 -0.395 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710599 737961038 /nfs/dbraw/zinc/96/10/38/737961038.db2.gz HKDWLUXUKFKCRG-UHFFFAOYSA-N 1 3 325.413 -0.851 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058849455 738031669 /nfs/dbraw/zinc/03/16/69/738031669.db2.gz UUVSUTJAHBGVLJ-CABCVRRESA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001058849455 738031672 /nfs/dbraw/zinc/03/16/72/738031672.db2.gz UUVSUTJAHBGVLJ-CABCVRRESA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170280 739575562 /nfs/dbraw/zinc/57/55/62/739575562.db2.gz YIWFRVXZUXKTTN-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001065170280 739575567 /nfs/dbraw/zinc/57/55/67/739575567.db2.gz YIWFRVXZUXKTTN-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170282 739575644 /nfs/dbraw/zinc/57/56/44/739575644.db2.gz YIWFRVXZUXKTTN-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001065170282 739575647 /nfs/dbraw/zinc/57/56/47/739575647.db2.gz YIWFRVXZUXKTTN-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065177498 739581435 /nfs/dbraw/zinc/58/14/35/739581435.db2.gz GPJSYFXDYFLZET-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572552 739768950 /nfs/dbraw/zinc/76/89/50/739768950.db2.gz SNWPXPUUXLJZFW-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C)[C@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CC1 ZINC001065576989 739773257 /nfs/dbraw/zinc/77/32/57/739773257.db2.gz ZEENJIUDFINSIE-HOCLYGCPSA-N 1 3 340.468 -0.378 20 0 EBADHO CCN(CC)CC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068455663 740331325 /nfs/dbraw/zinc/33/13/25/740331325.db2.gz ASRALUFZCFWSMC-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072150972 741322385 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ZINC000987534143 807953615 /nfs/dbraw/zinc/95/36/15/807953615.db2.gz UIVNXCUYWRENMH-STQMWFEESA-N 1 3 337.424 -0.787 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989665431 808551649 /nfs/dbraw/zinc/55/16/49/808551649.db2.gz FDACTEYRAXJTRG-HZPDHXFCSA-N 1 3 335.452 -0.270 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989665431 808551653 /nfs/dbraw/zinc/55/16/53/808551653.db2.gz FDACTEYRAXJTRG-HZPDHXFCSA-N 1 3 335.452 -0.270 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001214952879 810294688 /nfs/dbraw/zinc/29/46/88/810294688.db2.gz QHAPKJAPMZDWHO-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001215463066 810330699 /nfs/dbraw/zinc/33/06/99/810330699.db2.gz GDLMNOQFGSSZHX-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001216002580 810354280 /nfs/dbraw/zinc/35/42/80/810354280.db2.gz WCVXLEBCOBWMLO-ZIAGYGMSSA-N 1 3 348.513 -0.296 20 0 EBADHO CCNC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216091945 810358024 /nfs/dbraw/zinc/35/80/24/810358024.db2.gz YFNODQVEEVRHCJ-UKRRQHHQSA-N 1 3 340.468 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001216511633 810375545 /nfs/dbraw/zinc/37/55/45/810375545.db2.gz XZRLVGXSTQFCPG-OWCLPIDISA-N 1 3 345.484 -0.211 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001216511557 810375813 /nfs/dbraw/zinc/37/58/13/810375813.db2.gz UCWQKCGXDMHRID-ZIAGYGMSSA-N 1 3 348.513 -0.296 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851864 810395824 /nfs/dbraw/zinc/39/58/24/810395824.db2.gz JRHFZBWSBNQQPV-OWCLPIDISA-N 1 3 345.484 -0.213 20 0 EBADHO O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218510708 810496753 /nfs/dbraw/zinc/49/67/53/810496753.db2.gz NCSXLXKLTJPXTA-ZDUSSCGKSA-N 1 3 345.403 -0.699 20 0 EBADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218555148 810502559 /nfs/dbraw/zinc/50/25/59/810502559.db2.gz OWNLMJFBPXCYCF-ZCFIWIBFSA-N 1 3 329.382 -0.577 20 0 EBADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3COC4(CNC4)CN3)cn2)CC1 ZINC001218725072 810524279 /nfs/dbraw/zinc/52/42/79/810524279.db2.gz QQGMFFLJZSAUMI-CQSZACIVSA-N 1 3 346.435 -0.722 20 0 EBADHO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218873557 810538539 /nfs/dbraw/zinc/53/85/39/810538539.db2.gz MKCCBOMCRDYDAD-FZKQIMNGSA-N 1 3 343.431 -0.240 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 ZINC001218965738 810549135 /nfs/dbraw/zinc/54/91/35/810549135.db2.gz RUYMCJSCLPGISI-HRCADAONSA-N 1 3 341.452 -0.487 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635390 810781958 /nfs/dbraw/zinc/78/19/58/810781958.db2.gz FEARLDJPZVBACK-SRVKXCTJSA-N 1 3 338.387 -0.870 20 0 EBADHO N[C@H](C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C1CCC2(CC1)OCCO2 ZINC001219736490 810817078 /nfs/dbraw/zinc/81/70/78/810817078.db2.gz CRCNHJTWRPCFSK-KGLIPLIRSA-N 1 3 339.436 -0.258 20 0 EBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736941 810817405 /nfs/dbraw/zinc/81/74/05/810817405.db2.gz LFRWEDLJGJCHGM-NWDGAFQWSA-N 1 3 327.425 -0.070 20 0 EBADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)c1ncn2c1CNCC2 ZINC001219798577 810847177 /nfs/dbraw/zinc/84/71/77/810847177.db2.gz YIZPLMBAXVSIDI-UHFFFAOYSA-N 1 3 332.452 -0.068 20 0 EBADHO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1CNCC2 ZINC001219845297 810875453 /nfs/dbraw/zinc/87/54/53/810875453.db2.gz VSXMCYSXHYIXBN-ZBEGNZNMSA-N 1 3 335.408 -0.820 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847511 810878287 /nfs/dbraw/zinc/87/82/87/810878287.db2.gz JHLLEDZWVNCQHB-HTVCTNPSSA-N 1 3 326.441 -0.500 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852661 810878904 /nfs/dbraw/zinc/87/89/04/810878904.db2.gz WXYCCCWUGHEWFZ-YYFQZIEXSA-N 1 3 340.468 -0.395 20 0 EBADHO O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@@H]1COC2(CNC2)CN1 ZINC001219929713 810912612 /nfs/dbraw/zinc/91/26/12/810912612.db2.gz QCMWFLRXTRKVCR-HNNXBMFYSA-N 1 3 345.447 -0.505 20 0 EBADHO CCn1c(N)c(NC(=O)[C@@H](N)CCCC[NH3+])c(=O)n(CC)c1=O ZINC001219971773 810931122 /nfs/dbraw/zinc/93/11/22/810931122.db2.gz BCZHVMMSACKPHD-VIFPVBQESA-N 1 3 326.401 -0.973 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCOC1 ZINC001220020891 810951739 /nfs/dbraw/zinc/95/17/39/810951739.db2.gz ZIECCKHUJIEILJ-IHRRRGAJSA-N 1 3 326.441 -0.414 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001220200889 811013889 /nfs/dbraw/zinc/01/38/89/811013889.db2.gz YLFJETJJWKFIKS-CYBMUJFWSA-N 1 3 329.445 -0.621 20 0 EBADHO CCOC(=O)CC[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220230314 811028111 /nfs/dbraw/zinc/02/81/11/811028111.db2.gz IPUZVBRZQXNLCU-NEPJUHHUSA-N 1 3 341.408 -0.813 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220276564 811043543 /nfs/dbraw/zinc/04/35/43/811043543.db2.gz FKBPLBWBEMCJNR-MJBXVCDLSA-N 1 3 326.441 -0.984 20 0 EBADHO O=C(NCc1ncn2c1CNCCC2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220311048 811051458 /nfs/dbraw/zinc/05/14/58/811051458.db2.gz JPWDABWGVYRNLB-LBPRGKRZSA-N 1 3 346.435 -0.892 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315235 811053325 /nfs/dbraw/zinc/05/33/25/811053325.db2.gz AWJNVSWJABVUSV-QDEZUTFSSA-N 1 3 340.468 -0.108 20 0 EBADHO [NH3+]C[C@H](O)C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353345 811068896 /nfs/dbraw/zinc/06/88/96/811068896.db2.gz IKMALPYIZRUZBL-QLFBSQMISA-N 1 3 335.404 -0.119 20 0 EBADHO COCCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387592 811085947 /nfs/dbraw/zinc/08/59/47/811085947.db2.gz MTIXEZHZBHXOEK-OAGGEKHMSA-N 1 3 343.468 -0.315 20 0 EBADHO CCCn1c(=O)cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n(CCC)c1=O ZINC001220424809 811102854 /nfs/dbraw/zinc/10/28/54/811102854.db2.gz VEEFTPITMSFXTC-GFCCVEGCSA-N 1 3 349.435 -0.423 20 0 EBADHO COC(C)(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])OC ZINC001220509457 811129893 /nfs/dbraw/zinc/12/98/93/811129893.db2.gz YRSUHOVEACODFQ-STQMWFEESA-N 1 3 344.456 -0.441 20 0 EBADHO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220514603 811133459 /nfs/dbraw/zinc/13/34/59/811133459.db2.gz RNTGKEFRMLMGIX-VIFPVBQESA-N 1 3 325.369 -0.034 20 0 EBADHO CN[C@@H](COCc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519149 811135788 /nfs/dbraw/zinc/13/57/88/811135788.db2.gz DCEXMCLPELMIKU-INIZCTEOSA-N 1 3 339.436 -0.101 20 0 EBADHO O=C(NCc1ccccc1-n1cnnn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220668751 811196106 /nfs/dbraw/zinc/19/61/06/811196106.db2.gz ZJPRRMCLTHNVJL-CZUORRHYSA-N 1 3 327.392 -0.522 20 0 EBADHO COCCCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764149 811232972 /nfs/dbraw/zinc/23/29/72/811232972.db2.gz AVMGFDNULIYTCV-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CCO[C@@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220768330 811234639 /nfs/dbraw/zinc/23/46/39/811234639.db2.gz HIQQOUKXXRPJKT-PMPSAXMXSA-N 1 3 343.468 -0.459 20 0 EBADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220770197 811236619 /nfs/dbraw/zinc/23/66/19/811236619.db2.gz VOPMRFLGRYNHSI-ZIAGYGMSSA-N 1 3 349.435 -0.505 20 0 EBADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220770197 811236623 /nfs/dbraw/zinc/23/66/23/811236623.db2.gz VOPMRFLGRYNHSI-ZIAGYGMSSA-N 1 3 349.435 -0.505 20 0 EBADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001221365502 811446043 /nfs/dbraw/zinc/44/60/43/811446043.db2.gz FAJSXGDBXIZHJS-STQMWFEESA-N 1 3 341.433 -0.358 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)COC1(C)C ZINC001221412728 811451808 /nfs/dbraw/zinc/45/18/08/811451808.db2.gz GEUKANLQDWYJFF-BPNCWPANSA-N 1 3 338.452 -0.199 20 0 EBADHO CCOC(=O)[C@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001222079741 811592565 /nfs/dbraw/zinc/59/25/65/811592565.db2.gz FLZUWNFBSSQLHQ-OAHLLOKOSA-N 1 3 333.436 -0.172 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCOCC4(CC[NH2+]CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001222402144 811626074 /nfs/dbraw/zinc/62/60/74/811626074.db2.gz ZEMRMFXVKYOYMV-XGUBFFRZSA-N 1 3 342.436 -0.074 20 0 EBADHO C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)CN2CCCC2)CC1 ZINC001080988821 812426787 /nfs/dbraw/zinc/42/67/87/812426787.db2.gz DAPGBTRMBVEPBC-UHFFFAOYSA-N 1 3 340.468 -0.496 20 0 EBADHO CCOC1(OCC)CC[NH2+]C[C@@H]1[N-]S(=O)(=O)C1CC[NH2+]CC1 ZINC001238183228 812525241 /nfs/dbraw/zinc/52/52/41/812525241.db2.gz UTAYOLUSMQEOSQ-ZDUSSCGKSA-N 1 3 335.470 -0.211 20 0 EBADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCNC[C@]2(CCCCN2)C1 ZINC001239015677 812539065 /nfs/dbraw/zinc/53/90/65/812539065.db2.gz DREKHMBYXXDBQY-OAHLLOKOSA-N 1 3 330.498 -0.267 20 0 EBADHO OCCc1ccc(OC[C@H](O)CNC2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245991719 812558710 /nfs/dbraw/zinc/55/87/10/812558710.db2.gz WIFSXXQQKIMCPY-GOSISDBHSA-N 1 3 349.475 -0.013 20 0 EBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C[C@@H]1C(=O)OC ZINC001246085892 812564468 /nfs/dbraw/zinc/56/44/68/812564468.db2.gz AZZWIWPUVAHWOT-NKSTYXRASA-N 1 3 332.372 -0.621 20 0 EBADHO CC[C@]1(C(=O)OC)C[C@@H](NCCOCCOCCOCC[NH3+])CN1 ZINC001246288998 812569178 /nfs/dbraw/zinc/56/91/78/812569178.db2.gz MXMIPELBWNLEHO-GDBMZVCRSA-N 1 3 347.456 -0.732 20 0 EBADHO O=C([C@@H]1C[C@@H](N2CCC[C@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647060 812577815 /nfs/dbraw/zinc/57/78/15/812577815.db2.gz GRRMYARDZVATGC-YCPHGPKFSA-N 1 3 340.493 -0.296 20 0 EBADHO c1ccc(N2CCN(C3CN([C@@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246861585 812591314 /nfs/dbraw/zinc/59/13/14/812591314.db2.gz ZBRGPAAFPVPKRU-MRXNPFEDSA-N 1 3 342.491 -0.018 20 0 EBADHO COC(=O)[C@H](C[NH3+])CN[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257720434 812769485 /nfs/dbraw/zinc/76/94/85/812769485.db2.gz GTFYYKVJFNYLPQ-DDHJBXDOSA-N 1 3 330.381 -0.545 20 0 EBADHO CN1CCN(C[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC001261436663 812906198 /nfs/dbraw/zinc/90/61/98/812906198.db2.gz IEKLUPIINBYITP-ZWKOTPCHSA-N 1 3 340.512 -0.172 20 0 EBADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)CCN1CCNC1=O ZINC001265103915 813239169 /nfs/dbraw/zinc/23/91/69/813239169.db2.gz BMVDZRZEYUHTQX-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CCN1CCNC1=O ZINC001265103915 813239179 /nfs/dbraw/zinc/23/91/79/813239179.db2.gz BMVDZRZEYUHTQX-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO CCN(CCCNC(=O)COC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001265139076 813246674 /nfs/dbraw/zinc/24/66/74/813246674.db2.gz CKGLGHHVARPWEC-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCN(CCn2cncn2)CC1 ZINC001265240475 813268599 /nfs/dbraw/zinc/26/85/99/813268599.db2.gz RGZPDZNWHFGTKD-INIZCTEOSA-N 1 3 349.483 -0.504 20 0 EBADHO C[N@H+]1CCC[C@H]1C(=O)NCCCN1CCN(CCn2cncn2)CC1 ZINC001265240475 813268605 /nfs/dbraw/zinc/26/86/05/813268605.db2.gz RGZPDZNWHFGTKD-INIZCTEOSA-N 1 3 349.483 -0.504 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001265566303 813341221 /nfs/dbraw/zinc/34/12/21/813341221.db2.gz CUCJZVQAXWQWKN-TUAOUCFPSA-N 1 3 325.413 -0.885 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001265852648 813385582 /nfs/dbraw/zinc/38/55/82/813385582.db2.gz GWQTXAVJSGGRTL-YPMHNXCESA-N 1 3 327.429 -0.781 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001265881322 813402235 /nfs/dbraw/zinc/40/22/35/813402235.db2.gz HWDAXDHCPIXEQX-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001266015601 813439514 /nfs/dbraw/zinc/43/95/14/813439514.db2.gz HNYNUWZKYLAKGW-KGLIPLIRSA-N 1 3 325.457 -0.210 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001081773887 813538837 /nfs/dbraw/zinc/53/88/37/813538837.db2.gz HOZHQABRNXBDMN-GXTWGEPZSA-N 1 3 337.424 -0.771 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001081773887 813538840 /nfs/dbraw/zinc/53/88/40/813538840.db2.gz HOZHQABRNXBDMN-GXTWGEPZSA-N 1 3 337.424 -0.771 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001081774820 813543399 /nfs/dbraw/zinc/54/33/99/813543399.db2.gz UIUWUQNDZAJSQG-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001081774820 813543406 /nfs/dbraw/zinc/54/34/06/813543406.db2.gz UIUWUQNDZAJSQG-GJZGRUSLSA-N 1 3 342.484 -0.396 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001266439483 813570426 /nfs/dbraw/zinc/57/04/26/813570426.db2.gz PPTQQOVKBTVLPK-CQSZACIVSA-N 1 3 347.419 -0.106 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741558 813657389 /nfs/dbraw/zinc/65/73/89/813657389.db2.gz YIGOBBGIXWXDJJ-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741558 813657394 /nfs/dbraw/zinc/65/73/94/813657394.db2.gz YIGOBBGIXWXDJJ-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001266989088 813721797 /nfs/dbraw/zinc/72/17/97/813721797.db2.gz SDNITEHJPUSIOD-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267070361 813751204 /nfs/dbraw/zinc/75/12/04/813751204.db2.gz LMODVSVDKGPBQZ-CQSZACIVSA-N 1 3 338.452 -0.086 20 0 EBADHO O=C(NC[C@H]1CCCN1CCOCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266258 813810617 /nfs/dbraw/zinc/81/06/17/813810617.db2.gz CBVPJADKWYJRCG-HZPDHXFCSA-N 1 3 325.453 -0.082 20 0 EBADHO CCC[N@H+](CCNC(=O)[C@H]1CCCN1C)CCN1C(=O)CNC1=O ZINC001267311896 813843532 /nfs/dbraw/zinc/84/35/32/813843532.db2.gz IWXKJXGXVXYOJI-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCN1C)CCN1C(=O)CNC1=O ZINC001267311896 813843540 /nfs/dbraw/zinc/84/35/40/813843540.db2.gz IWXKJXGXVXYOJI-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(=O)NC ZINC001267380355 813867865 /nfs/dbraw/zinc/86/78/65/813867865.db2.gz JBWZIPNHPHSURW-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(=O)NC ZINC001267380355 813867872 /nfs/dbraw/zinc/86/78/72/813867872.db2.gz JBWZIPNHPHSURW-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082562211 813967287 /nfs/dbraw/zinc/96/72/87/813967287.db2.gz XPNIOJRYHPWTPQ-KWCYVHTRSA-N 1 3 336.436 -0.288 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082742947 814002886 /nfs/dbraw/zinc/00/28/86/814002886.db2.gz XYZHBVCQHHUJMX-RRFJBIMHSA-N 1 3 337.468 -0.210 20 0 EBADHO C[C@@H](NC/C=C/CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606998 814315915 /nfs/dbraw/zinc/31/59/15/814315915.db2.gz RUKWWHCSZOKZLG-VBROQKIQSA-N 1 3 340.468 -0.164 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614246 814319631 /nfs/dbraw/zinc/31/96/31/814319631.db2.gz UWAOABXGEQTQLD-HEKLCECKSA-N 1 3 325.413 -0.826 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001268614246 814319638 /nfs/dbraw/zinc/31/96/38/814319638.db2.gz UWAOABXGEQTQLD-HEKLCECKSA-N 1 3 325.413 -0.826 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626110 814325040 /nfs/dbraw/zinc/32/50/40/814325040.db2.gz MSWRSAWUWFERAD-ZRMMWKCHSA-N 1 3 344.419 -0.264 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626110 814325047 /nfs/dbraw/zinc/32/50/47/814325047.db2.gz MSWRSAWUWFERAD-ZRMMWKCHSA-N 1 3 344.419 -0.264 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001268811794 814394040 /nfs/dbraw/zinc/39/40/40/814394040.db2.gz QNPWFBJEEXDMJC-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001269471244 814706356 /nfs/dbraw/zinc/70/63/56/814706356.db2.gz HQYYROLNOVALPV-OLZOCXBDSA-N 1 3 339.440 -0.636 20 0 EBADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001270021809 815664501 /nfs/dbraw/zinc/66/45/01/815664501.db2.gz INVHLLSEKLNVHL-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001270173927 815708266 /nfs/dbraw/zinc/70/82/66/815708266.db2.gz GQFPUNZQPKUEFP-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCN1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)CC1 ZINC001271904394 816247196 /nfs/dbraw/zinc/24/71/96/816247196.db2.gz CFHLYDVFVHLLJU-IRXDYDNUSA-N 1 3 337.512 -0.139 20 0 EBADHO O=C(NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086432567 816332559 /nfs/dbraw/zinc/33/25/59/816332559.db2.gz YTCDLSGPKLKELD-LNUIYOBLSA-N 1 3 348.447 -0.778 20 0 EBADHO CCN(C)C(=O)CNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001272250914 816370436 /nfs/dbraw/zinc/37/04/36/816370436.db2.gz HFWIVWZNAIEIRE-UHFFFAOYSA-N 1 3 328.457 -0.783 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383677 816416850 /nfs/dbraw/zinc/41/68/50/816416850.db2.gz ITUIVHQUGAWQCE-ZIAGYGMSSA-N 1 3 346.497 -0.542 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CCC1 ZINC001272435532 816429392 /nfs/dbraw/zinc/42/93/92/816429392.db2.gz TYJBDSOQHJASAN-ZDUSSCGKSA-N 1 3 326.441 -0.840 20 0 EBADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001272555791 816472565 /nfs/dbraw/zinc/47/25/65/816472565.db2.gz UMGZVJKTWRXPEF-JYJNAYRXSA-N 1 3 332.452 -0.169 20 0 EBADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001272555791 816472567 /nfs/dbraw/zinc/47/25/67/816472567.db2.gz UMGZVJKTWRXPEF-JYJNAYRXSA-N 1 3 332.452 -0.169 20 0 EBADHO C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001272829228 816531278 /nfs/dbraw/zinc/53/12/78/816531278.db2.gz HISVZTTZLJIRJE-ZDUSSCGKSA-N 1 3 325.457 -0.020 20 0 EBADHO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CN(C)C1CCC1 ZINC001272832220 816532688 /nfs/dbraw/zinc/53/26/88/816532688.db2.gz YMNMNJQUKNFJJV-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@H]1COCCO1)C2 ZINC001273773615 816756314 /nfs/dbraw/zinc/75/63/14/816756314.db2.gz HQBNSJHVNHSIGL-DOTOQJQBSA-N 1 3 341.452 -0.486 20 0 EBADHO C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046909 816846832 /nfs/dbraw/zinc/84/68/32/816846832.db2.gz JNBPQUPTMAGCOF-WMZOPIPTSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046909 816846839 /nfs/dbraw/zinc/84/68/39/816846839.db2.gz JNBPQUPTMAGCOF-WMZOPIPTSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046907 816847118 /nfs/dbraw/zinc/84/71/18/816847118.db2.gz JNBPQUPTMAGCOF-FUHWJXTLSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001274046907 816847125 /nfs/dbraw/zinc/84/71/25/816847125.db2.gz JNBPQUPTMAGCOF-FUHWJXTLSA-N 1 3 338.496 -0.071 20 0 EBADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471528 816975272 /nfs/dbraw/zinc/97/52/72/816975272.db2.gz IAQNBOPCPLKLMN-DSYXLKISSA-N 1 3 326.441 -0.506 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001276404154 817399502 /nfs/dbraw/zinc/39/95/02/817399502.db2.gz GTTPXWCVXAXOTQ-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940287 817660305 /nfs/dbraw/zinc/66/03/05/817660305.db2.gz GYXMYGHCKJZBGB-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO C[C@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416517 817758205 /nfs/dbraw/zinc/75/82/05/817758205.db2.gz NOFNRQCUCGLXRZ-STQMWFEESA-N 1 3 344.481 -0.790 20 0 EBADHO CN(CCOCCN[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001279436349 817930673 /nfs/dbraw/zinc/93/06/73/817930673.db2.gz CZXFDDOVIAENOP-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO O=C(NC1(CO)CCN(CCOCCO)CC1)C12CC[NH+](CC1)C2 ZINC001281820350 818286257 /nfs/dbraw/zinc/28/62/57/818286257.db2.gz CLODTJDHIXKVOK-UHFFFAOYSA-N 1 3 341.452 -0.966 20 0 EBADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001097564267 819002293 /nfs/dbraw/zinc/00/22/93/819002293.db2.gz AQJIEGKMYCIYDY-UAEIHBMGSA-N 1 3 335.448 -0.047 20 0 EBADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001097564267 819002299 /nfs/dbraw/zinc/00/22/99/819002299.db2.gz AQJIEGKMYCIYDY-UAEIHBMGSA-N 1 3 335.448 -0.047 20 0 EBADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373641 819156238 /nfs/dbraw/zinc/15/62/38/819156238.db2.gz JDRCPQWEUDTLNN-HOTGVXAUSA-N 1 3 341.452 -0.873 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)CCC1 ZINC001284416038 819220819 /nfs/dbraw/zinc/22/08/19/819220819.db2.gz KFVSPKSWROKOBP-CQSZACIVSA-N 1 3 340.468 -0.498 20 0 EBADHO CNC(=O)[C@H](C)NCCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284869638 819381209 /nfs/dbraw/zinc/38/12/09/819381209.db2.gz YYHAXOMOGPRYGT-DZGCQCFKSA-N 1 3 340.468 -0.473 20 0 EBADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(CCOCC(F)F)C[C@@H]1O ZINC001100109177 820225200 /nfs/dbraw/zinc/22/52/00/820225200.db2.gz AKPMROXRNCCPLW-OLZOCXBDSA-N 1 3 335.395 -0.085 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100319202 820356377 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C[N@@H+]1CC[C@@H](C(=O)NCC2CC(NCC(=O)Nc3cnccn3)C2)C1 ZINC001100981049 820630327 /nfs/dbraw/zinc/63/03/27/820630327.db2.gz SHKMZHLJZWRYIE-ROKHWSDSSA-N 1 3 346.435 -0.149 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCC2CC(NCC(=O)Nc3cnccn3)C2)C1 ZINC001100981049 820630332 /nfs/dbraw/zinc/63/03/32/820630332.db2.gz SHKMZHLJZWRYIE-ROKHWSDSSA-N 1 3 346.435 -0.149 20 0 EBADHO CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036495 820661632 /nfs/dbraw/zinc/66/16/32/820661632.db2.gz RAJHXETZQUOWQL-UHFFFAOYSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486929 821122968 /nfs/dbraw/zinc/12/29/68/821122968.db2.gz BWVRATHHTBKITB-HZSPNIEDSA-N 1 3 340.468 -0.345 20 0 EBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398075 821306225 /nfs/dbraw/zinc/30/62/25/821306225.db2.gz BSRAUSDDKCZRJT-ZIAGYGMSSA-N 1 3 348.513 -0.439 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001316639216 821824621 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ZINC001129333982 828599270 /nfs/dbraw/zinc/59/92/70/828599270.db2.gz KSSXAULHXYJPKM-NEPJUHHUSA-N 1 3 327.429 -0.747 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356755 828604741 /nfs/dbraw/zinc/60/47/41/828604741.db2.gz GXTSRZNKJLYJSS-UHFFFAOYSA-N 1 3 349.497 -0.372 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364310 828605949 /nfs/dbraw/zinc/60/59/49/828605949.db2.gz RWAGRYSHKHQBDT-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364310 828605952 /nfs/dbraw/zinc/60/59/52/828605952.db2.gz RWAGRYSHKHQBDT-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1)C1CC1 ZINC001129435561 828618288 /nfs/dbraw/zinc/61/82/88/828618288.db2.gz HKNNJNAWSMIFST-AWEZNQCLSA-N 1 3 331.482 -0.143 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129435809 828619359 /nfs/dbraw/zinc/61/93/59/828619359.db2.gz JHUOHUKJZSFBQA-JQWIXIFHSA-N 1 3 327.429 -0.733 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1CC1 ZINC001129444568 828619795 /nfs/dbraw/zinc/61/97/95/828619795.db2.gz VGSFNJQLRUJEQQ-CYBMUJFWSA-N 1 3 341.456 -0.343 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437149 828620291 /nfs/dbraw/zinc/62/02/91/828620291.db2.gz VYTLTCMPVWUULP-TZMCWYRMSA-N 1 3 331.482 -0.143 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC(=O)NC1CC1 ZINC001129534890 828632130 /nfs/dbraw/zinc/63/21/30/828632130.db2.gz BXXLRQHPHAGPSC-NSHDSACASA-N 1 3 339.440 -0.447 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1)C1CCC1 ZINC001129535579 828632362 /nfs/dbraw/zinc/63/23/62/828632362.db2.gz XHZIZMRMMIKFQV-JKSUJKDBSA-N 1 3 343.468 -0.267 20 0 EBADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673320 824582719 /nfs/dbraw/zinc/58/27/19/824582719.db2.gz IPAAZLSSQZEWQO-WCVJEAGWSA-N 1 3 343.468 -0.317 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001129855461 828681321 /nfs/dbraw/zinc/68/13/21/828681321.db2.gz FCTMVJFWKHCORQ-CYBMUJFWSA-N 1 3 339.440 -0.445 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001129855461 828681323 /nfs/dbraw/zinc/68/13/23/828681323.db2.gz FCTMVJFWKHCORQ-CYBMUJFWSA-N 1 3 339.440 -0.445 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129892423 828689464 /nfs/dbraw/zinc/68/94/64/828689464.db2.gz WTYFNRZYZBSFDB-QLFBSQMISA-N 1 3 336.440 -0.658 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129899600 828689985 /nfs/dbraw/zinc/68/99/85/828689985.db2.gz AOWDREZGDGJGAT-ILXRZTDVSA-N 1 3 338.456 -0.148 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007582 828713916 /nfs/dbraw/zinc/71/39/16/828713916.db2.gz LWNJQHKVAQXASU-ZNMIVQPWSA-N 1 3 336.440 -0.250 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130011944 828714657 /nfs/dbraw/zinc/71/46/57/828714657.db2.gz GFQZTVVIIOAGJQ-ZNMIVQPWSA-N 1 3 336.440 -0.514 20 0 EBADHO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130024626 828716541 /nfs/dbraw/zinc/71/65/41/828716541.db2.gz ZJKRISVHRKEMFO-YUELXQCFSA-N 1 3 347.423 -0.254 20 0 EBADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047556 828722032 /nfs/dbraw/zinc/72/20/32/828722032.db2.gz GTMHYTOKWWMSKY-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091314 828731234 /nfs/dbraw/zinc/73/12/34/828731234.db2.gz LCUITZTVONKGGN-CABCVRRESA-N 1 3 348.451 -0.248 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179580624 832991001 /nfs/dbraw/zinc/99/10/01/832991001.db2.gz KHFHNAYNAHXGJR-CYBMUJFWSA-N 1 3 341.456 -0.068 20 0 EBADHO C[C@@H](O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194351 825400947 /nfs/dbraw/zinc/40/09/47/825400947.db2.gz ZZTSHSYFNABCGF-IJLUTSLNSA-N 1 3 341.374 -0.076 20 0 EBADHO NC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536068 825453953 /nfs/dbraw/zinc/45/39/53/825453953.db2.gz OHVVXTMILDUVQG-ZBEGNZNMSA-N 1 3 348.407 -0.635 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001179618059 832994050 /nfs/dbraw/zinc/99/40/50/832994050.db2.gz YXFOJTAGJOXGJC-QEJZJMRPSA-N 1 3 349.435 -0.486 20 0 EBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179799766 833011563 /nfs/dbraw/zinc/01/15/63/833011563.db2.gz UDSBFBWHZQANIL-IPYPFGDCSA-N 1 3 340.468 -0.189 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179852351 833017929 /nfs/dbraw/zinc/01/79/29/833017929.db2.gz LCHNPENENSLPIH-WOPDTQHZSA-N 1 3 327.429 -0.509 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179852351 833017936 /nfs/dbraw/zinc/01/79/36/833017936.db2.gz LCHNPENENSLPIH-WOPDTQHZSA-N 1 3 327.429 -0.509 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001114746705 826331948 /nfs/dbraw/zinc/33/19/48/826331948.db2.gz XYFBFJUKHPTDBM-CZXHOFHRSA-N 1 3 334.420 -0.820 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001115245350 826470296 /nfs/dbraw/zinc/47/02/96/826470296.db2.gz POCGCJVJQPLXRA-QMCVQRASSA-N 1 3 347.463 -0.065 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001115245350 826470301 /nfs/dbraw/zinc/47/03/01/826470301.db2.gz POCGCJVJQPLXRA-QMCVQRASSA-N 1 3 347.463 -0.065 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001180226690 833059957 /nfs/dbraw/zinc/05/99/57/833059957.db2.gz GXHKWZVXFQYRCK-SRVKXCTJSA-N 1 3 327.429 -0.511 20 0 EBADHO CN(C)C[C@@H]1COCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610558 833095895 /nfs/dbraw/zinc/09/58/95/833095895.db2.gz LFONVPIHROIBBK-CQSZACIVSA-N 1 3 326.441 -0.637 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001117920728 826824524 /nfs/dbraw/zinc/82/45/24/826824524.db2.gz KAUAISXNSVANGY-CQSZACIVSA-N 1 3 328.457 -0.567 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119365653 827102741 /nfs/dbraw/zinc/10/27/41/827102741.db2.gz UNVCMKNRIHIIOD-ZIAGYGMSSA-N 1 3 339.484 -0.533 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120448521 827225594 /nfs/dbraw/zinc/22/55/94/827225594.db2.gz BITIEHICOQMOQH-HUUCEWRRSA-N 1 3 340.468 -0.247 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001181651300 833170443 /nfs/dbraw/zinc/17/04/43/833170443.db2.gz AKOICZJVZVVFGP-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001183240389 833284272 /nfs/dbraw/zinc/28/42/72/833284272.db2.gz CFKZWRGLJUYQTK-QWHCGFSZSA-N 1 3 339.440 -0.650 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001183240389 833284273 /nfs/dbraw/zinc/28/42/73/833284273.db2.gz CFKZWRGLJUYQTK-QWHCGFSZSA-N 1 3 339.440 -0.650 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266903 833284956 /nfs/dbraw/zinc/28/49/56/833284956.db2.gz HQXGEJINHAGEIG-GDBMZVCRSA-N 1 3 340.468 -0.330 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)C1CCC1 ZINC001183288395 833285535 /nfs/dbraw/zinc/28/55/35/833285535.db2.gz FPSXFBFGHCQTIY-CYBMUJFWSA-N 1 3 346.497 -0.447 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001183288704 833285930 /nfs/dbraw/zinc/28/59/30/833285930.db2.gz LBNHXJUDMUGXOP-WDEREUQCSA-N 1 3 325.413 -0.755 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001183760412 833304853 /nfs/dbraw/zinc/30/48/53/833304853.db2.gz YSZWCTHYXIEIRF-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001183760412 833304857 /nfs/dbraw/zinc/30/48/57/833304857.db2.gz YSZWCTHYXIEIRF-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001183764499 833305555 /nfs/dbraw/zinc/30/55/55/833305555.db2.gz ARWKZJJIOMYDIB-GFCCVEGCSA-N 1 3 339.440 -0.541 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001127065722 828246679 /nfs/dbraw/zinc/24/66/79/828246679.db2.gz DKIZWMGIUBGJAA-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001127065722 828246686 /nfs/dbraw/zinc/24/66/86/828246686.db2.gz DKIZWMGIUBGJAA-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001127065581 828246988 /nfs/dbraw/zinc/24/69/88/828246988.db2.gz BPUOITKIHPQMGJ-CQSZACIVSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001127065581 828246993 /nfs/dbraw/zinc/24/69/93/828246993.db2.gz BPUOITKIHPQMGJ-CQSZACIVSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001127082547 828249392 /nfs/dbraw/zinc/24/93/92/828249392.db2.gz UKLQJLOUEVKQAZ-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001127082547 828249400 /nfs/dbraw/zinc/24/94/00/828249400.db2.gz UKLQJLOUEVKQAZ-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255708 828269346 /nfs/dbraw/zinc/26/93/46/828269346.db2.gz KYNYDDFNFIAJBS-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255708 828269352 /nfs/dbraw/zinc/26/93/52/828269352.db2.gz KYNYDDFNFIAJBS-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256647 828269660 /nfs/dbraw/zinc/26/96/60/828269660.db2.gz QIOQWBULAUKQJR-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256647 828269666 /nfs/dbraw/zinc/26/96/66/828269666.db2.gz QIOQWBULAUKQJR-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256113 828270154 /nfs/dbraw/zinc/27/01/54/828270154.db2.gz MJRLMJQLUFDTNP-ZIAGYGMSSA-N 1 3 346.497 -0.494 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256113 828270160 /nfs/dbraw/zinc/27/01/60/828270160.db2.gz MJRLMJQLUFDTNP-ZIAGYGMSSA-N 1 3 346.497 -0.494 20 0 EBADHO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127339082 828281011 /nfs/dbraw/zinc/28/10/11/828281011.db2.gz PXIDPUULAAOPBO-LBPRGKRZSA-N 1 3 339.440 -0.458 20 0 EBADHO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127339082 828281018 /nfs/dbraw/zinc/28/10/18/828281018.db2.gz PXIDPUULAAOPBO-LBPRGKRZSA-N 1 3 339.440 -0.458 20 0 EBADHO O=C(NCCNCCN1CCCS1(=O)=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481897 828298167 /nfs/dbraw/zinc/29/81/67/828298167.db2.gz YMZAEMXEPUFSLY-CQSZACIVSA-N 1 3 344.481 -0.931 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001127701104 828316142 /nfs/dbraw/zinc/31/61/42/828316142.db2.gz ITELQAQILVOBBV-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001127701104 828316150 /nfs/dbraw/zinc/31/61/50/828316150.db2.gz ITELQAQILVOBBV-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779958 828327162 /nfs/dbraw/zinc/32/71/62/828327162.db2.gz UKRXOLQIRQHXRW-ZIAGYGMSSA-N 1 3 326.441 -0.578 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779958 828327169 /nfs/dbraw/zinc/32/71/69/828327169.db2.gz UKRXOLQIRQHXRW-ZIAGYGMSSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC001127778854 828328832 /nfs/dbraw/zinc/32/88/32/828328832.db2.gz GYFOAGRUXVURMZ-LSDHHAIUSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC001127778854 828328843 /nfs/dbraw/zinc/32/88/43/828328843.db2.gz GYFOAGRUXVURMZ-LSDHHAIUSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(=O)NC(N)=O ZINC001130558901 828884481 /nfs/dbraw/zinc/88/44/81/828884481.db2.gz UOUVZZKOVQZPBR-LLVKDONJSA-N 1 3 336.396 -0.803 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001130711123 828921038 /nfs/dbraw/zinc/92/10/38/828921038.db2.gz OBUMXERXGUIAQG-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001130711123 828921042 /nfs/dbraw/zinc/92/10/42/828921042.db2.gz OBUMXERXGUIAQG-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650763 833365093 /nfs/dbraw/zinc/36/50/93/833365093.db2.gz MCMDVVUMAHMHBU-NWDGAFQWSA-N 1 3 325.413 -0.883 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650763 833365096 /nfs/dbraw/zinc/36/50/96/833365096.db2.gz MCMDVVUMAHMHBU-NWDGAFQWSA-N 1 3 325.413 -0.883 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185350127 833356862 /nfs/dbraw/zinc/35/68/62/833356862.db2.gz ZMZBRIBNWLNZNI-STQMWFEESA-N 1 3 341.456 -0.403 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385210 833357214 /nfs/dbraw/zinc/35/72/14/833357214.db2.gz MNJBOHFZFZEOMC-CQSZACIVSA-N 1 3 346.497 -0.542 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185446928 833358949 /nfs/dbraw/zinc/35/89/49/833358949.db2.gz VBNILTYLRZKHNE-HZPDHXFCSA-N 1 3 342.484 -0.084 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001185610149 833363122 /nfs/dbraw/zinc/36/31/22/833363122.db2.gz SECODRRPGJKURV-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO O=C(NCC[NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131522273 829153678 /nfs/dbraw/zinc/15/36/78/829153678.db2.gz ZTKZEWAZRWZZEK-DNCHLWJUSA-N 1 3 345.390 -0.020 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521865 829154856 /nfs/dbraw/zinc/15/48/56/829154856.db2.gz JZJHGIVAIXROSG-PWXAKJEPSA-N 1 3 336.436 -0.778 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521865 829154859 /nfs/dbraw/zinc/15/48/59/829154859.db2.gz JZJHGIVAIXROSG-PWXAKJEPSA-N 1 3 336.436 -0.778 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790315 829217842 /nfs/dbraw/zinc/21/78/42/829217842.db2.gz LHGABWCPBCXDAS-CMPLNLGQSA-N 1 3 325.413 -0.850 20 0 EBADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)NC(N)=O ZINC001131799079 829224077 /nfs/dbraw/zinc/22/40/77/829224077.db2.gz HBBDACJHPJZBDX-GFCCVEGCSA-N 1 3 341.456 -0.212 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131844223 829244067 /nfs/dbraw/zinc/24/40/67/829244067.db2.gz DGFFDJJZHBTPQW-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001131845300 829245294 /nfs/dbraw/zinc/24/52/94/829245294.db2.gz WHEIUYLEODZJHD-NSHDSACASA-N 1 3 327.429 -0.460 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280194 829405780 /nfs/dbraw/zinc/40/57/80/829405780.db2.gz BFHWRVMRBPAWHQ-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001186512835 833404383 /nfs/dbraw/zinc/40/43/83/833404383.db2.gz NJOARMFUEZNBAV-ZDUSSCGKSA-N 1 3 349.435 -0.457 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001132853126 829538222 /nfs/dbraw/zinc/53/82/22/829538222.db2.gz XASHTKSKJCEDMU-GFCCVEGCSA-N 1 3 339.396 -0.572 20 0 EBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC(=O)NC1CCCC1 ZINC001133040134 829577568 /nfs/dbraw/zinc/57/75/68/829577568.db2.gz CFJIAQXXLNITDO-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001133286151 829616139 /nfs/dbraw/zinc/61/61/39/829616139.db2.gz ZOPIAFIOMVYJPD-ZFWWWQNUSA-N 1 3 340.468 -0.282 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133415639 829630416 /nfs/dbraw/zinc/63/04/16/829630416.db2.gz IKORWHDQTGYGOE-CYBMUJFWSA-N 1 3 336.502 -0.392 20 0 EBADHO CC[C@@H](C(=O)NCCNCC(=O)NCCCOC)[NH+](CC)CC ZINC001133684307 829661185 /nfs/dbraw/zinc/66/11/85/829661185.db2.gz GPFJCOCQWBQZKC-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CC[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+](CC)CC ZINC001133683906 829661317 /nfs/dbraw/zinc/66/13/17/829661317.db2.gz AOXQXSFHFIAIMX-CYBMUJFWSA-N 1 3 336.502 -0.296 20 0 EBADHO CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC1CC1)[NH+](CC)CC ZINC001133685537 829662185 /nfs/dbraw/zinc/66/21/85/829662185.db2.gz VMRABPWGQCWEKU-ZDUSSCGKSA-N 1 3 341.456 -0.199 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133823784 829679333 /nfs/dbraw/zinc/67/93/33/829679333.db2.gz ONPAHACQAUFZAB-AWEZNQCLSA-N 1 3 349.497 -0.372 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001133823586 829679896 /nfs/dbraw/zinc/67/98/96/829679896.db2.gz JWBGOAIKTZKOPJ-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001133823586 829679900 /nfs/dbraw/zinc/67/99/00/829679900.db2.gz JWBGOAIKTZKOPJ-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001133823585 829679933 /nfs/dbraw/zinc/67/99/33/829679933.db2.gz JWBGOAIKTZKOPJ-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001133823585 829679941 /nfs/dbraw/zinc/67/99/41/829679941.db2.gz JWBGOAIKTZKOPJ-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845925 829684792 /nfs/dbraw/zinc/68/47/92/829684792.db2.gz QCODZWWFWRYILD-ZDUSSCGKSA-N 1 3 341.456 -0.484 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845925 829684799 /nfs/dbraw/zinc/68/47/99/829684799.db2.gz QCODZWWFWRYILD-ZDUSSCGKSA-N 1 3 341.456 -0.484 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001133845523 829685533 /nfs/dbraw/zinc/68/55/33/829685533.db2.gz IAKOBJAKCREVQX-KGLIPLIRSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001133853045 829686250 /nfs/dbraw/zinc/68/62/50/829686250.db2.gz AYDPBGKKMLXXFI-CQSZACIVSA-N 1 3 333.436 -0.255 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001133853045 829686253 /nfs/dbraw/zinc/68/62/53/829686253.db2.gz AYDPBGKKMLXXFI-CQSZACIVSA-N 1 3 333.436 -0.255 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CCOC)N(C)C ZINC001133965854 829707388 /nfs/dbraw/zinc/70/73/88/829707388.db2.gz MRQYMERDXHNVKF-ZDUSSCGKSA-N 1 3 337.486 -0.516 20 0 EBADHO CCCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118982 829899922 /nfs/dbraw/zinc/89/99/22/829899922.db2.gz UCKDXGZAPHJCEA-ZDUSSCGKSA-N 1 3 338.456 -0.321 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474408 829972904 /nfs/dbraw/zinc/97/29/04/829972904.db2.gz PHVQHJGUJFSSHC-RYUDHWBXSA-N 1 3 329.445 -0.358 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474574 829973376 /nfs/dbraw/zinc/97/33/76/829973376.db2.gz UNVHFPYPBBGULX-CHWSQXEVSA-N 1 3 343.472 -0.097 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979496 830056194 /nfs/dbraw/zinc/05/61/94/830056194.db2.gz GVIHPBXJZYOHOM-OLZOCXBDSA-N 1 3 336.502 -0.250 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601106 830212853 /nfs/dbraw/zinc/21/28/53/830212853.db2.gz JYDKFDIZCKYYHK-CHWSQXEVSA-N 1 3 341.456 -0.249 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001146709758 830221554 /nfs/dbraw/zinc/22/15/54/830221554.db2.gz CNAUAMFINQXEFQ-UHFFFAOYSA-N 1 3 329.445 -0.342 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001146709758 830221560 /nfs/dbraw/zinc/22/15/60/830221560.db2.gz CNAUAMFINQXEFQ-UHFFFAOYSA-N 1 3 329.445 -0.342 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147822841 830416986 /nfs/dbraw/zinc/41/69/86/830416986.db2.gz BPOFXDPDSKUUAB-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NCc1ccco1 ZINC001147893808 830427396 /nfs/dbraw/zinc/42/73/96/830427396.db2.gz UHTLUJGPNQCKMW-CYBMUJFWSA-N 1 3 340.424 -0.432 20 0 EBADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@H]1CCCO1 ZINC001148000021 830436232 /nfs/dbraw/zinc/43/62/32/830436232.db2.gz IHDJNEOBZHAWNU-ZIAGYGMSSA-N 1 3 338.452 -0.528 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001148365067 830475744 /nfs/dbraw/zinc/47/57/44/830475744.db2.gz FWGFDASSAQRKRA-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001148360095 830475952 /nfs/dbraw/zinc/47/59/52/830475952.db2.gz OAKHNHHFLMOPJM-UHFFFAOYSA-N 1 3 334.486 -0.540 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001148577740 830511309 /nfs/dbraw/zinc/51/13/09/830511309.db2.gz BAQOMMFIRTUPKJ-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001148577740 830511317 /nfs/dbraw/zinc/51/13/17/830511317.db2.gz BAQOMMFIRTUPKJ-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606023 830942342 /nfs/dbraw/zinc/94/23/42/830942342.db2.gz ASCGWDROUPUUFQ-HZPDHXFCSA-N 1 3 345.484 -0.067 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001150620605 830945376 /nfs/dbraw/zinc/94/53/76/830945376.db2.gz UJEWPEBISUUMQV-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCCO1 ZINC001150620605 830945380 /nfs/dbraw/zinc/94/53/80/830945380.db2.gz UJEWPEBISUUMQV-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO COc1ccccc1CNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065471 831019956 /nfs/dbraw/zinc/01/99/56/831019956.db2.gz JYPXGYHGVBTFLY-HNNXBMFYSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1ccccc1CNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065471 831019966 /nfs/dbraw/zinc/01/99/66/831019966.db2.gz JYPXGYHGVBTFLY-HNNXBMFYSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1cccc(CNC(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001151066107 831020293 /nfs/dbraw/zinc/02/02/93/831020293.db2.gz QFCMBDQPKCELBA-HNNXBMFYSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1cccc(CNC(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001151066107 831020309 /nfs/dbraw/zinc/02/03/09/831020309.db2.gz QFCMBDQPKCELBA-HNNXBMFYSA-N 1 3 348.447 -0.031 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001152451941 831164594 /nfs/dbraw/zinc/16/45/94/831164594.db2.gz NDBWIMUJUYTZNP-AWEZNQCLSA-N 1 3 348.513 -0.104 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001152457688 831165749 /nfs/dbraw/zinc/16/57/49/831165749.db2.gz HBBAHAITZCXXBF-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473983 831166947 /nfs/dbraw/zinc/16/69/47/831166947.db2.gz YARFFTUGCAKRJL-NEPJUHHUSA-N 1 3 327.429 -0.604 20 0 EBADHO O=C(CCCC[NH+]1CCCC1)NCCNCC(=O)N1CCOCC1 ZINC001153314035 831221679 /nfs/dbraw/zinc/22/16/79/831221679.db2.gz AOSYIIYRLSGQQX-UHFFFAOYSA-N 1 3 340.468 -0.183 20 0 EBADHO Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@H]3CCCN3C)C2=O)n1 ZINC001155813689 831432096 /nfs/dbraw/zinc/43/20/96/831432096.db2.gz TWDPBEBOJWLXMD-ZIAGYGMSSA-N 1 3 348.451 -0.285 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194590 831461416 /nfs/dbraw/zinc/46/14/16/831461416.db2.gz UTTAABDKTPXFNS-CYBMUJFWSA-N 1 3 341.456 -0.293 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194590 831461421 /nfs/dbraw/zinc/46/14/21/831461421.db2.gz UTTAABDKTPXFNS-CYBMUJFWSA-N 1 3 341.456 -0.293 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O ZINC001156530653 831481574 /nfs/dbraw/zinc/48/15/74/831481574.db2.gz SCOULTTVGLQRBV-CYBMUJFWSA-N 1 3 341.456 -0.293 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCN1C(=O)CNC1=O ZINC001156530653 831481575 /nfs/dbraw/zinc/48/15/75/831481575.db2.gz SCOULTTVGLQRBV-CYBMUJFWSA-N 1 3 341.456 -0.293 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@H](C[NH3+])[C@H]2C)COC1(C)C ZINC001157841207 831596382 /nfs/dbraw/zinc/59/63/82/831596382.db2.gz FQQCQEFKVUQTIX-LOWDOPEQSA-N 1 3 326.441 -0.117 20 0 EBADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001157843469 831597172 /nfs/dbraw/zinc/59/71/72/831597172.db2.gz RFDVYUVPVHJCDC-IHRRRGAJSA-N 1 3 348.451 -0.100 20 0 EBADHO COc1ccc([C@@H](N)CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cn1 ZINC001158093036 831627085 /nfs/dbraw/zinc/62/70/85/831627085.db2.gz QYOKELYCMGZLKP-BLLLJJGKSA-N 1 3 333.392 -0.829 20 0 EBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162047 831632778 /nfs/dbraw/zinc/63/27/78/831632778.db2.gz TVJJSHBDRHUPOH-GXTWGEPZSA-N 1 3 327.450 -0.492 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187144 831637813 /nfs/dbraw/zinc/63/78/13/831637813.db2.gz LUBXYHBOADNCFV-BGMSHATGSA-N 1 3 332.408 -0.736 20 0 EBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335468 831647374 /nfs/dbraw/zinc/64/73/74/831647374.db2.gz UTFKGWFLLFYPOA-HRCADAONSA-N 1 3 328.416 -0.048 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158486667 831660168 /nfs/dbraw/zinc/66/01/68/831660168.db2.gz QLLDWMVESXXLDT-LSDHHAIUSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158486667 831660171 /nfs/dbraw/zinc/66/01/71/831660171.db2.gz QLLDWMVESXXLDT-LSDHHAIUSA-N 1 3 349.435 -0.056 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545670 831664072 /nfs/dbraw/zinc/66/40/72/831664072.db2.gz HWAQAWMPBPIKML-JEJJNBGPSA-N 1 3 336.436 -0.696 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579249 831668145 /nfs/dbraw/zinc/66/81/45/831668145.db2.gz QPIOIFMHYKAAMI-CYDGBPFRSA-N 1 3 326.416 -0.140 20 0 EBADHO CS(=O)(=O)c1nc2c(c(N3CCNC4(CC4)C3)n1)CC[NH2+]CC2 ZINC001158933727 831697118 /nfs/dbraw/zinc/69/71/18/831697118.db2.gz UPCVMRRRDTWHHB-UHFFFAOYSA-N 1 3 337.449 -0.490 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436528 831752585 /nfs/dbraw/zinc/75/25/85/831752585.db2.gz QXUUJCOUNUIIET-CAOSSQGBSA-N 1 3 335.448 -0.020 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159494004 831757076 /nfs/dbraw/zinc/75/70/76/831757076.db2.gz SKKWMOKSQRRIEV-DZGCQCFKSA-N 1 3 348.451 -0.470 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159847261 831788201 /nfs/dbraw/zinc/78/82/01/831788201.db2.gz YDEXXOYOFCYKEX-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853401 831788615 /nfs/dbraw/zinc/78/86/15/831788615.db2.gz DJJSZUQPBPHQHX-UHFFFAOYSA-N 1 3 348.513 -0.104 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)C1CC1 ZINC001159914553 831797212 /nfs/dbraw/zinc/79/72/12/831797212.db2.gz DYHOYJSBJBTFTF-INIZCTEOSA-N 1 3 340.468 -0.282 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914647 831797266 /nfs/dbraw/zinc/79/72/66/831797266.db2.gz FHEZYOYDYXFOAU-DGCLKSJQSA-N 1 3 341.456 -0.343 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193855 831824027 /nfs/dbraw/zinc/82/40/27/831824027.db2.gz RXQPGKLXLGTARW-GFCCVEGCSA-N 1 3 332.412 -0.679 20 0 EBADHO CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001160391845 831842148 /nfs/dbraw/zinc/84/21/48/831842148.db2.gz RJAGYOWLLIXLRJ-KGLIPLIRSA-N 1 3 337.468 -0.779 20 0 EBADHO CN(C)C(=O)CN1CCC2(CCCN2C(=O)CNCCC[NH3+])CC1 ZINC001160390923 831842368 /nfs/dbraw/zinc/84/23/68/831842368.db2.gz HTPFBDDXLDZTAL-UHFFFAOYSA-N 1 3 339.484 -0.530 20 0 EBADHO [NH3+]C[C@]1(Nc2ncccc2C(=O)N2CCNCC2)CN2CCC1CC2 ZINC001160513230 831859794 /nfs/dbraw/zinc/85/97/94/831859794.db2.gz LQENDQOFDVSXMH-SFHVURJKSA-N 1 3 344.463 -0.038 20 0 EBADHO O=C([C@@H]1C[C@H](O)CN1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585980 831867133 /nfs/dbraw/zinc/86/71/33/831867133.db2.gz UYUIMYWAKGSLEC-AAEUAGOBSA-N 1 3 330.388 -0.435 20 0 EBADHO COC(=O)C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160595782 831869208 /nfs/dbraw/zinc/86/92/08/831869208.db2.gz ILPAXYVRGIWTQI-STQMWFEESA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)C[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160595782 831869216 /nfs/dbraw/zinc/86/92/16/831869216.db2.gz ILPAXYVRGIWTQI-STQMWFEESA-N 1 3 325.409 -0.349 20 0 EBADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653138 831877077 /nfs/dbraw/zinc/87/70/77/831877077.db2.gz WEACQQNDNNMVDS-RBSFLKMASA-N 1 3 335.404 -0.242 20 0 EBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160824830 831891909 /nfs/dbraw/zinc/89/19/09/831891909.db2.gz RONDKBFLCGVVRO-JQWIXIFHSA-N 1 3 341.437 -0.582 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883613 831903024 /nfs/dbraw/zinc/90/30/24/831903024.db2.gz PQYJYKUHUGLBOC-GFCCVEGCSA-N 1 3 329.445 -0.342 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C)N(C)C ZINC001160889526 831904064 /nfs/dbraw/zinc/90/40/64/831904064.db2.gz LXRHPKPDLZZSMM-CYBMUJFWSA-N 1 3 343.472 -0.096 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000074 831913876 /nfs/dbraw/zinc/91/38/76/831913876.db2.gz OXYLQTLHLHQDEC-QWHCGFSZSA-N 1 3 326.441 -0.809 20 0 EBADHO CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C1(C)CC[NH2+]CC1 ZINC001161069071 831919075 /nfs/dbraw/zinc/91/90/75/831919075.db2.gz ZVYMTRUCHAJLSK-ZDUSSCGKSA-N 1 3 348.451 -0.086 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066887 831919346 /nfs/dbraw/zinc/91/93/46/831919346.db2.gz DAWLWXBTIKUXGO-NWDGAFQWSA-N 1 3 341.437 -0.973 20 0 EBADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001161306523 831946139 /nfs/dbraw/zinc/94/61/39/831946139.db2.gz ONZQBHJVLWTROB-CQSZACIVSA-N 1 3 331.420 -0.631 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)ccn1 ZINC001161306572 831946474 /nfs/dbraw/zinc/94/64/74/831946474.db2.gz QSQHDFKCPWHBIP-CQSZACIVSA-N 1 3 331.420 -0.452 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413552 831956062 /nfs/dbraw/zinc/95/60/62/831956062.db2.gz QKXWCZANXLGPIR-SYQHCUMBSA-N 1 3 346.435 -0.490 20 0 EBADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C1 ZINC001161488491 831965096 /nfs/dbraw/zinc/96/50/96/831965096.db2.gz CTKOYNNXVPFKSA-SUMWQHHRSA-N 1 3 348.451 -0.099 20 0 EBADHO O=C(NCCC[NH2+]CCn1cncn1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872562 832068897 /nfs/dbraw/zinc/06/88/97/832068897.db2.gz WEXYVLYOYWQTHX-BBBYJDLNSA-N 1 3 334.424 -0.763 20 0 EBADHO O=C(NCCC[NH2+][C@@H]1CCCNC1=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872383 832069192 /nfs/dbraw/zinc/06/91/92/832069192.db2.gz QDLRRDNFEZNTKB-YXXKGXSTSA-N 1 3 336.436 -0.776 20 0 EBADHO c1nc(O[C@H]2CC[NH2+]C2)ncc1NCc1nnn2c1CNCCC2 ZINC001162972225 832072966 /nfs/dbraw/zinc/07/29/66/832072966.db2.gz RVNLIVSCJOFCMU-LBPRGKRZSA-N 1 3 330.396 -0.086 20 0 EBADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001350340978 832156112 /nfs/dbraw/zinc/15/61/12/832156112.db2.gz GAUGWJRQUNBTML-ZFWWWQNUSA-N 1 3 338.452 -0.528 20 0 EBADHO c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc3c(nn1)CCNC3)C2 ZINC001165311439 832214793 /nfs/dbraw/zinc/21/47/93/832214793.db2.gz MCYGOVGHAKHEBU-UHFFFAOYSA-N 1 3 326.408 -0.187 20 0 EBADHO CN(CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001165492057 832223125 /nfs/dbraw/zinc/22/31/25/832223125.db2.gz HSOZUCHMPYDGGA-UHFFFAOYSA-N 1 3 339.440 -0.458 20 0 EBADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1)N(C)C ZINC001165727518 832234817 /nfs/dbraw/zinc/23/48/17/832234817.db2.gz CBEYWNOJWUUIPU-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO C[NH+]1CCC(C(=O)NCCCNCC(=O)Nc2nncs2)CC1 ZINC001165776948 832237732 /nfs/dbraw/zinc/23/77/32/832237732.db2.gz PFFCMCWYZJDYJS-UHFFFAOYSA-N 1 3 340.453 -0.086 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001166627040 832274512 /nfs/dbraw/zinc/27/45/12/832274512.db2.gz ONROHFUWSFXXKZ-CABCVRRESA-N 1 3 340.468 -0.450 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166626416 832275117 /nfs/dbraw/zinc/27/51/17/832275117.db2.gz GDTFIMVGUUPSSA-CYBMUJFWSA-N 1 3 339.440 -0.492 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668193 832278047 /nfs/dbraw/zinc/27/80/47/832278047.db2.gz UVFSEWGBXVURQG-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001166676903 832278678 /nfs/dbraw/zinc/27/86/78/832278678.db2.gz DTRSIHFSWLMJSG-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764890 832287218 /nfs/dbraw/zinc/28/72/18/832287218.db2.gz NBUOJWATZCUFLO-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001167250880 832321656 /nfs/dbraw/zinc/32/16/56/832321656.db2.gz KTOFOBYXCYELFQ-NEPJUHHUSA-N 1 3 341.456 -0.214 20 0 EBADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001167480684 832344487 /nfs/dbraw/zinc/34/44/87/832344487.db2.gz QONCFPVYJZZEFK-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001168763571 832434130 /nfs/dbraw/zinc/43/41/30/832434130.db2.gz POPKIBDLLKXSCG-HZPDHXFCSA-N 1 3 345.484 -0.019 20 0 EBADHO CN1CCC(NC(=O)c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nn2)CC1 ZINC001170778073 832525114 /nfs/dbraw/zinc/52/51/14/832525114.db2.gz KUXMYSIQEXZKBH-BXUZGUMPSA-N 1 3 334.424 -0.707 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001171762439 832574723 /nfs/dbraw/zinc/57/47/23/832574723.db2.gz DTRRNJJUZSQUEY-UHFFFAOYSA-N 1 3 334.486 -0.540 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001171763207 832574828 /nfs/dbraw/zinc/57/48/28/832574828.db2.gz VNFGLEFRBJAYQO-UHFFFAOYSA-N 1 3 328.442 -0.086 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001171769600 832575874 /nfs/dbraw/zinc/57/58/74/832575874.db2.gz ACSGTJFFVXVEBJ-CYBMUJFWSA-N 1 3 343.472 -0.983 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001175264267 832620246 /nfs/dbraw/zinc/62/02/46/832620246.db2.gz RNUWYVLAPOFSAE-QWHCGFSZSA-N 1 3 341.456 -0.212 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCCC1)C(=O)Nc1ncccn1 ZINC001176103037 832657237 /nfs/dbraw/zinc/65/72/37/832657237.db2.gz OFYPPDLBFWJLID-CYBMUJFWSA-N 1 3 334.424 -0.005 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001176975017 832723136 /nfs/dbraw/zinc/72/31/36/832723136.db2.gz HFYQMQGYDCFEDQ-UHFFFAOYSA-N 1 3 336.502 -0.296 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001176980613 832724065 /nfs/dbraw/zinc/72/40/65/832724065.db2.gz LRQICFJKTZSXRV-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178689802 832900933 /nfs/dbraw/zinc/90/09/33/832900933.db2.gz ZUWLRPIYQUITOF-RWMBFGLXSA-N 1 3 339.440 -0.367 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178689802 832900941 /nfs/dbraw/zinc/90/09/41/832900941.db2.gz ZUWLRPIYQUITOF-RWMBFGLXSA-N 1 3 339.440 -0.367 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106806 833900748 /nfs/dbraw/zinc/90/07/48/833900748.db2.gz MIKKWFDVPFBSAM-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106806 833900755 /nfs/dbraw/zinc/90/07/55/833900755.db2.gz MIKKWFDVPFBSAM-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)N1CC[C@@H](N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187106778 833901496 /nfs/dbraw/zinc/90/14/96/833901496.db2.gz LMQVEUSAXVSKAS-HUUCEWRRSA-N 1 3 340.468 -0.236 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001187290944 833916115 /nfs/dbraw/zinc/91/61/15/833916115.db2.gz DQDBYGQHOIDCBX-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001187323035 833919363 /nfs/dbraw/zinc/91/93/63/833919363.db2.gz VCHUJVHXNPUXDS-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001187321497 833919732 /nfs/dbraw/zinc/91/97/32/833919732.db2.gz AVKHNXOVHSMWEH-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001187323034 833919790 /nfs/dbraw/zinc/91/97/90/833919790.db2.gz VCHUJVHXNPUXDS-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC3CC3)C2)C1 ZINC001187825229 833971717 /nfs/dbraw/zinc/97/17/17/833971717.db2.gz GUBRBPJCBDRNDU-WCQYABFASA-N 1 3 337.424 -0.883 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC3CC3)C2)C1 ZINC001187825229 833971723 /nfs/dbraw/zinc/97/17/23/833971723.db2.gz GUBRBPJCBDRNDU-WCQYABFASA-N 1 3 337.424 -0.883 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187826407 833971739 /nfs/dbraw/zinc/97/17/39/833971739.db2.gz ZOLUPQRRZOLOGE-QWHCGFSZSA-N 1 3 332.470 -0.980 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001187826407 833971748 /nfs/dbraw/zinc/97/17/48/833971748.db2.gz ZOLUPQRRZOLOGE-QWHCGFSZSA-N 1 3 332.470 -0.980 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843171 833973443 /nfs/dbraw/zinc/97/34/43/833973443.db2.gz WFCUUFJAAZOYCM-CABCVRRESA-N 1 3 329.441 -0.703 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001187958082 833988439 /nfs/dbraw/zinc/98/84/39/833988439.db2.gz IBQRUVOSAXOBBX-QKPAOTATSA-N 1 3 325.453 -0.132 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC[N@H+]1C ZINC001187958082 833988443 /nfs/dbraw/zinc/98/84/43/833988443.db2.gz IBQRUVOSAXOBBX-QKPAOTATSA-N 1 3 325.453 -0.132 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001188106783 834004942 /nfs/dbraw/zinc/00/49/42/834004942.db2.gz WPHWSSIAXFGSCC-KGLIPLIRSA-N 1 3 336.436 -0.142 20 0 EBADHO CN(C[C@H](O)CN1CCCC1=O)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170106 834621375 /nfs/dbraw/zinc/62/13/75/834621375.db2.gz HIVKBDJGSDHNCY-GJZGRUSLSA-N 1 3 340.468 -0.546 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001195661219 835267778 /nfs/dbraw/zinc/26/77/78/835267778.db2.gz JZDDCUGHTOVJDO-RRFJBIMHSA-N 1 3 325.453 -0.084 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319682 835537632 /nfs/dbraw/zinc/53/76/32/835537632.db2.gz OKJYYBLDBFNDET-NUEKZKHPSA-N 1 3 341.452 -0.705 20 0 EBADHO CC(C)(C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+]1CCCCC1 ZINC001200509182 835977574 /nfs/dbraw/zinc/97/75/74/835977574.db2.gz FNXTVDVGAAQJAB-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687708 836015777 /nfs/dbraw/zinc/01/57/77/836015777.db2.gz GCPNHOSLHIVBJN-KGLIPLIRSA-N 1 3 340.468 -0.058 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688784 836016768 /nfs/dbraw/zinc/01/67/68/836016768.db2.gz VZIOVJDPCUTJOJ-CABCVRRESA-N 1 3 343.468 -0.315 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736875 836026817 /nfs/dbraw/zinc/02/68/17/836026817.db2.gz GGEUTDXNGGTSQQ-ZFWWWQNUSA-N 1 3 328.457 -0.474 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736873 836026879 /nfs/dbraw/zinc/02/68/79/836026879.db2.gz GGEUTDXNGGTSQQ-HIFRSBDPSA-N 1 3 328.457 -0.474 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001200794434 836035260 /nfs/dbraw/zinc/03/52/60/836035260.db2.gz CJQUKANAVZKAKK-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001201327382 836129794 /nfs/dbraw/zinc/12/97/94/836129794.db2.gz MRKUNHPVHZRBNE-UHFFFAOYSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCO[C@H](CNCC(=O)N(C)C)C1)[NH+](C)C ZINC001201343786 836132219 /nfs/dbraw/zinc/13/22/19/836132219.db2.gz LQGVHUIHDXSQJU-GDBMZVCRSA-N 1 3 342.484 -0.132 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCCO1 ZINC001201343519 836132395 /nfs/dbraw/zinc/13/23/95/836132395.db2.gz HUDUTJNEJOYDBE-ARFHVFGLSA-N 1 3 345.484 -0.213 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403086 836141346 /nfs/dbraw/zinc/14/13/46/836141346.db2.gz HMXFUKYUIMFMMF-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001201410292 836142324 /nfs/dbraw/zinc/14/23/24/836142324.db2.gz FVKZIWNLSXYCDH-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481877 836150470 /nfs/dbraw/zinc/15/04/70/836150470.db2.gz HEIKFGRDGUKUFF-ZIAGYGMSSA-N 1 3 326.397 -0.833 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001201482411 836150660 /nfs/dbraw/zinc/15/06/60/836150660.db2.gz IESJRNITQOJIHP-HNNXBMFYSA-N 1 3 349.435 -0.218 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201568207 836160763 /nfs/dbraw/zinc/16/07/63/836160763.db2.gz DROOJYUXUOXILK-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201864474 836208771 /nfs/dbraw/zinc/20/87/71/836208771.db2.gz XVKBCJGMODBNMW-KBPBESRZSA-N 1 3 344.456 -0.964 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1)C(N)=O ZINC001201891093 836211256 /nfs/dbraw/zinc/21/12/56/836211256.db2.gz JIVUFQYHBHWDCJ-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201925344 836216794 /nfs/dbraw/zinc/21/67/94/836216794.db2.gz ZGMQFHVMBMOYGJ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201925344 836216803 /nfs/dbraw/zinc/21/68/03/836216803.db2.gz ZGMQFHVMBMOYGJ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201930631 836218738 /nfs/dbraw/zinc/21/87/38/836218738.db2.gz GEGNTVXDZSCHHO-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201932013 836218826 /nfs/dbraw/zinc/21/88/26/836218826.db2.gz QSDKQHMGMZYUHP-HNNXBMFYSA-N 1 3 338.456 -0.173 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057166 836242320 /nfs/dbraw/zinc/24/23/20/836242320.db2.gz DOMOGPJNTBGCRT-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057166 836242326 /nfs/dbraw/zinc/24/23/26/836242326.db2.gz DOMOGPJNTBGCRT-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057148 836243252 /nfs/dbraw/zinc/24/32/52/836243252.db2.gz CWVCLATWPHQVSE-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057148 836243263 /nfs/dbraw/zinc/24/32/63/836243263.db2.gz CWVCLATWPHQVSE-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001202059428 836244865 /nfs/dbraw/zinc/24/48/65/836244865.db2.gz PLXHNXOSQMNXSM-HIFRSBDPSA-N 1 3 338.452 -0.576 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001202059428 836244874 /nfs/dbraw/zinc/24/48/74/836244874.db2.gz PLXHNXOSQMNXSM-HIFRSBDPSA-N 1 3 338.452 -0.576 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202134033 836259635 /nfs/dbraw/zinc/25/96/35/836259635.db2.gz KQARPGGSRBRZJS-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1)C(N)=O ZINC001202165492 836266396 /nfs/dbraw/zinc/26/63/96/836266396.db2.gz RKVGNPGFIUGOGC-UONOGXRCSA-N 1 3 328.457 -0.202 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001202496150 836307947 /nfs/dbraw/zinc/30/79/47/836307947.db2.gz OYISSJNCQHWOHY-LLVKDONJSA-N 1 3 325.413 -0.896 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001202496712 836308626 /nfs/dbraw/zinc/30/86/26/836308626.db2.gz VIEJQKZZFTUHNB-CYBMUJFWSA-N 1 3 346.497 -0.542 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202532214 836313794 /nfs/dbraw/zinc/31/37/94/836313794.db2.gz VKXAUYXQPKSJEW-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714235 836466858 /nfs/dbraw/zinc/46/68/58/836466858.db2.gz JAGNGYYJYZEOLL-UHFFFAOYSA-N 1 3 332.470 -0.788 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790906 836478358 /nfs/dbraw/zinc/47/83/58/836478358.db2.gz ABYUCFJBAYWXBO-VXGBXAGGSA-N 1 3 339.440 -0.462 20 0 EBADHO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928856 836716285 /nfs/dbraw/zinc/71/62/85/836716285.db2.gz LHVMGLWMTFSMPI-UHFFFAOYSA-N 1 3 325.413 -0.895 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953673 836728071 /nfs/dbraw/zinc/72/80/71/836728071.db2.gz YUGDFAQZXMJXQA-UHFFFAOYSA-N 1 3 341.456 -0.390 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207683618 836843486 /nfs/dbraw/zinc/84/34/86/836843486.db2.gz FVFXVIDJCKBAFC-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070377 836940207 /nfs/dbraw/zinc/94/02/07/836940207.db2.gz KLZLFIKYYBYLRD-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070377 836940210 /nfs/dbraw/zinc/94/02/10/836940210.db2.gz KLZLFIKYYBYLRD-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208073095 836940702 /nfs/dbraw/zinc/94/07/02/836940702.db2.gz BQYWMUVEAVPPIU-FRRDWIJNSA-N 1 3 339.440 -0.508 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001208073095 836940708 /nfs/dbraw/zinc/94/07/08/836940708.db2.gz BQYWMUVEAVPPIU-FRRDWIJNSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208070078 836941330 /nfs/dbraw/zinc/94/13/30/836941330.db2.gz CNGIWKSCDAOPGL-HZSPNIEDSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001208070078 836941338 /nfs/dbraw/zinc/94/13/38/836941338.db2.gz CNGIWKSCDAOPGL-HZSPNIEDSA-N 1 3 331.482 -0.048 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208279351 836981243 /nfs/dbraw/zinc/98/12/43/836981243.db2.gz OBHUDZZNJZJAPT-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208279351 836981254 /nfs/dbraw/zinc/98/12/54/836981254.db2.gz OBHUDZZNJZJAPT-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001208372969 837011672 /nfs/dbraw/zinc/01/16/72/837011672.db2.gz FKKWNOVCKOCPSX-KGLIPLIRSA-N 1 3 348.513 -0.298 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001209303447 837154011 /nfs/dbraw/zinc/15/40/11/837154011.db2.gz JXEFSOHWEBGYNR-LLVKDONJSA-N 1 3 325.413 -0.896 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001209446478 837167665 /nfs/dbraw/zinc/16/76/65/837167665.db2.gz RQHCJVZNBFSPDN-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]1CN(C(=O)CN[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001209456248 837169494 /nfs/dbraw/zinc/16/94/94/837169494.db2.gz YEXYOZLXEVDVOU-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001209615105 837182371 /nfs/dbraw/zinc/18/23/71/837182371.db2.gz SEFYGRNZWMNXTK-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209670186 837188409 /nfs/dbraw/zinc/18/84/09/837188409.db2.gz XMWBENJEDBMERH-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@@H](COCC(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001209714656 837193231 /nfs/dbraw/zinc/19/32/31/837193231.db2.gz ADERBVTWNGYOHY-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CNC(=O)CN[C@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209715781 837193975 /nfs/dbraw/zinc/19/39/75/837193975.db2.gz LFUBQGYETZDFGZ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836810 837205487 /nfs/dbraw/zinc/20/54/87/837205487.db2.gz NTGPCQVHFUECMK-DZGCQCFKSA-N 1 3 340.424 -0.443 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210220804 837255934 /nfs/dbraw/zinc/25/59/34/837255934.db2.gz WXWUTBVSFRWVLW-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210228389 837257261 /nfs/dbraw/zinc/25/72/61/837257261.db2.gz IDLIOGFKUCEFDD-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678969 837317846 /nfs/dbraw/zinc/31/78/46/837317846.db2.gz ZBWNYTTUMREMII-CQSZACIVSA-N 1 3 338.456 -0.043 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064755 837379126 /nfs/dbraw/zinc/37/91/26/837379126.db2.gz QLFMPIVABLNWLA-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064755 837379133 /nfs/dbraw/zinc/37/91/33/837379133.db2.gz QLFMPIVABLNWLA-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064753 837379889 /nfs/dbraw/zinc/37/98/89/837379889.db2.gz QLFMPIVABLNWLA-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064753 837379904 /nfs/dbraw/zinc/37/99/04/837379904.db2.gz QLFMPIVABLNWLA-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001321549192 839016141 /nfs/dbraw/zinc/01/61/41/839016141.db2.gz AKYHODABVFVIHJ-DOMZBBRYSA-N 1 3 326.441 -0.184 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001325096431 839777308 /nfs/dbraw/zinc/77/73/08/839777308.db2.gz IACJKYMIJLBLFT-NVXWUHKLSA-N 1 3 343.468 -0.579 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001325096431 839777315 /nfs/dbraw/zinc/77/73/15/839777315.db2.gz IACJKYMIJLBLFT-NVXWUHKLSA-N 1 3 343.468 -0.579 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(F)n1 ZINC001325193888 839814921 /nfs/dbraw/zinc/81/49/21/839814921.db2.gz RCGNOVNCRXUBAH-UHFFFAOYSA-N 1 3 339.415 -0.211 20 0 EBADHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001326290188 840081959 /nfs/dbraw/zinc/08/19/59/840081959.db2.gz UNSYQXVSZMESBF-GFCCVEGCSA-N 1 3 339.440 -0.506 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326561380 840135106 /nfs/dbraw/zinc/13/51/06/840135106.db2.gz ONCVTPDNLOYOIF-YOEHRIQHSA-N 1 3 340.468 -0.390 20 0 EBADHO O=C(NCC1CC[NH2+]CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327485607 840433630 /nfs/dbraw/zinc/43/36/30/840433630.db2.gz MNSPQKMZLDDWCW-HNNXBMFYSA-N 1 3 338.452 -0.528 20 0 EBADHO COCCCN1CCC([NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC001327977580 840562591 /nfs/dbraw/zinc/56/25/91/840562591.db2.gz HZCQWTQOHUFGPH-QGZVFWFLSA-N 1 3 328.501 -0.315 20 0 EBADHO O=C(NCCC[NH2+]C1CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001328368258 840663572 /nfs/dbraw/zinc/66/35/72/840663572.db2.gz PAGCGSVNULJPEG-HNNXBMFYSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC001330209090 841143727 /nfs/dbraw/zinc/14/37/27/841143727.db2.gz NOSGKADQAQVVTG-KBPBESRZSA-N 1 3 328.457 -0.521 20 0 EBADHO C[C@H](CCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001330834415 841279365 /nfs/dbraw/zinc/27/93/65/841279365.db2.gz CEKFCQBEVBCYCV-VXGBXAGGSA-N 1 3 341.456 -0.071 20 0 EBADHO CN1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CCC1(C)C ZINC001331314228 841390074 /nfs/dbraw/zinc/39/00/74/841390074.db2.gz HWUCHVMDEYATMQ-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CC(C)NC(=O)NCCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331710919 841465276 /nfs/dbraw/zinc/46/52/76/841465276.db2.gz DKNNYFFOEKCSMU-MGPQQGTHSA-N 1 3 343.472 -0.899 20 0 EBADHO CC(C)NC(=O)NCCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001331710919 841465282 /nfs/dbraw/zinc/46/52/82/841465282.db2.gz DKNNYFFOEKCSMU-MGPQQGTHSA-N 1 3 343.472 -0.899 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332502321 841654443 /nfs/dbraw/zinc/65/44/43/841654443.db2.gz BLBKOJAYYGYPRD-GJZGRUSLSA-N 1 3 338.456 -0.440 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001333140875 841804302 /nfs/dbraw/zinc/80/43/02/841804302.db2.gz KNBHHZYYDMXVMX-RUXDESIVSA-N 1 3 348.513 -0.299 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001335646139 842323639 /nfs/dbraw/zinc/32/36/39/842323639.db2.gz MDDYIHGNAHJVPG-UHFFFAOYSA-N 1 3 340.516 -0.312 20 0 EBADHO C[N@@H+]1CC[C@@](O)(CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001336003573 842382695 /nfs/dbraw/zinc/38/26/95/842382695.db2.gz WEAMPOVEBUVDTH-YVEFUNNKSA-N 1 3 333.388 -0.700 20 0 EBADHO C[N@H+]1CC[C@@](O)(CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001336003573 842382709 /nfs/dbraw/zinc/38/27/09/842382709.db2.gz WEAMPOVEBUVDTH-YVEFUNNKSA-N 1 3 333.388 -0.700 20 0 EBADHO CCN1CCN(CCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001338420660 842795833 /nfs/dbraw/zinc/79/58/33/842795833.db2.gz AHGNCQXKCYBMOX-INIZCTEOSA-N 1 3 329.485 -0.104 20 0 EBADHO CCN1CCN(CCC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001338420662 842796139 /nfs/dbraw/zinc/79/61/39/842796139.db2.gz AHGNCQXKCYBMOX-MRXNPFEDSA-N 1 3 329.485 -0.104 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COC(C)(C)C1 ZINC001342346153 843155709 /nfs/dbraw/zinc/15/57/09/843155709.db2.gz JVEAOWVVZURYNR-CYBMUJFWSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001342535985 843167864 /nfs/dbraw/zinc/16/78/64/843167864.db2.gz OCEOGLSYXOVOEF-NRSFXHEJSA-N 1 3 347.507 -0.198 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC001343313507 843219708 /nfs/dbraw/zinc/21/97/08/843219708.db2.gz YTDGNTBBLGIRGM-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001691178148 1125841218 /nfs/dbraw/zinc/84/12/18/1125841218.db2.gz NVEJFKOYWNHUNE-ABHRYQDASA-N 1 3 338.452 -0.138 20 0 EBADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCN1CCNC1=O ZINC001493332659 1125895757 /nfs/dbraw/zinc/89/57/57/1125895757.db2.gz SVMXAZROADWFIA-CQSZACIVSA-N 1 3 325.457 -0.209 20 0 EBADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCN1CCNC1=O ZINC001493332659 1125895759 /nfs/dbraw/zinc/89/57/59/1125895759.db2.gz SVMXAZROADWFIA-CQSZACIVSA-N 1 3 325.457 -0.209 20 0 EBADHO CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1C ZINC001481215468 1125945131 /nfs/dbraw/zinc/94/51/31/1125945131.db2.gz JNGPMPGCECIAKK-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506414 1126004924 /nfs/dbraw/zinc/00/49/24/1126004924.db2.gz CRIKVDQJMBNGGM-CHWSQXEVSA-N 1 3 339.440 -0.554 20 0 EBADHO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506414 1126004926 /nfs/dbraw/zinc/00/49/26/1126004926.db2.gz CRIKVDQJMBNGGM-CHWSQXEVSA-N 1 3 339.440 -0.554 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481507038 1126005270 /nfs/dbraw/zinc/00/52/70/1126005270.db2.gz PVEHLLQFEKKPEJ-UONOGXRCSA-N 1 3 346.497 -0.732 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481507038 1126005272 /nfs/dbraw/zinc/00/52/72/1126005272.db2.gz PVEHLLQFEKKPEJ-UONOGXRCSA-N 1 3 346.497 -0.732 20 0 EBADHO CCCN(C)CC(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001482007089 1126071712 /nfs/dbraw/zinc/07/17/12/1126071712.db2.gz OPMZVNGFIUXKSF-UHFFFAOYSA-N 1 3 341.456 -0.259 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001482060698 1126074844 /nfs/dbraw/zinc/07/48/44/1126074844.db2.gz NMPDLMSEMVGPIK-OWCLPIDISA-N 1 3 335.452 -0.081 20 0 EBADHO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482291695 1126121150 /nfs/dbraw/zinc/12/11/50/1126121150.db2.gz LZDMCDYUFQYAHA-ZDUSSCGKSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482330983 1126133267 /nfs/dbraw/zinc/13/32/67/1126133267.db2.gz NGSLJZUVNFWLMH-LLVKDONJSA-N 1 3 329.445 -0.404 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C(C)C ZINC001482565613 1126198301 /nfs/dbraw/zinc/19/83/01/1126198301.db2.gz JGIVAIRHVMGJKM-STQMWFEESA-N 1 3 326.441 -0.136 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001648976254 1126210471 /nfs/dbraw/zinc/21/04/71/1126210471.db2.gz KNLJMCMICWUYDQ-RDJZCZTQSA-N 1 3 326.485 -0.119 20 0 EBADHO COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728154 1126268100 /nfs/dbraw/zinc/26/81/00/1126268100.db2.gz FKTDTYPJFDMTNL-CVEARBPZSA-N 1 3 348.447 -0.001 20 0 EBADHO CC(C)(C(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)N1CCCCC1 ZINC001482727864 1126268106 /nfs/dbraw/zinc/26/81/06/1126268106.db2.gz CZRRTYHVPLFQCU-ZIAGYGMSSA-N 1 3 340.468 -0.404 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)NC(N)=O ZINC001483014933 1126312810 /nfs/dbraw/zinc/31/28/10/1126312810.db2.gz CAFFAQXLSIOOIS-DIABFLQPSA-N 1 3 339.440 -0.294 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)NC(N)=O ZINC001483014933 1126312811 /nfs/dbraw/zinc/31/28/11/1126312811.db2.gz CAFFAQXLSIOOIS-DIABFLQPSA-N 1 3 339.440 -0.294 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N2CCOCC2)C1 ZINC001483059621 1126327204 /nfs/dbraw/zinc/32/72/04/1126327204.db2.gz VLIVJEUDNGGJQA-MPNWYJEXSA-N 1 3 338.452 -0.551 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N2CCOCC2)C1 ZINC001483059621 1126327205 /nfs/dbraw/zinc/32/72/05/1126327205.db2.gz VLIVJEUDNGGJQA-MPNWYJEXSA-N 1 3 338.452 -0.551 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001483098730 1126332674 /nfs/dbraw/zinc/33/26/74/1126332674.db2.gz SSZVKOPXEROCMP-HSWBROFVSA-N 1 3 336.436 -0.070 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001483227103 1126355807 /nfs/dbraw/zinc/35/58/07/1126355807.db2.gz UKWPCZPYIGLFHW-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001483227103 1126355809 /nfs/dbraw/zinc/35/58/09/1126355809.db2.gz UKWPCZPYIGLFHW-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481390 1126370796 /nfs/dbraw/zinc/37/07/96/1126370796.db2.gz WYHJNAQMFRRPDO-UONOGXRCSA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@@H](CNCCNS(C)(=O)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483240112 1126409084 /nfs/dbraw/zinc/40/90/84/1126409084.db2.gz MHGQKLMKMFZIJK-ZDUSSCGKSA-N 1 3 346.497 -0.494 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483296183 1126415172 /nfs/dbraw/zinc/41/51/72/1126415172.db2.gz AFBHQRFNUWAXMZ-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001483456096 1126428691 /nfs/dbraw/zinc/42/86/91/1126428691.db2.gz MOBKIBNWGNDGJA-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483417536 1126426357 /nfs/dbraw/zinc/42/63/57/1126426357.db2.gz MHNYTFMHVUJDDV-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483417536 1126426358 /nfs/dbraw/zinc/42/63/58/1126426358.db2.gz MHNYTFMHVUJDDV-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001493546501 1126467087 /nfs/dbraw/zinc/46/70/87/1126467087.db2.gz OZSGGFXXOXKIBU-NEPJUHHUSA-N 1 3 327.429 -0.509 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001493546501 1126467088 /nfs/dbraw/zinc/46/70/88/1126467088.db2.gz OZSGGFXXOXKIBU-NEPJUHHUSA-N 1 3 327.429 -0.509 20 0 EBADHO O=C(NC[C@@]1(O)CCN(CCn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001484216394 1126523825 /nfs/dbraw/zinc/52/38/25/1126523825.db2.gz LUBUKYYGSBEQIS-WMZOPIPTSA-N 1 3 347.463 -0.222 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001484493988 1126596725 /nfs/dbraw/zinc/59/67/25/1126596725.db2.gz MWOWZFIGQXWBKI-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699298 1126622496 /nfs/dbraw/zinc/62/24/96/1126622496.db2.gz OEALIENQWWQULG-KGLIPLIRSA-N 1 3 340.468 -0.330 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699298 1126622498 /nfs/dbraw/zinc/62/24/98/1126622498.db2.gz OEALIENQWWQULG-KGLIPLIRSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001484695222 1126624551 /nfs/dbraw/zinc/62/45/51/1126624551.db2.gz AOSSYEGRGNJIEV-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484903990 1126651845 /nfs/dbraw/zinc/65/18/45/1126651845.db2.gz OTAAYXZPNOVCAB-OLZOCXBDSA-N 1 3 339.440 -0.650 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)N(C)C2(C[NH3+])CCOCC2)CC1=O ZINC001649111446 1126875421 /nfs/dbraw/zinc/87/54/21/1126875421.db2.gz GWLFVYGKRLROQP-ZDUSSCGKSA-N 1 3 326.441 -0.637 20 0 EBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCNS(C)(=O)=O ZINC001485881747 1126905536 /nfs/dbraw/zinc/90/55/36/1126905536.db2.gz KJWKXXMNXBCGCK-LBPRGKRZSA-N 1 3 334.486 -0.544 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001485891946 1126909573 /nfs/dbraw/zinc/90/95/73/1126909573.db2.gz LFNNWMVKXJBTAC-VXGBXAGGSA-N 1 3 327.429 -0.685 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001485909381 1126913568 /nfs/dbraw/zinc/91/35/68/1126913568.db2.gz LWXPILAFOUEXPE-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280845 1127077639 /nfs/dbraw/zinc/07/76/39/1127077639.db2.gz JQAITBOSOXGIKC-LSDHHAIUSA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001486280845 1127077643 /nfs/dbraw/zinc/07/76/43/1127077643.db2.gz JQAITBOSOXGIKC-LSDHHAIUSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001486316870 1127118683 /nfs/dbraw/zinc/11/86/83/1127118683.db2.gz ADBNHPHZCHPNNG-UONOGXRCSA-N 1 3 338.456 -0.486 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486317860 1127120073 /nfs/dbraw/zinc/12/00/73/1127120073.db2.gz RIIUSPFNLDBXKZ-UKRRQHHQSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486317860 1127120077 /nfs/dbraw/zinc/12/00/77/1127120077.db2.gz RIIUSPFNLDBXKZ-UKRRQHHQSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C)C1CC[NH+](CC(N)=O)CC1 ZINC001486450482 1127177340 /nfs/dbraw/zinc/17/73/40/1127177340.db2.gz KIVTUWPDAIUARD-KBPBESRZSA-N 1 3 340.468 -0.343 20 0 EBADHO CN(CCOCCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486498448 1127191795 /nfs/dbraw/zinc/19/17/95/1127191795.db2.gz AQKMGUHSZWXRAB-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(CCOCCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486498448 1127191798 /nfs/dbraw/zinc/19/17/98/1127191798.db2.gz AQKMGUHSZWXRAB-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410128953 1127594680 /nfs/dbraw/zinc/59/46/80/1127594680.db2.gz MOVGMCDSCSLLFS-KKUMJFAQSA-N 1 3 342.484 -0.350 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001410128953 1127594682 /nfs/dbraw/zinc/59/46/82/1127594682.db2.gz MOVGMCDSCSLLFS-KKUMJFAQSA-N 1 3 342.484 -0.350 20 0 EBADHO CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144258 1127607379 /nfs/dbraw/zinc/60/73/79/1127607379.db2.gz BYHQQWBHWWYSOZ-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001410151375 1127629685 /nfs/dbraw/zinc/62/96/85/1127629685.db2.gz LBTXLDYWVOCXTR-ZFWWWQNUSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482852 1127726386 /nfs/dbraw/zinc/72/63/86/1127726386.db2.gz RWPCRIHMXGQPBH-OLZOCXBDSA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@H](CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001410740885 1127854944 /nfs/dbraw/zinc/85/49/44/1127854944.db2.gz XZIBRRWULGYJRF-TZMCWYRMSA-N 1 3 349.497 -0.924 20 0 EBADHO CCN1CC[C@@H](N[C@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767486 1127872685 /nfs/dbraw/zinc/87/26/85/1127872685.db2.gz XHPDMILOWOLOSM-LSDHHAIUSA-N 1 3 340.468 -0.594 20 0 EBADHO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001411039190 1127983722 /nfs/dbraw/zinc/98/37/22/1127983722.db2.gz GCAVSIBXWQGHMO-ZIAGYGMSSA-N 1 3 340.468 -0.500 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001411082214 1128007720 /nfs/dbraw/zinc/00/77/20/1128007720.db2.gz MREVWTULRNLIOM-AWEZNQCLSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001411101866 1128016194 /nfs/dbraw/zinc/01/61/94/1128016194.db2.gz SFNIZIJVSWWYDB-CHWSQXEVSA-N 1 3 326.441 -0.842 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001411135195 1128031392 /nfs/dbraw/zinc/03/13/92/1128031392.db2.gz XSXXMYWYFHRXDM-HNNXBMFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC001411253526 1128105280 /nfs/dbraw/zinc/10/52/80/1128105280.db2.gz OJKZSVWSWVRFLI-UHFFFAOYSA-N 1 3 325.457 -0.069 20 0 EBADHO CCN(CC)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001488002946 1128539490 /nfs/dbraw/zinc/53/94/90/1128539490.db2.gz UQAWLMJCFISBSX-SOUVJXGZSA-N 1 3 342.484 -0.348 20 0 EBADHO CCN(CC)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001488002946 1128539497 /nfs/dbraw/zinc/53/94/97/1128539497.db2.gz UQAWLMJCFISBSX-SOUVJXGZSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001488051125 1128550292 /nfs/dbraw/zinc/55/02/92/1128550292.db2.gz XQXALJYFNDFEHK-CYBMUJFWSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001488030080 1128571149 /nfs/dbraw/zinc/57/11/49/1128571149.db2.gz PICMUKUUDQUJQC-AWEZNQCLSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C)C1(C(=O)N[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001488029990 1128571325 /nfs/dbraw/zinc/57/13/25/1128571325.db2.gz NWFDPJMEKLRRJZ-AWEZNQCLSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403239 1128741290 /nfs/dbraw/zinc/74/12/90/1128741290.db2.gz QTBSRDVOIWCSNH-LSDHHAIUSA-N 1 3 342.484 -0.254 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001489348844 1128963387 /nfs/dbraw/zinc/96/33/87/1128963387.db2.gz OILULQQQTJNSNT-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001489348844 1128963389 /nfs/dbraw/zinc/96/33/89/1128963389.db2.gz OILULQQQTJNSNT-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O)N(C)C ZINC001489364475 1128966847 /nfs/dbraw/zinc/96/68/47/1128966847.db2.gz ACQBEHFBIJELFC-TUVASFSCSA-N 1 3 342.484 -0.399 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001489609399 1129014086 /nfs/dbraw/zinc/01/40/86/1129014086.db2.gz VZLGXZBOWOYGHS-KGLIPLIRSA-N 1 3 340.468 -0.500 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)N(C)C ZINC001414049460 1131354794 /nfs/dbraw/zinc/35/47/94/1131354794.db2.gz KOUASJDPGXMQMJ-IPYPFGDCSA-N 1 3 328.457 -0.788 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001412885089 1129757918 /nfs/dbraw/zinc/75/79/18/1129757918.db2.gz SJDBWOXLWRYFRP-MGPQQGTHSA-N 1 3 340.468 -0.596 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001412885089 1129757922 /nfs/dbraw/zinc/75/79/22/1129757922.db2.gz SJDBWOXLWRYFRP-MGPQQGTHSA-N 1 3 340.468 -0.596 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001413299496 1129997881 /nfs/dbraw/zinc/99/78/81/1129997881.db2.gz SUCDBTSOSJGWSL-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337845 1130026202 /nfs/dbraw/zinc/02/62/02/1130026202.db2.gz QMIOQEAUNUGWOA-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CCC1 ZINC001490897308 1130229279 /nfs/dbraw/zinc/22/92/79/1130229279.db2.gz GXHNKFSFQRORQH-JOCQHMNTSA-N 1 3 336.436 -0.144 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001490928299 1130266800 /nfs/dbraw/zinc/26/68/00/1130266800.db2.gz LOXYVOIHNURYSL-FDYHWXHSSA-N 1 3 339.440 -0.591 20 0 EBADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N1CCCCC1 ZINC001491019124 1130291025 /nfs/dbraw/zinc/29/10/25/1130291025.db2.gz PHMLUNUGPUVYIZ-TXEJJXNPSA-N 1 3 339.440 -0.317 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O ZINC001413969928 1130874359 /nfs/dbraw/zinc/87/43/59/1130874359.db2.gz QKPWALJFKJECGO-RBSFLKMASA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O ZINC001413969928 1130874365 /nfs/dbraw/zinc/87/43/65/1130874365.db2.gz QKPWALJFKJECGO-RBSFLKMASA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365830301 1132822077 /nfs/dbraw/zinc/82/20/77/1132822077.db2.gz BJNCAVOHBNHOLA-JHJVBQTASA-N 1 3 339.440 -0.462 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001366097196 1133002408 /nfs/dbraw/zinc/00/24/08/1133002408.db2.gz DZESGJCXDPDMSU-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)Nc1ncccn1 ZINC001366125185 1133017413 /nfs/dbraw/zinc/01/74/13/1133017413.db2.gz QPWPIKFDDDCQBZ-JHJVBQTASA-N 1 3 334.424 -0.008 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001366125337 1133017810 /nfs/dbraw/zinc/01/78/10/1133017810.db2.gz IYFPTAKQNOBFQD-SRVKXCTJSA-N 1 3 327.429 -0.591 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001366146394 1133025531 /nfs/dbraw/zinc/02/55/31/1133025531.db2.gz AQDHSMYDQJTRTI-PHIMTYICSA-N 1 3 325.413 -0.837 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366147026 1133026195 /nfs/dbraw/zinc/02/61/95/1133026195.db2.gz OJFUYEBDUXNRAP-TUAOUCFPSA-N 1 3 345.419 -0.641 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O ZINC001366217960 1133060315 /nfs/dbraw/zinc/06/03/15/1133060315.db2.gz MNODFHWGILTIQY-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001366238089 1133069932 /nfs/dbraw/zinc/06/99/32/1133069932.db2.gz MNVDIAVIZLUMJQ-SEBNEYGDSA-N 1 3 340.443 -0.009 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001366238089 1133069939 /nfs/dbraw/zinc/06/99/39/1133069939.db2.gz MNVDIAVIZLUMJQ-SEBNEYGDSA-N 1 3 340.443 -0.009 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001366238038 1133070392 /nfs/dbraw/zinc/07/03/92/1133070392.db2.gz MNVDIAVIZLUMJQ-AIEDFZFUSA-N 1 3 340.443 -0.009 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001366238038 1133070397 /nfs/dbraw/zinc/07/03/97/1133070397.db2.gz MNVDIAVIZLUMJQ-AIEDFZFUSA-N 1 3 340.443 -0.009 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001366238091 1133070507 /nfs/dbraw/zinc/07/05/07/1133070507.db2.gz MNVDIAVIZLUMJQ-XPABHHOTSA-N 1 3 340.443 -0.009 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001366238091 1133070509 /nfs/dbraw/zinc/07/05/09/1133070509.db2.gz MNVDIAVIZLUMJQ-XPABHHOTSA-N 1 3 340.443 -0.009 20 0 EBADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001366481379 1133155676 /nfs/dbraw/zinc/15/56/76/1133155676.db2.gz AGUUNQFPNQAFKN-GOEBONIOSA-N 1 3 342.484 -0.084 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366780309 1133295394 /nfs/dbraw/zinc/29/53/94/1133295394.db2.gz DOAMCIFKJIFOKB-GFCCVEGCSA-N 1 3 339.440 -0.506 20 0 EBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)N(C)C ZINC001366814527 1133303595 /nfs/dbraw/zinc/30/35/95/1133303595.db2.gz IVJCGKHFPSIMRL-CHWSQXEVSA-N 1 3 343.472 -0.003 20 0 EBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366844556 1133315358 /nfs/dbraw/zinc/31/53/58/1133315358.db2.gz KZOFGUWOPUERQV-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H](CNCC(=O)NC1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001367375501 1133569022 /nfs/dbraw/zinc/56/90/22/1133569022.db2.gz KDKAPRJVHRTOLJ-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001367589968 1133661255 /nfs/dbraw/zinc/66/12/55/1133661255.db2.gz CBVPFHHZNCJIGS-STQMWFEESA-N 1 3 326.441 -0.842 20 0 EBADHO CC(C)N1CC[C@@H](NC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600921 1133678093 /nfs/dbraw/zinc/67/80/93/1133678093.db2.gz LZDBXWMRAVTEKL-UONOGXRCSA-N 1 3 340.468 -0.596 20 0 EBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001367603930 1133682140 /nfs/dbraw/zinc/68/21/40/1133682140.db2.gz VRVLVDVVFJDXID-CQSZACIVSA-N 1 3 342.484 -0.206 20 0 EBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001367603930 1133682152 /nfs/dbraw/zinc/68/21/52/1133682152.db2.gz VRVLVDVVFJDXID-CQSZACIVSA-N 1 3 342.484 -0.206 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614438 1133695166 /nfs/dbraw/zinc/69/51/66/1133695166.db2.gz AJMKPJWXLBRBNH-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614438 1133695168 /nfs/dbraw/zinc/69/51/68/1133695168.db2.gz AJMKPJWXLBRBNH-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109600 1133942209 /nfs/dbraw/zinc/94/22/09/1133942209.db2.gz NSJOFZCLWRDEFC-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001368146612 1133959421 /nfs/dbraw/zinc/95/94/21/1133959421.db2.gz QFRWQEHGWMUOEM-INIZCTEOSA-N 1 3 326.485 -0.071 20 0 EBADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001368146612 1133959425 /nfs/dbraw/zinc/95/94/25/1133959425.db2.gz QFRWQEHGWMUOEM-INIZCTEOSA-N 1 3 326.485 -0.071 20 0 EBADHO C[C@@H]([NH2+]CCS(C)(=O)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368332326 1134153117 /nfs/dbraw/zinc/15/31/17/1134153117.db2.gz HUDKMZDXKVMKKI-NEPJUHHUSA-N 1 3 328.438 -0.177 20 0 EBADHO CN1CCC[C@@H](NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001368413651 1134212865 /nfs/dbraw/zinc/21/28/65/1134212865.db2.gz SBCOFWAWKLKDBN-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CN1CCC[C@@H](NCCN(CCO)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001368413651 1134212869 /nfs/dbraw/zinc/21/28/69/1134212869.db2.gz SBCOFWAWKLKDBN-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523346 1134274351 /nfs/dbraw/zinc/27/43/51/1134274351.db2.gz XQBFBCCPBRCDOJ-LSDHHAIUSA-N 1 3 340.468 -0.057 20 0 EBADHO CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001368692655 1134393793 /nfs/dbraw/zinc/39/37/93/1134393793.db2.gz ZEYALTPYFUVNAP-UHFFFAOYSA-N 1 3 340.468 -0.450 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCOCC1 ZINC001368895090 1134478254 /nfs/dbraw/zinc/47/82/54/1134478254.db2.gz PQYZONWOOJTBPL-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCOCC1 ZINC001368895090 1134478257 /nfs/dbraw/zinc/47/82/57/1134478257.db2.gz PQYZONWOOJTBPL-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001368919744 1134484192 /nfs/dbraw/zinc/48/41/92/1134484192.db2.gz RSVCWNRDLACWHH-NEPJUHHUSA-N 1 3 343.472 -0.016 20 0 EBADHO CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147851 1134592657 /nfs/dbraw/zinc/59/26/57/1134592657.db2.gz CIIOOUGNWJQZHN-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155572 1134597039 /nfs/dbraw/zinc/59/70/39/1134597039.db2.gz JUVUBNIGPXDPNB-HUUCEWRRSA-N 1 3 340.468 -0.236 20 0 EBADHO C[C@@H](NCC(=O)N(C)C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158618 1134599570 /nfs/dbraw/zinc/59/95/70/1134599570.db2.gz NAJGTBTYPRKAJA-ZIAGYGMSSA-N 1 3 338.452 -0.624 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369251448 1134630353 /nfs/dbraw/zinc/63/03/53/1134630353.db2.gz QCJLBJSMAOWMLD-RYUDHWBXSA-N 1 3 341.456 -0.249 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277817 1134638589 /nfs/dbraw/zinc/63/85/89/1134638589.db2.gz PCCANELFOWXVTM-VXGBXAGGSA-N 1 3 329.445 -0.391 20 0 EBADHO Cn1ccc(CN[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1=O ZINC001369351089 1134700793 /nfs/dbraw/zinc/70/07/93/1134700793.db2.gz SPJRLAOOMFNMKB-HNNXBMFYSA-N 1 3 336.436 -0.706 20 0 EBADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001369390578 1134751403 /nfs/dbraw/zinc/75/14/03/1134751403.db2.gz LPHYQVYNXNXUHS-HIFRSBDPSA-N 1 3 340.468 -0.236 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001369401932 1134761198 /nfs/dbraw/zinc/76/11/98/1134761198.db2.gz NDOBTMJBEPZHBC-OLZOCXBDSA-N 1 3 338.456 -0.081 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001369401932 1134761209 /nfs/dbraw/zinc/76/12/09/1134761209.db2.gz NDOBTMJBEPZHBC-OLZOCXBDSA-N 1 3 338.456 -0.081 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406761 1134763731 /nfs/dbraw/zinc/76/37/31/1134763731.db2.gz RCBOPFRVOAXXDA-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(=O)NC)C[C@H]1C ZINC001369409329 1134765973 /nfs/dbraw/zinc/76/59/73/1134765973.db2.gz VZEDUPYFTAIQNF-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(=O)NC)C[C@H]1C ZINC001369409329 1134765978 /nfs/dbraw/zinc/76/59/78/1134765978.db2.gz VZEDUPYFTAIQNF-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)CN(C)C1CCC1 ZINC001369471986 1134826381 /nfs/dbraw/zinc/82/63/81/1134826381.db2.gz LBYCUYZZZUUMEV-OAHLLOKOSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001369475769 1134835449 /nfs/dbraw/zinc/83/54/49/1134835449.db2.gz SPPUESOSIKVOTE-CHWSQXEVSA-N 1 3 328.457 -0.644 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369489474 1134863380 /nfs/dbraw/zinc/86/33/80/1134863380.db2.gz VTFSAFXJUYCTLA-HNNXBMFYSA-N 1 3 337.468 -0.021 20 0 EBADHO CN(C(=O)CC[NH+](C)C)C1CCN(CCN2CCNC2=O)CC1 ZINC001369779678 1135015273 /nfs/dbraw/zinc/01/52/73/1135015273.db2.gz NRCMUQPGXKJWPQ-UHFFFAOYSA-N 1 3 325.457 -0.114 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001370014300 1135174569 /nfs/dbraw/zinc/17/45/69/1135174569.db2.gz HBMLVIFFKJSJCC-CABCVRRESA-N 1 3 335.452 -0.224 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1 ZINC001370257309 1135272607 /nfs/dbraw/zinc/27/26/07/1135272607.db2.gz QJNSRPOARDRIKQ-JQWIXIFHSA-N 1 3 325.413 -0.993 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1 ZINC001370257309 1135272610 /nfs/dbraw/zinc/27/26/10/1135272610.db2.gz QJNSRPOARDRIKQ-JQWIXIFHSA-N 1 3 325.413 -0.993 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC001370758039 1135600707 /nfs/dbraw/zinc/60/07/07/1135600707.db2.gz QZYAMBPSLXXPTG-KGLIPLIRSA-N 1 3 342.484 -0.350 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O)N(C)C ZINC001371461818 1135922651 /nfs/dbraw/zinc/92/26/51/1135922651.db2.gz PJNMUMGWEJWPTD-FMKPAKJESA-N 1 3 342.484 -0.398 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)N(C)C ZINC001371537950 1135960791 /nfs/dbraw/zinc/96/07/91/1135960791.db2.gz PJNMUMGWEJWPTD-YCPHGPKFSA-N 1 3 342.484 -0.398 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C1 ZINC001371539523 1135961758 /nfs/dbraw/zinc/96/17/58/1135961758.db2.gz ZWPFSQCSPUDQNG-KFWWJZLASA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@@H](O)C1 ZINC001371539523 1135961762 /nfs/dbraw/zinc/96/17/62/1135961762.db2.gz ZWPFSQCSPUDQNG-KFWWJZLASA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001371835859 1136030290 /nfs/dbraw/zinc/03/02/90/1136030290.db2.gz DHYFFDGZJZLFEW-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)C[C@H](O)Cn1cccn1 ZINC001372032071 1136093612 /nfs/dbraw/zinc/09/36/12/1136093612.db2.gz ZRUCFEBUUMTSOX-HNNXBMFYSA-N 1 3 335.452 -0.080 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001373322277 1136428613 /nfs/dbraw/zinc/42/86/13/1136428613.db2.gz WUEGKUZMUJPDQZ-LBPRGKRZSA-N 1 3 341.456 -0.308 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832895 1136569744 /nfs/dbraw/zinc/56/97/44/1136569744.db2.gz SBXCJCWVKGZVHE-RYUDHWBXSA-N 1 3 339.440 -0.589 20 0 EBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832895 1136569747 /nfs/dbraw/zinc/56/97/47/1136569747.db2.gz SBXCJCWVKGZVHE-RYUDHWBXSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H](CNC(=O)[C@@H](C)CN1CCOCC1)C[NH2+]Cc1cnon1 ZINC001374109961 1136624022 /nfs/dbraw/zinc/62/40/22/1136624022.db2.gz QUHYCKAVOWDONT-OLZOCXBDSA-N 1 3 325.413 -0.120 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001374231480 1136653941 /nfs/dbraw/zinc/65/39/41/1136653941.db2.gz FJBCNGBSZFBJTO-RYUDHWBXSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275660 1136663861 /nfs/dbraw/zinc/66/38/61/1136663861.db2.gz JIVJFHOPEYLDLY-NEPJUHHUSA-N 1 3 341.456 -0.391 20 0 EBADHO CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001374354837 1136677784 /nfs/dbraw/zinc/67/77/84/1136677784.db2.gz TVAMVYZJOCVOJB-CHWSQXEVSA-N 1 3 341.456 -0.356 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001374619291 1136753458 /nfs/dbraw/zinc/75/34/58/1136753458.db2.gz QFRBWNVPLQESBA-CYBMUJFWSA-N 1 3 328.457 -0.548 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001374619291 1136753460 /nfs/dbraw/zinc/75/34/60/1136753460.db2.gz QFRBWNVPLQESBA-CYBMUJFWSA-N 1 3 328.457 -0.548 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001374646217 1136771856 /nfs/dbraw/zinc/77/18/56/1136771856.db2.gz NCQGCOHDEOKTRO-GXTWGEPZSA-N 1 3 330.473 -0.446 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001374654243 1136777687 /nfs/dbraw/zinc/77/76/87/1136777687.db2.gz WZISULMWTYRIKL-GJZGRUSLSA-N 1 3 342.484 -0.158 20 0 EBADHO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CN2CCOCC2)on1 ZINC001374683762 1136799731 /nfs/dbraw/zinc/79/97/31/1136799731.db2.gz KAOSKMHFAFSGJG-GXTWGEPZSA-N 1 3 340.424 -0.482 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O)CC1 ZINC001374951753 1136882601 /nfs/dbraw/zinc/88/26/01/1136882601.db2.gz CRVYCGFXFJKZAO-NWDGAFQWSA-N 1 3 341.456 -0.216 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001374982539 1136889139 /nfs/dbraw/zinc/88/91/39/1136889139.db2.gz SHVRRUSXWHPECA-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000332008086 282122514 /nfs/dbraw/zinc/12/25/14/282122514.db2.gz CXNBMLCYMWIOHT-KFWWJZLASA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000332008086 282122515 /nfs/dbraw/zinc/12/25/15/282122515.db2.gz CXNBMLCYMWIOHT-KFWWJZLASA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CCO1 ZINC000642780498 376118822 /nfs/dbraw/zinc/11/88/22/376118822.db2.gz HXSVNJFIZXMBHP-CZUORRHYSA-N 1 3 348.447 -0.061 20 0 EBADHO O[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722751 376212865 /nfs/dbraw/zinc/21/28/65/376212865.db2.gz ULEBFQHFVHHNKJ-IRXDYDNUSA-N 1 3 331.420 -0.134 20 0 EBADHO O[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722751 376212867 /nfs/dbraw/zinc/21/28/67/376212867.db2.gz ULEBFQHFVHHNKJ-IRXDYDNUSA-N 1 3 331.420 -0.134 20 0 EBADHO C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000584218029 376220672 /nfs/dbraw/zinc/22/06/72/376220672.db2.gz UOSTUFOVACXCBO-HUUCEWRRSA-N 1 3 342.484 -0.442 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000642809768 376361224 /nfs/dbraw/zinc/36/12/24/376361224.db2.gz NUDVTICJRUTUIM-MJBXVCDLSA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000642809766 376361624 /nfs/dbraw/zinc/36/16/24/376361624.db2.gz NUDVTICJRUTUIM-IHRRRGAJSA-N 1 3 340.468 -0.202 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892961 376527594 /nfs/dbraw/zinc/52/75/94/376527594.db2.gz JRSYOKZCLDHNBA-CABCVRRESA-N 1 3 337.468 -0.907 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccnc1 ZINC000559620589 376598183 /nfs/dbraw/zinc/59/81/83/376598183.db2.gz RNUBVZJKJWELGN-UHFFFAOYSA-N 1 3 335.452 -0.308 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nccs1 ZINC000560248888 376663843 /nfs/dbraw/zinc/66/38/43/376663843.db2.gz NXKIDPQLPWFMHJ-UHFFFAOYSA-N 1 3 327.454 -0.289 20 0 EBADHO CCc1nn(C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000561472748 376848066 /nfs/dbraw/zinc/84/80/66/376848066.db2.gz AVQWBXNACGJIAG-UHFFFAOYSA-N 1 3 338.456 -0.127 20 0 EBADHO CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000158357070 376940875 /nfs/dbraw/zinc/94/08/75/376940875.db2.gz BZBCLYMSAJKFAD-ZDUSSCGKSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000158357070 376940885 /nfs/dbraw/zinc/94/08/85/376940885.db2.gz BZBCLYMSAJKFAD-ZDUSSCGKSA-N 1 3 325.457 -0.033 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642946653 377018660 /nfs/dbraw/zinc/01/86/60/377018660.db2.gz AVUGIXVVSAUNCH-LSDHHAIUSA-N 1 3 339.484 -0.676 20 0 EBADHO COCC[N@H+](C)CCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000588967468 377061954 /nfs/dbraw/zinc/06/19/54/377061954.db2.gz ROQZPGCGFMPDMY-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO COCC[N@@H+](C)CCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000588967468 377061963 /nfs/dbraw/zinc/06/19/63/377061963.db2.gz ROQZPGCGFMPDMY-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000635607942 377074218 /nfs/dbraw/zinc/07/42/18/377074218.db2.gz TXIURDNMYIQCHU-CYBMUJFWSA-N 1 3 336.440 -0.159 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000635607942 377074233 /nfs/dbraw/zinc/07/42/33/377074233.db2.gz TXIURDNMYIQCHU-CYBMUJFWSA-N 1 3 336.440 -0.159 20 0 EBADHO COCCOCC[N@H+](C)CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000636139739 377241159 /nfs/dbraw/zinc/24/11/59/377241159.db2.gz IHOQKPVZFLFCHQ-LSDHHAIUSA-N 1 3 329.441 -0.751 20 0 EBADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000636139739 377241169 /nfs/dbraw/zinc/24/11/69/377241169.db2.gz IHOQKPVZFLFCHQ-LSDHHAIUSA-N 1 3 329.441 -0.751 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[C@@H](CN)C1 ZINC000570919190 377301225 /nfs/dbraw/zinc/30/12/25/377301225.db2.gz IBSONJAPVYZCDZ-WMLDXEAASA-N 1 3 337.468 -0.968 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)[C@@H](CN)C1 ZINC000570919190 377301233 /nfs/dbraw/zinc/30/12/33/377301233.db2.gz IBSONJAPVYZCDZ-WMLDXEAASA-N 1 3 337.468 -0.968 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642999667 377442268 /nfs/dbraw/zinc/44/22/68/377442268.db2.gz ZBEZUCGBXJLGKV-HUUCEWRRSA-N 1 3 339.484 -0.661 20 0 EBADHO COC(=O)CN(C)C(=O)CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182208 377807573 /nfs/dbraw/zinc/80/75/73/377807573.db2.gz MJHVADVLZIWAPX-UHFFFAOYSA-N 1 3 327.425 -0.196 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000563095370 378416790 /nfs/dbraw/zinc/41/67/90/378416790.db2.gz QEBYSMVOPHIORZ-CHWSQXEVSA-N 1 3 342.440 -0.626 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000563095370 378416795 /nfs/dbraw/zinc/41/67/95/378416795.db2.gz QEBYSMVOPHIORZ-CHWSQXEVSA-N 1 3 342.440 -0.626 20 0 EBADHO CNS(=O)(=O)CCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000338149958 378740823 /nfs/dbraw/zinc/74/08/23/378740823.db2.gz NLCBFBVHVGWMIV-KBPBESRZSA-N 1 3 346.497 -0.494 20 0 EBADHO CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H](CN)C1 ZINC000563611360 379053791 /nfs/dbraw/zinc/05/37/91/379053791.db2.gz UGHBQEAKFHWXRU-INIZCTEOSA-N 1 3 347.463 -0.534 20 0 EBADHO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCCCN2CCO)CC1=O ZINC000452793210 379098819 /nfs/dbraw/zinc/09/88/19/379098819.db2.gz HHPDTRNWFOZVRJ-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCCCC1 ZINC000627291500 379122150 /nfs/dbraw/zinc/12/21/50/379122150.db2.gz WEMITGVGPDQWTQ-UHFFFAOYSA-N 1 3 340.468 -0.009 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000629792498 379137769 /nfs/dbraw/zinc/13/77/69/379137769.db2.gz QPQJUVRJMPRTPF-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000629804297 379148573 /nfs/dbraw/zinc/14/85/73/379148573.db2.gz XGFGHIXXYMROAK-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[NH2+]1 ZINC000627479221 379189533 /nfs/dbraw/zinc/18/95/33/379189533.db2.gz YHONKHHJOSZWIW-KFWWJZLASA-N 1 3 340.468 -0.188 20 0 EBADHO CN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@H](CN)C1 ZINC000571539994 379212970 /nfs/dbraw/zinc/21/29/70/379212970.db2.gz SGVRAUCNLFQCRH-CQSZACIVSA-N 1 3 325.457 -0.920 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000458443765 379222302 /nfs/dbraw/zinc/22/23/02/379222302.db2.gz UIGMMUXPGWPEDL-GJZGRUSLSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000458443765 379222304 /nfs/dbraw/zinc/22/23/04/379222304.db2.gz UIGMMUXPGWPEDL-GJZGRUSLSA-N 1 3 328.457 -0.147 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000607229598 379244506 /nfs/dbraw/zinc/24/45/06/379244506.db2.gz ONEWJFFXYVVYFN-UHFFFAOYSA-N 1 3 341.500 -0.232 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCC(C)CC1 ZINC000627331569 379340178 /nfs/dbraw/zinc/34/01/78/379340178.db2.gz AZBIPGURBNSYRN-CQSZACIVSA-N 1 3 328.457 -0.295 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000627332335 379340521 /nfs/dbraw/zinc/34/05/21/379340521.db2.gz XDOHXUYESMVBPJ-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000627338043 379374823 /nfs/dbraw/zinc/37/48/23/379374823.db2.gz TYIFWDNMQOOZTM-LSDHHAIUSA-N 1 3 339.484 -0.615 20 0 EBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000627338741 379375425 /nfs/dbraw/zinc/37/54/25/379375425.db2.gz OYDWRLVCNPQYTI-CQSZACIVSA-N 1 3 334.420 -0.279 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622027453 379396847 /nfs/dbraw/zinc/39/68/47/379396847.db2.gz CLHRASCEMIIOFL-PBHICJAKSA-N 1 3 339.484 -0.722 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCSC1 ZINC000621842892 379367616 /nfs/dbraw/zinc/36/76/16/379367616.db2.gz BALKNQBNOKPNHN-KCXAZCMYSA-N 1 3 340.493 -0.120 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627394551 379579873 /nfs/dbraw/zinc/57/98/73/379579873.db2.gz KCPCHTLEEPIOGP-ZDUSSCGKSA-N 1 3 340.468 -0.153 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000627425351 379592355 /nfs/dbraw/zinc/59/23/55/379592355.db2.gz MUZOUTSVNPYXEJ-ZIAGYGMSSA-N 1 3 338.452 -0.256 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000627500230 379646442 /nfs/dbraw/zinc/64/64/42/379646442.db2.gz SRIJPFRHBQINSK-GXTWGEPZSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452586 379604380 /nfs/dbraw/zinc/60/43/80/379604380.db2.gz OHQMSUZPIOVHAG-ZIAGYGMSSA-N 1 3 340.468 -0.010 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCC[C@@H](C)C1 ZINC000627455306 379605462 /nfs/dbraw/zinc/60/54/62/379605462.db2.gz RNSXBDMIYWLFSR-ZIAGYGMSSA-N 1 3 340.468 -0.153 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCC[C@@H](C)C1 ZINC000627455304 379606233 /nfs/dbraw/zinc/60/62/33/379606233.db2.gz RNSXBDMIYWLFSR-KGLIPLIRSA-N 1 3 340.468 -0.153 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000627461496 379610534 /nfs/dbraw/zinc/61/05/34/379610534.db2.gz RFRZKSANCBTWSG-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO COC[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCCN1 ZINC000637820333 379866149 /nfs/dbraw/zinc/86/61/49/379866149.db2.gz WQZSLLBQJCPIRS-BBRMVZONSA-N 1 3 326.441 -0.541 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000128587688 380002267 /nfs/dbraw/zinc/00/22/67/380002267.db2.gz ZFACNALUYCHHID-WBVHZDCISA-N 1 3 343.516 -0.128 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638099914 380136277 /nfs/dbraw/zinc/13/62/77/380136277.db2.gz WJCGBYRBEZYUBB-KRWDZBQOSA-N 1 3 340.468 -0.246 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638096606 380128914 /nfs/dbraw/zinc/12/89/14/380128914.db2.gz KNFQXZOEBYXJIP-PBHICJAKSA-N 1 3 340.468 -0.199 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638112057 380159322 /nfs/dbraw/zinc/15/93/22/380159322.db2.gz JILVOFQFOPIKKV-KRWDZBQOSA-N 1 3 340.468 -0.199 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564430387 380372289 /nfs/dbraw/zinc/37/22/89/380372289.db2.gz COQYMAOJTCEMFZ-JKSUJKDBSA-N 1 3 339.484 -0.214 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563635 380411464 /nfs/dbraw/zinc/41/14/64/380411464.db2.gz AXOJSFGEUSUOBJ-HUUCEWRRSA-N 1 3 349.483 -0.042 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCOCC[NH+](C)C)CCSC1 ZINC000340443883 380500959 /nfs/dbraw/zinc/50/09/59/380500959.db2.gz YSTGKFXGHVMOSF-OAHLLOKOSA-N 1 3 346.497 -0.766 20 0 EBADHO COC(=O)C[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567268613 380511731 /nfs/dbraw/zinc/51/17/31/380511731.db2.gz KEWJLPUMZFPYKX-HNNXBMFYSA-N 1 3 348.447 -0.014 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000567724031 380537847 /nfs/dbraw/zinc/53/78/47/380537847.db2.gz ULFHGYZXQBYGQS-AWEZNQCLSA-N 1 3 340.468 -0.105 20 0 EBADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000567806195 380544485 /nfs/dbraw/zinc/54/44/85/380544485.db2.gz VNPCBNWDKJTMEC-KGLIPLIRSA-N 1 3 328.457 -0.345 20 0 EBADHO O=C(COC1CNC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000567847466 380550468 /nfs/dbraw/zinc/55/04/68/380550468.db2.gz OCVOAISOHBBVCJ-UHFFFAOYSA-N 1 3 334.420 -0.103 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340794458 380632862 /nfs/dbraw/zinc/63/28/62/380632862.db2.gz HEUIIISNHDLWBA-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340794458 380632866 /nfs/dbraw/zinc/63/28/66/380632866.db2.gz HEUIIISNHDLWBA-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000569240900 380635672 /nfs/dbraw/zinc/63/56/72/380635672.db2.gz XTYQPQLINBMLBB-LSDHHAIUSA-N 1 3 329.489 -0.199 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371341522 380645650 /nfs/dbraw/zinc/64/56/50/380645650.db2.gz OWSAKIMYASZYHL-MRXNPFEDSA-N 1 3 349.479 -0.857 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371341522 380645658 /nfs/dbraw/zinc/64/56/58/380645658.db2.gz OWSAKIMYASZYHL-MRXNPFEDSA-N 1 3 349.479 -0.857 20 0 EBADHO CN1CCN(C(=O)CC2CCN(CCN3CC[NH2+]CC3)CC2)CC1 ZINC000569009266 380625366 /nfs/dbraw/zinc/62/53/66/380625366.db2.gz ZYJUNODUAKULRA-UHFFFAOYSA-N 1 3 337.512 -0.232 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000573268221 380667000 /nfs/dbraw/zinc/66/70/00/380667000.db2.gz SMACDWAVBXWMCF-RBSFLKMASA-N 1 3 337.468 -0.082 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000573268221 380667005 /nfs/dbraw/zinc/66/70/05/380667005.db2.gz SMACDWAVBXWMCF-RBSFLKMASA-N 1 3 337.468 -0.082 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000371724612 380670203 /nfs/dbraw/zinc/67/02/03/380670203.db2.gz SEZGDNRRBSQAAU-ZNMIVQPWSA-N 1 3 326.441 -0.131 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000371724612 380670204 /nfs/dbraw/zinc/67/02/04/380670204.db2.gz SEZGDNRRBSQAAU-ZNMIVQPWSA-N 1 3 326.441 -0.131 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000371724608 380670288 /nfs/dbraw/zinc/67/02/88/380670288.db2.gz SEZGDNRRBSQAAU-KKUMJFAQSA-N 1 3 326.441 -0.131 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000371724608 380670292 /nfs/dbraw/zinc/67/02/92/380670292.db2.gz SEZGDNRRBSQAAU-KKUMJFAQSA-N 1 3 326.441 -0.131 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000574324318 380708179 /nfs/dbraw/zinc/70/81/79/380708179.db2.gz XGUIWFCSEFJKHX-UONOGXRCSA-N 1 3 327.473 -0.676 20 0 EBADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CNCCC3(F)F)C[C@H]2[NH3+])cn1 ZINC000574512424 380714689 /nfs/dbraw/zinc/71/46/89/380714689.db2.gz QUJDGFVJXVFEFF-QJPTWQEYSA-N 1 3 328.367 -0.147 20 0 EBADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)C(C)C ZINC000582350653 380720550 /nfs/dbraw/zinc/72/05/50/380720550.db2.gz LJDUFDXNNHEXHV-CQSZACIVSA-N 1 3 327.473 -0.677 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N(C)CC2CC[NH+](C)CC2)n1 ZINC000341969741 380749743 /nfs/dbraw/zinc/74/97/43/380749743.db2.gz JBINLBUJAUGVIP-UHFFFAOYSA-N 1 3 337.472 -0.282 20 0 EBADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C(C)C ZINC000576493494 380774564 /nfs/dbraw/zinc/77/45/64/380774564.db2.gz HAJSWXBISGOKBK-HNNXBMFYSA-N 1 3 341.500 -0.287 20 0 EBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000577373661 380820134 /nfs/dbraw/zinc/82/01/34/380820134.db2.gz WRQXOTNHYVWQFA-GJZGRUSLSA-N 1 3 337.468 -0.920 20 0 EBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000577373661 380820137 /nfs/dbraw/zinc/82/01/37/380820137.db2.gz WRQXOTNHYVWQFA-GJZGRUSLSA-N 1 3 337.468 -0.920 20 0 EBADHO COC(=O)CNC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180937993 380927600 /nfs/dbraw/zinc/92/76/00/380927600.db2.gz AEDSJTKTGGYTED-CYBMUJFWSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000417547965 380936130 /nfs/dbraw/zinc/93/61/30/380936130.db2.gz HNIJJEPPYDXQCT-STQMWFEESA-N 1 3 325.457 -0.034 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669383 380944875 /nfs/dbraw/zinc/94/48/75/380944875.db2.gz KJEIKTWTUVKVBD-RBSFLKMASA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000578669383 380944883 /nfs/dbraw/zinc/94/48/83/380944883.db2.gz KJEIKTWTUVKVBD-RBSFLKMASA-N 1 3 335.452 -0.043 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000581355975 381071359 /nfs/dbraw/zinc/07/13/59/381071359.db2.gz NRUNETJNNWTOBS-ZNMIVQPWSA-N 1 3 340.468 -0.833 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000617503973 381033672 /nfs/dbraw/zinc/03/36/72/381033672.db2.gz CQAXKZYBUFUCDZ-STQMWFEESA-N 1 3 326.441 -0.088 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000617503973 381033681 /nfs/dbraw/zinc/03/36/81/381033681.db2.gz CQAXKZYBUFUCDZ-STQMWFEESA-N 1 3 326.441 -0.088 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCS(=O)(=O)N(C)C ZINC000617506201 381037227 /nfs/dbraw/zinc/03/72/27/381037227.db2.gz FLSYMTLMUOXHLK-ZDUSSCGKSA-N 1 3 336.502 -0.344 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCS(=O)(=O)N(C)C ZINC000617506201 381037235 /nfs/dbraw/zinc/03/72/35/381037235.db2.gz FLSYMTLMUOXHLK-ZDUSSCGKSA-N 1 3 336.502 -0.344 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000582971281 381088525 /nfs/dbraw/zinc/08/85/25/381088525.db2.gz WPPOPFUXRJOTTM-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642431205 381092020 /nfs/dbraw/zinc/09/20/20/381092020.db2.gz WEVRVVXQKPNIPE-RRFJBIMHSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCCN([C@H](C)CO)CC2)CC1 ZINC000346663967 381095819 /nfs/dbraw/zinc/09/58/19/381095819.db2.gz XKMZEYOYKROBEP-OAHLLOKOSA-N 1 3 326.485 -0.025 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCCN([C@@H](C)CO)CC2)CC1 ZINC000346663964 381096197 /nfs/dbraw/zinc/09/61/97/381096197.db2.gz XKMZEYOYKROBEP-HNNXBMFYSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@H]1C[C@H](CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931149 381118114 /nfs/dbraw/zinc/11/81/14/381118114.db2.gz DGTXMRROWYRFIS-UONOGXRCSA-N 1 3 336.436 -0.332 20 0 EBADHO COCC[NH2+]CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418542837 381247280 /nfs/dbraw/zinc/24/72/80/381247280.db2.gz HTGSJCFOVHBLQH-UHFFFAOYSA-N 1 3 328.457 -0.024 20 0 EBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418879687 381326393 /nfs/dbraw/zinc/32/63/93/381326393.db2.gz NUUTTYHJGCJIAZ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418876909 381326494 /nfs/dbraw/zinc/32/64/94/381326494.db2.gz HKVXFNVFBMSMLS-ZIAGYGMSSA-N 1 3 328.457 -0.297 20 0 EBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478809 381327372 /nfs/dbraw/zinc/32/73/72/381327372.db2.gz HOLZYQZZNSKIMO-CQSZACIVSA-N 1 3 331.420 -0.059 20 0 EBADHO COCCNCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418911241 381343726 /nfs/dbraw/zinc/34/37/26/381343726.db2.gz CKWSAUXPDJFVSO-WMLDXEAASA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H]1CCC[C@](CNC(=O)C(=O)N(CCN)CCO)([NH+](C)C)C1 ZINC000418913590 381346873 /nfs/dbraw/zinc/34/68/73/381346873.db2.gz GMBXZJOOVIIQTJ-BBRMVZONSA-N 1 3 328.457 -0.607 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419085037 381365198 /nfs/dbraw/zinc/36/51/98/381365198.db2.gz ZINZBIXSHYZCCO-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419096445 381376171 /nfs/dbraw/zinc/37/61/71/381376171.db2.gz CKUUNBXIOLXAAJ-RDBSUJKOSA-N 1 3 326.441 -0.842 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1(C)C ZINC000419186777 381404007 /nfs/dbraw/zinc/40/40/07/381404007.db2.gz QIIMRECDUSHZRW-AWEZNQCLSA-N 1 3 339.484 -0.613 20 0 EBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419187314 381404234 /nfs/dbraw/zinc/40/42/34/381404234.db2.gz QZGSRHPPEIUCCW-CQSZACIVSA-N 1 3 341.500 -0.382 20 0 EBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419122525 381381682 /nfs/dbraw/zinc/38/16/82/381381682.db2.gz NPRBKXVAFSGKKP-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419125717 381386063 /nfs/dbraw/zinc/38/60/63/381386063.db2.gz UQTZVYXXPXZBFZ-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419145989 381397359 /nfs/dbraw/zinc/39/73/59/381397359.db2.gz HCEYUCKGKUHRNS-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000419212936 381399925 /nfs/dbraw/zinc/39/99/25/381399925.db2.gz KUDNTWQJBHKOCS-CQSZACIVSA-N 1 3 334.420 -0.197 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419415587 381430789 /nfs/dbraw/zinc/43/07/89/381430789.db2.gz VHKWAWBUAPVFHA-KBPBESRZSA-N 1 3 326.441 -0.589 20 0 EBADHO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419417716 381432125 /nfs/dbraw/zinc/43/21/25/381432125.db2.gz IBPNAYSALFLSNF-INIZCTEOSA-N 1 3 348.447 -0.281 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419444655 381438626 /nfs/dbraw/zinc/43/86/26/381438626.db2.gz DFGCMBKQWKERFK-ZIAGYGMSSA-N 1 3 328.457 -0.295 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419779699 381492572 /nfs/dbraw/zinc/49/25/72/381492572.db2.gz PPCZYLUPABYBQX-MELADBBJSA-N 1 3 326.441 -0.733 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419891094 381519885 /nfs/dbraw/zinc/51/98/85/381519885.db2.gz MUVXTDFAKGSCLQ-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H](C)C1 ZINC000420179355 381563110 /nfs/dbraw/zinc/56/31/10/381563110.db2.gz BMLWOCVPSPAIJM-ILXRZTDVSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420194694 381566753 /nfs/dbraw/zinc/56/67/53/381566753.db2.gz SSXGKWLWJVKYJH-AWEZNQCLSA-N 1 3 328.457 -0.473 20 0 EBADHO C[C@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409339 381583505 /nfs/dbraw/zinc/58/35/05/381583505.db2.gz QMOVQRWPVSTNEN-QWHCGFSZSA-N 1 3 348.451 -0.260 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000571746914 381618148 /nfs/dbraw/zinc/61/81/48/381618148.db2.gz VWIHIZWNWFWRAN-KRWDZBQOSA-N 1 3 341.500 -0.556 20 0 EBADHO C[C@@H]1CN(CCCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000351542276 381641496 /nfs/dbraw/zinc/64/14/96/381641496.db2.gz QVNFFFFRGOKYON-RBSFLKMASA-N 1 3 340.468 -0.140 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000572111614 381641773 /nfs/dbraw/zinc/64/17/73/381641773.db2.gz MPHCNUWVJMCSAG-CABCVRRESA-N 1 3 339.484 -0.994 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351574128 381644627 /nfs/dbraw/zinc/64/46/27/381644627.db2.gz UXXSJXBOLRYLFS-HNNXBMFYSA-N 1 3 340.468 -0.140 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000572234644 381651473 /nfs/dbraw/zinc/65/14/73/381651473.db2.gz URAIEYBTVKZTFM-KGLIPLIRSA-N 1 3 325.457 -0.970 20 0 EBADHO C[C@H]([NH3+])[C@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859031 381685742 /nfs/dbraw/zinc/68/57/42/381685742.db2.gz ZLDXEBPCWWNJSI-RYUDHWBXSA-N 1 3 334.424 -0.507 20 0 EBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000580443137 381757148 /nfs/dbraw/zinc/75/71/48/381757148.db2.gz KAUQFBMDBGFXLT-VIFPVBQESA-N 1 3 331.384 -0.733 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000627464763 381908597 /nfs/dbraw/zinc/90/85/97/381908597.db2.gz MLQYSRKGEBMJAW-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO CCN1CCN([C@@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000429672344 382006844 /nfs/dbraw/zinc/00/68/44/382006844.db2.gz CZNHLWHJIIPCCN-QGZVFWFLSA-N 1 3 337.512 -0.138 20 0 EBADHO CCN1CCN([C@@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000429672344 382006853 /nfs/dbraw/zinc/00/68/53/382006853.db2.gz CZNHLWHJIIPCCN-QGZVFWFLSA-N 1 3 337.512 -0.138 20 0 EBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643516789 382022431 /nfs/dbraw/zinc/02/24/31/382022431.db2.gz VCADIJJVACKIFX-PMPSAXMXSA-N 1 3 349.479 -0.812 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000563946428 382092103 /nfs/dbraw/zinc/09/21/03/382092103.db2.gz BKDUUCRWMMCKOK-LSDHHAIUSA-N 1 3 339.484 -0.676 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000353463708 382149460 /nfs/dbraw/zinc/14/94/60/382149460.db2.gz WMLJAFZCOZDSAC-KGLIPLIRSA-N 1 3 336.440 -0.113 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000171300328 382197949 /nfs/dbraw/zinc/19/79/49/382197949.db2.gz PWNRPHJDMNONIO-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000171300328 382197955 /nfs/dbraw/zinc/19/79/55/382197955.db2.gz PWNRPHJDMNONIO-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000669228333 545827413 /nfs/dbraw/zinc/82/74/13/545827413.db2.gz MJGNJLFRNWNYIF-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000328991563 155201472 /nfs/dbraw/zinc/20/14/72/155201472.db2.gz DHGFGONVBDEERM-HZPDHXFCSA-N 1 3 349.479 -0.859 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000328991563 155201475 /nfs/dbraw/zinc/20/14/75/155201475.db2.gz DHGFGONVBDEERM-HZPDHXFCSA-N 1 3 349.479 -0.859 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187946066 154149566 /nfs/dbraw/zinc/14/95/66/154149566.db2.gz UCIJUSIMPPJAPC-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000237159876 154171452 /nfs/dbraw/zinc/17/14/52/154171452.db2.gz UDJVFXBBKYNMLG-AWEZNQCLSA-N 1 3 340.468 -0.247 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@@H]2c2nccn2C)CC1 ZINC000261755499 154199859 /nfs/dbraw/zinc/19/98/59/154199859.db2.gz MIUNNMZCEHHBAX-OAHLLOKOSA-N 1 3 334.468 -0.033 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261753977 154199901 /nfs/dbraw/zinc/19/99/01/154199901.db2.gz LIWYTEMDJFBEDY-MRXNPFEDSA-N 1 3 340.468 -0.247 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@H]2c2nccn2C)CC1 ZINC000261755494 154200277 /nfs/dbraw/zinc/20/02/77/154200277.db2.gz MIUNNMZCEHHBAX-HNNXBMFYSA-N 1 3 334.468 -0.033 20 0 EBADHO C[NH2+]CCC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000261969103 154207659 /nfs/dbraw/zinc/20/76/59/154207659.db2.gz CMDFHEHYCCPJRR-UHFFFAOYSA-N 1 3 348.451 -0.245 20 0 EBADHO CN(C)CCNC(=O)CN(CC(=O)NCC[NH+](C)C)c1ccccc1 ZINC000290894358 155010427 /nfs/dbraw/zinc/01/04/27/155010427.db2.gz DFEFZNRBLIGLBI-UHFFFAOYSA-N 1 3 349.479 -0.151 20 0 EBADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000342698806 156052103 /nfs/dbraw/zinc/05/21/03/156052103.db2.gz HXYHMRHPGWBYJF-GXTWGEPZSA-N 1 3 336.440 -0.113 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000343143132 156103533 /nfs/dbraw/zinc/10/35/33/156103533.db2.gz OJTHFXMOMSAWNA-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344637714 156249639 /nfs/dbraw/zinc/24/96/39/156249639.db2.gz JHWRVBSEAFVAGF-OAHLLOKOSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@@H]1N(C)C ZINC000344632168 156249664 /nfs/dbraw/zinc/24/96/64/156249664.db2.gz QURUFSNGDHWNMZ-ZFWWWQNUSA-N 1 3 340.468 -0.785 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000356500498 157071939 /nfs/dbraw/zinc/07/19/39/157071939.db2.gz DOSMFPZRDLNYFC-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000356500498 157071942 /nfs/dbraw/zinc/07/19/42/157071942.db2.gz DOSMFPZRDLNYFC-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000358571706 157263762 /nfs/dbraw/zinc/26/37/62/157263762.db2.gz PJDWHKZUQRCKJK-INIZCTEOSA-N 1 3 341.500 -0.230 20 0 EBADHO C[N@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000358571706 157263770 /nfs/dbraw/zinc/26/37/70/157263770.db2.gz PJDWHKZUQRCKJK-INIZCTEOSA-N 1 3 341.500 -0.230 20 0 EBADHO CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@@H](C[NH3+])C1 ZINC000359210006 157302886 /nfs/dbraw/zinc/30/28/86/157302886.db2.gz IOXIVYWQWJULHP-BFHYXJOUSA-N 1 3 326.441 -0.639 20 0 EBADHO CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@H](C[NH3+])C1 ZINC000359210010 157303086 /nfs/dbraw/zinc/30/30/86/157303086.db2.gz IOXIVYWQWJULHP-MELADBBJSA-N 1 3 326.441 -0.639 20 0 EBADHO CN(C)C1(CN(C)C(=O)C(=O)NCCOCC[NH+](C)C)CCC1 ZINC000360271132 157370546 /nfs/dbraw/zinc/37/05/46/157370546.db2.gz HADXXSZHULUUOA-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCC[C@H](C)C1 ZINC000360277337 157371574 /nfs/dbraw/zinc/37/15/74/157371574.db2.gz AXQSKLWZAOUOFV-LSDHHAIUSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C1 ZINC000360278751 157371870 /nfs/dbraw/zinc/37/18/70/157371870.db2.gz LIWWMWNNAZTTQG-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO O[C@H]1CCN(CCNc2cc(NCCN3CC[C@H](O)C3)ncn2)C1 ZINC000624772624 415420379 /nfs/dbraw/zinc/42/03/79/415420379.db2.gz AYTGZBYIHWKTCA-KBPBESRZSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@H]1CCN(CCNc2cc(NCC[N@@H+]3CC[C@H](O)C3)ncn2)C1 ZINC000624772624 415420391 /nfs/dbraw/zinc/42/03/91/415420391.db2.gz AYTGZBYIHWKTCA-KBPBESRZSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@H]1CCN(CCNc2cc(NCC[N@H+]3CC[C@H](O)C3)ncn2)C1 ZINC000624772624 415420397 /nfs/dbraw/zinc/42/03/97/415420397.db2.gz AYTGZBYIHWKTCA-KBPBESRZSA-N 1 3 336.440 -0.566 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653116867 418990025 /nfs/dbraw/zinc/99/00/25/418990025.db2.gz XCSBBFCKIQWLQD-CQSZACIVSA-N 1 3 327.473 -0.722 20 0 EBADHO C[NH+](C)CC[C@H](N)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000653125061 418991012 /nfs/dbraw/zinc/99/10/12/418991012.db2.gz ROYDTCBDURLAJQ-KRWDZBQOSA-N 1 3 348.495 -0.011 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647555517 419113051 /nfs/dbraw/zinc/11/30/51/419113051.db2.gz FWDFJSJCDKETBR-UHFFFAOYSA-N 1 3 326.441 -0.670 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000531119114 419065336 /nfs/dbraw/zinc/06/53/36/419065336.db2.gz CVSNVAPBJWYPSL-UHFFFAOYSA-N 1 3 345.469 -0.762 20 0 EBADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652692770 419181608 /nfs/dbraw/zinc/18/16/08/419181608.db2.gz CCFUOKKJSLCCFM-ZIAGYGMSSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652621951 419241389 /nfs/dbraw/zinc/24/13/89/419241389.db2.gz ZFOPKFMGNKQTLD-QWHCGFSZSA-N 1 3 336.440 -0.031 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000652621502 419241749 /nfs/dbraw/zinc/24/17/49/419241749.db2.gz METJNFMBURGGHU-OLZOCXBDSA-N 1 3 334.424 -0.264 20 0 EBADHO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000652624594 419241910 /nfs/dbraw/zinc/24/19/10/419241910.db2.gz LACNBEGMTIOFNQ-STQMWFEESA-N 1 3 336.440 -0.174 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652730433 419329095 /nfs/dbraw/zinc/32/90/95/419329095.db2.gz ZLQTWMUQDBXFPA-APIJFGDWSA-N 1 3 340.468 -0.250 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)C[C@H]1C[NH3+] ZINC000652727288 419320238 /nfs/dbraw/zinc/32/02/38/419320238.db2.gz JYKZZEBVAHJRTI-RRFJBIMHSA-N 1 3 340.468 -0.391 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000652732452 419337030 /nfs/dbraw/zinc/33/70/30/419337030.db2.gz LMFRYMCBNIOSAQ-AWEZNQCLSA-N 1 3 326.441 -0.493 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000360287078 419686543 /nfs/dbraw/zinc/68/65/43/419686543.db2.gz SDLQLIGSVUDGOY-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000360287078 419686557 /nfs/dbraw/zinc/68/65/57/419686557.db2.gz SDLQLIGSVUDGOY-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419930910 419825940 /nfs/dbraw/zinc/82/59/40/419825940.db2.gz CJJZPFBUULTSKH-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](CN)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420016063 419830904 /nfs/dbraw/zinc/83/09/04/419830904.db2.gz RRIBFJRNMTUREJ-ILXRZTDVSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422977184 419915237 /nfs/dbraw/zinc/91/52/37/419915237.db2.gz WHLPXWJSFUEJIU-AVGNSLFASA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422977184 419915242 /nfs/dbraw/zinc/91/52/42/419915242.db2.gz WHLPXWJSFUEJIU-AVGNSLFASA-N 1 3 326.441 -0.232 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423271876 419929518 /nfs/dbraw/zinc/92/95/18/419929518.db2.gz YGVBYKJRNDNSJV-KRWDZBQOSA-N 1 3 340.468 -0.375 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423267510 419930251 /nfs/dbraw/zinc/93/02/51/419930251.db2.gz TVWGXMSJOUQCSB-MRXNPFEDSA-N 1 3 326.441 -0.765 20 0 EBADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423216626 419926595 /nfs/dbraw/zinc/92/65/95/419926595.db2.gz RZBRQJFFQDGPTO-SOUVJXGZSA-N 1 3 340.468 -0.249 20 0 EBADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000514933803 419976578 /nfs/dbraw/zinc/97/65/78/419976578.db2.gz ZANBFKUFUIISJS-ZACQAIPSSA-N 1 3 327.469 -0.353 20 0 EBADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000646667628 420683350 /nfs/dbraw/zinc/68/33/50/420683350.db2.gz YKJYSUSOVUYPNT-XNJGSVPQSA-N 1 3 340.468 -0.168 20 0 EBADHO O=C(NC[C@@H]1COCCN1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000529337695 420763560 /nfs/dbraw/zinc/76/35/60/420763560.db2.gz IHZRYTAOSZKYKC-SHARSMKWSA-N 1 3 325.457 -0.510 20 0 EBADHO O=C(NC[C@@H]1COCCN1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000529337695 420763564 /nfs/dbraw/zinc/76/35/64/420763564.db2.gz IHZRYTAOSZKYKC-SHARSMKWSA-N 1 3 325.457 -0.510 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654421722 420827850 /nfs/dbraw/zinc/82/78/50/420827850.db2.gz VUAWHDMNPARVEC-JKSUJKDBSA-N 1 3 340.468 -0.052 20 0 EBADHO C[NH+](C)[C@]1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCSC1 ZINC000654473102 420829694 /nfs/dbraw/zinc/82/96/94/420829694.db2.gz AUAOQUWXNGOZRB-GUTXKFCHSA-N 1 3 328.482 -0.116 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656028759 420868100 /nfs/dbraw/zinc/86/81/00/420868100.db2.gz QLTNEPHZUUQKEH-YJNKXOJESA-N 1 3 338.452 -0.306 20 0 EBADHO CN1CCN(c2ccncc2NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000659246290 420995093 /nfs/dbraw/zinc/99/50/93/420995093.db2.gz IXGPQDXLPJBHFK-UHFFFAOYSA-N 1 3 330.396 -0.364 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCCO1 ZINC000659677697 421013919 /nfs/dbraw/zinc/01/39/19/421013919.db2.gz RVQXWEOVHPOPMG-CBCUQQMYSA-N 1 3 338.452 -0.447 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCSC1 ZINC000659702964 421016592 /nfs/dbraw/zinc/01/65/92/421016592.db2.gz XJCMIRFZVOMPKN-WPBUFGDCSA-N 1 3 326.466 -0.510 20 0 EBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659722333 421020891 /nfs/dbraw/zinc/02/08/91/421020891.db2.gz DMXGTXROTGOSMW-QWHCGFSZSA-N 1 3 326.441 -0.530 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000659719508 421021678 /nfs/dbraw/zinc/02/16/78/421021678.db2.gz YNLXBDVAAQJPRX-AGIUHOORSA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000659719508 421021682 /nfs/dbraw/zinc/02/16/82/421021682.db2.gz YNLXBDVAAQJPRX-AGIUHOORSA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000659719508 421021689 /nfs/dbraw/zinc/02/16/89/421021689.db2.gz YNLXBDVAAQJPRX-AGIUHOORSA-N 1 3 326.441 -0.184 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000659735588 421024423 /nfs/dbraw/zinc/02/44/23/421024423.db2.gz TWSVBTWIZLWITD-CQSZACIVSA-N 1 3 338.452 -0.256 20 0 EBADHO O=C(N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C1(O)CNC1 ZINC000662817322 421102505 /nfs/dbraw/zinc/10/25/05/421102505.db2.gz VMFFOGOEPZELRE-UHFFFAOYSA-N 1 3 333.436 -0.083 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929572 421111356 /nfs/dbraw/zinc/11/13/56/421111356.db2.gz HJYOJOKVJHETFY-UUCFBXCCSA-N 1 3 338.452 -0.495 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CN(C)CCN1C ZINC000664083178 421149168 /nfs/dbraw/zinc/14/91/68/421149168.db2.gz ONIUGNRHVUYKHU-HOTGVXAUSA-N 1 3 342.532 -0.197 20 0 EBADHO CN(C)CCOCCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664732391 421161913 /nfs/dbraw/zinc/16/19/13/421161913.db2.gz WKFXXKDRNUJJSO-HNNXBMFYSA-N 1 3 328.457 -0.195 20 0 EBADHO CN(C)CCOCCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664732391 421161916 /nfs/dbraw/zinc/16/19/16/421161916.db2.gz WKFXXKDRNUJJSO-HNNXBMFYSA-N 1 3 328.457 -0.195 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000369780517 421194416 /nfs/dbraw/zinc/19/44/16/421194416.db2.gz RELRNOAQFPULNX-KGLIPLIRSA-N 1 3 336.440 0.429 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423202301 264988167 /nfs/dbraw/zinc/98/81/67/264988167.db2.gz AMVIRCVPUYMFKV-RHSMWYFYSA-N 1 3 340.468 -0.247 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423376649 265001143 /nfs/dbraw/zinc/00/11/43/265001143.db2.gz JOLKLGFLLIEEQX-CYBMUJFWSA-N 1 3 347.419 -0.312 20 0 EBADHO C[C@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423608013 265018567 /nfs/dbraw/zinc/01/85/67/265018567.db2.gz NFRNGUFFFIGSFY-AWEZNQCLSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423608013 265018569 /nfs/dbraw/zinc/01/85/69/265018569.db2.gz NFRNGUFFFIGSFY-AWEZNQCLSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423608013 265018571 /nfs/dbraw/zinc/01/85/71/265018571.db2.gz NFRNGUFFFIGSFY-AWEZNQCLSA-N 1 3 339.484 -0.709 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423752821 265042961 /nfs/dbraw/zinc/04/29/61/265042961.db2.gz WSFPIIFGOOPIPQ-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO N[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424003933 265045889 /nfs/dbraw/zinc/04/58/89/265045889.db2.gz ALKPTMLRIUXGOJ-RRFJBIMHSA-N 1 3 334.395 -0.053 20 0 EBADHO C[C@H]([NH3+])C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000430960478 265159089 /nfs/dbraw/zinc/15/90/89/265159089.db2.gz JLOHAXQSCUCSCQ-NSHDSACASA-N 1 3 334.424 -0.507 20 0 EBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443057846 265337843 /nfs/dbraw/zinc/33/78/43/265337843.db2.gz IIVKAUKMCSFZOC-OAHLLOKOSA-N 1 3 339.484 -0.720 20 0 EBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443057845 265338048 /nfs/dbraw/zinc/33/80/48/265338048.db2.gz IIVKAUKMCSFZOC-HNNXBMFYSA-N 1 3 339.484 -0.720 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673289 265625106 /nfs/dbraw/zinc/62/51/06/265625106.db2.gz SXHFYXULKWZPJL-GJZGRUSLSA-N 1 3 335.452 -0.043 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000521029883 265652243 /nfs/dbraw/zinc/65/22/43/265652243.db2.gz XJYVUDNQCZFIRU-UONOGXRCSA-N 1 3 336.440 -0.917 20 0 EBADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000521407318 272893560 /nfs/dbraw/zinc/89/35/60/272893560.db2.gz HOTZOTUFWZMBKM-UHFFFAOYSA-N 1 3 345.447 -0.149 20 0 EBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000669491328 545881510 /nfs/dbraw/zinc/88/15/10/545881510.db2.gz VOEDIBGZEXCFLH-HUUCEWRRSA-N 1 3 337.468 -0.033 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1nnc2n1CCC2 ZINC000674761419 546173847 /nfs/dbraw/zinc/17/38/47/546173847.db2.gz AGJKMRFCTYJOSF-UHFFFAOYSA-N 1 3 337.472 -0.098 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cn1 ZINC000676091626 546195570 /nfs/dbraw/zinc/19/55/70/546195570.db2.gz QVFHTDMULRFPIZ-UHFFFAOYSA-N 1 3 336.440 -0.064 20 0 EBADHO COCC[NH+]1CCC(NC(=O)N2CCN(C)CCN(C)CC2)CC1 ZINC000892335844 582577237 /nfs/dbraw/zinc/57/72/37/582577237.db2.gz XIDRDSDPAZEVTD-UHFFFAOYSA-N 1 3 341.500 -0.014 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765843 582587008 /nfs/dbraw/zinc/58/70/08/582587008.db2.gz HFSPETHKVYOVDS-BBRMVZONSA-N 1 3 326.441 -0.489 20 0 EBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516916788 582628643 /nfs/dbraw/zinc/62/86/43/582628643.db2.gz SUJLSVYJLHVQJB-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO CN(C)CCN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1=O ZINC000898269472 582725425 /nfs/dbraw/zinc/72/54/25/582725425.db2.gz HGTMQOVDPXSAJW-UHFFFAOYSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898721289 582739489 /nfs/dbraw/zinc/73/94/89/582739489.db2.gz KVESWTWNPNYQGJ-UHFFFAOYSA-N 1 3 340.468 -0.424 20 0 EBADHO CN1CCO[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000900446102 582770011 /nfs/dbraw/zinc/77/00/11/582770011.db2.gz MXAVSVOZWJJLOH-HNNXBMFYSA-N 1 3 338.452 -0.482 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H]1CCN(c3cnn(C)c3)C1=O)C2 ZINC000903492922 582809589 /nfs/dbraw/zinc/80/95/89/582809589.db2.gz LPKRQPQXWPBJLI-IFOZYUSPSA-N 1 3 347.419 -0.262 20 0 EBADHO CCNS(=O)(=O)CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000741086711 583069040 /nfs/dbraw/zinc/06/90/40/583069040.db2.gz OQWRKXRTVURANZ-UHFFFAOYSA-N 1 3 337.490 -0.940 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111502 583516044 /nfs/dbraw/zinc/51/60/44/583516044.db2.gz ZTNRBADYIAVJAC-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804053392 583638153 /nfs/dbraw/zinc/63/81/53/583638153.db2.gz JQZPASGAADVAPT-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804057242 583640048 /nfs/dbraw/zinc/64/00/48/583640048.db2.gz OKLMLJDQISSELJ-KFWWJZLASA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000807026857 583656948 /nfs/dbraw/zinc/65/69/48/583656948.db2.gz FILZUADNJSIDKW-ZIAGYGMSSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCO1 ZINC000842016312 584056419 /nfs/dbraw/zinc/05/64/19/584056419.db2.gz UBHOJUWVWUJIRG-IHRRRGAJSA-N 1 3 326.441 -0.448 20 0 EBADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000842164277 584058658 /nfs/dbraw/zinc/05/86/58/584058658.db2.gz HRGNQOKPFRUECP-KKUMJFAQSA-N 1 3 338.452 -0.401 20 0 EBADHO [NH3+]CCCCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000843259194 584074205 /nfs/dbraw/zinc/07/42/05/584074205.db2.gz LNVGOMVISUWMAW-ZIAGYGMSSA-N 1 3 326.441 -0.399 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844180305 584090020 /nfs/dbraw/zinc/09/00/20/584090020.db2.gz QVFTWVNYYUSFRS-LSDHHAIUSA-N 1 3 333.436 -0.059 20 0 EBADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000867419083 584125497 /nfs/dbraw/zinc/12/54/97/584125497.db2.gz AYFIDLNFMFKUAM-LRDDRELGSA-N 1 3 344.456 -0.376 20 0 EBADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000867419083 584125498 /nfs/dbraw/zinc/12/54/98/584125498.db2.gz AYFIDLNFMFKUAM-LRDDRELGSA-N 1 3 344.456 -0.376 20 0 EBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000848933173 584163831 /nfs/dbraw/zinc/16/38/31/584163831.db2.gz ZYRUMXAQULLEAF-BYNSBNAKSA-N 1 3 338.452 -0.578 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H](C[NH3+])C1 ZINC000851684873 584198341 /nfs/dbraw/zinc/19/83/41/584198341.db2.gz MJLDXHASGWPSLC-CBBWQLFWSA-N 1 3 338.452 -0.448 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C=C2CC[NH2+]CC2)cn1 ZINC000852871142 584218365 /nfs/dbraw/zinc/21/83/65/584218365.db2.gz VVHGRLGGYQVPFE-UHFFFAOYSA-N 1 3 334.424 -0.191 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861772586 584338308 /nfs/dbraw/zinc/33/83/08/584338308.db2.gz WEVBYAQWVCJPDX-LBPRGKRZSA-N 1 3 328.457 -0.202 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCC1(C)C ZINC000868403921 584428628 /nfs/dbraw/zinc/42/86/28/584428628.db2.gz AZUOGTLBIBVHEL-CYBMUJFWSA-N 1 3 326.441 -0.495 20 0 EBADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998825 584450846 /nfs/dbraw/zinc/45/08/46/584450846.db2.gz HIVNYFBVXLBNPZ-FPCVCCKLSA-N 1 3 344.415 -0.050 20 0 EBADHO CN1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000874431966 584482465 /nfs/dbraw/zinc/48/24/65/584482465.db2.gz DXYQYTYUYGHYEA-MJBXVCDLSA-N 1 3 337.424 -0.343 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000875292582 584496461 /nfs/dbraw/zinc/49/64/61/584496461.db2.gz MDFTVRLCKRPBIO-CVEARBPZSA-N 1 3 340.468 -0.004 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1c1ccncc1 ZINC000883641348 584603905 /nfs/dbraw/zinc/60/39/05/584603905.db2.gz MQFYVOZBKLNWEC-LZWOXQAQSA-N 1 3 343.431 -0.061 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883638434 584603988 /nfs/dbraw/zinc/60/39/88/584603988.db2.gz MJKSHFWQPKROKD-KGLIPLIRSA-N 1 3 331.420 -0.074 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000883651080 584604599 /nfs/dbraw/zinc/60/45/99/584604599.db2.gz HSGGGOHKVQZITR-HNNXBMFYSA-N 1 3 339.484 -0.578 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884587236 584628908 /nfs/dbraw/zinc/62/89/08/584628908.db2.gz DISKJXKRMWZVQA-XJKSGUPXSA-N 1 3 326.441 -0.861 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884597683 584629005 /nfs/dbraw/zinc/62/90/05/584629005.db2.gz GZFXZAIWVYJWBG-HNNXBMFYSA-N 1 3 339.484 -0.530 20 0 EBADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631272 584630396 /nfs/dbraw/zinc/63/03/96/584630396.db2.gz FHAATJZJOFKLMC-CHWSQXEVSA-N 1 3 344.406 -0.052 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884662655 584632274 /nfs/dbraw/zinc/63/22/74/584632274.db2.gz VTWJQPJAMVFQIR-INIZCTEOSA-N 1 3 348.447 -0.489 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884674581 584633099 /nfs/dbraw/zinc/63/30/99/584633099.db2.gz ZTAJHDNMNGPYGZ-ZIAGYGMSSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1c1ccncc1 ZINC000884688283 584634444 /nfs/dbraw/zinc/63/44/44/584634444.db2.gz XXXYRNCAEIMHRG-KGLIPLIRSA-N 1 3 331.420 -0.013 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884884201 584640440 /nfs/dbraw/zinc/64/04/40/584640440.db2.gz YJNXLXGFAOSRRQ-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H](CN)C1 ZINC000884985869 584642098 /nfs/dbraw/zinc/64/20/98/584642098.db2.gz CJDOHBKHHZHRJC-XOYHFGRZSA-N 1 3 339.484 -0.533 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198994 584645444 /nfs/dbraw/zinc/64/54/44/584645444.db2.gz KNBCFQHAABIFHB-ZDUSSCGKSA-N 1 3 328.457 -0.201 20 0 EBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000446371773 650011052 /nfs/dbraw/zinc/01/10/52/650011052.db2.gz XPMIVUJNEMZLHK-UHFFFAOYSA-N 1 3 348.451 -0.272 20 0 EBADHO C[NH+]1CCC(CNC(=O)Cn2cnc(N)n2)(N2CCCCC2)CC1 ZINC000631530868 650025436 /nfs/dbraw/zinc/02/54/36/650025436.db2.gz ZHOVFMUSXIRTRY-UHFFFAOYSA-N 1 3 335.456 -0.073 20 0 EBADHO CN1CCN(CCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1(C)C ZINC000908002715 650093069 /nfs/dbraw/zinc/09/30/69/650093069.db2.gz VVIRQCKOHHPXOK-QGZVFWFLSA-N 1 3 326.485 -0.025 20 0 EBADHO CN1CCN(CCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1(C)C ZINC000908002715 650093071 /nfs/dbraw/zinc/09/30/71/650093071.db2.gz VVIRQCKOHHPXOK-QGZVFWFLSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)N1CCCCC1 ZINC000910946450 650141576 /nfs/dbraw/zinc/14/15/76/650141576.db2.gz MCWIQFYMVRNICU-CJNGLKHVSA-N 1 3 326.441 -0.711 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)N1CCCCC1 ZINC000910946247 650141597 /nfs/dbraw/zinc/14/15/97/650141597.db2.gz IRXSDVRPKIFPNY-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000910972866 650142427 /nfs/dbraw/zinc/14/24/27/650142427.db2.gz RYGHCXLHQQXGFO-VNQPRFMTSA-N 1 3 332.448 0.000 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCNCCNCC1)[NH+]1CCC(C)CC1 ZINC000911090408 650150142 /nfs/dbraw/zinc/15/01/42/650150142.db2.gz IKZCRUKEIKLTQH-OAHLLOKOSA-N 1 3 339.484 -0.756 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC000911097699 650151308 /nfs/dbraw/zinc/15/13/08/650151308.db2.gz VJRDPIRKVGBSNN-HZSPNIEDSA-N 1 3 337.468 -0.862 20 0 EBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC000911149574 650154771 /nfs/dbraw/zinc/15/47/71/650154771.db2.gz XWQCPTIAQPBESH-AICCOOGYSA-N 1 3 336.436 -0.696 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149171 650154953 /nfs/dbraw/zinc/15/49/53/650154953.db2.gz VAZYLOHSNFYLSX-SOUVJXGZSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[C@H]1C[NH3+] ZINC000911148899 650154960 /nfs/dbraw/zinc/15/49/60/650154960.db2.gz SOUAKTLUZCIIAX-LXTVHRRPSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298189 650167768 /nfs/dbraw/zinc/16/77/68/650167768.db2.gz SPBHAUWFWCNCMT-NEULZYRMSA-N 1 3 338.452 -0.374 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911298189 650167770 /nfs/dbraw/zinc/16/77/70/650167770.db2.gz SPBHAUWFWCNCMT-NEULZYRMSA-N 1 3 338.452 -0.374 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000911270504 650164790 /nfs/dbraw/zinc/16/47/90/650164790.db2.gz XXQPYQAZAJRULK-UONOGXRCSA-N 1 3 339.484 -0.900 20 0 EBADHO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324956 650171200 /nfs/dbraw/zinc/17/12/00/650171200.db2.gz NPXWYONDPXZWTG-GRDNDAEWSA-N 1 3 338.452 -0.568 20 0 EBADHO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324957 650171303 /nfs/dbraw/zinc/17/13/03/650171303.db2.gz NPXWYONDPXZWTG-JJRVBVJISA-N 1 3 338.452 -0.568 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517138 650189357 /nfs/dbraw/zinc/18/93/57/650189357.db2.gz IESZWUBTXCCOQL-HZPDHXFCSA-N 1 3 348.447 -0.236 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563527 650194105 /nfs/dbraw/zinc/19/41/05/650194105.db2.gz OMRUCNARRMXDEK-MGPQQGTHSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)CCn1nccc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000911871642 650197987 /nfs/dbraw/zinc/19/79/87/650197987.db2.gz DWTZBUXEWVVSJT-UHFFFAOYSA-N 1 3 336.440 -0.709 20 0 EBADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000919517279 650302518 /nfs/dbraw/zinc/30/25/18/650302518.db2.gz NCJYDOCABGBSJC-HZSPNIEDSA-N 1 3 325.457 -0.034 20 0 EBADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000919517279 650302522 /nfs/dbraw/zinc/30/25/22/650302522.db2.gz NCJYDOCABGBSJC-HZSPNIEDSA-N 1 3 325.457 -0.034 20 0 EBADHO CN(C[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375783 650338745 /nfs/dbraw/zinc/33/87/45/650338745.db2.gz FCURJYISKJWJLE-KBPBESRZSA-N 1 3 331.482 -0.032 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926318945 650385398 /nfs/dbraw/zinc/38/53/98/650385398.db2.gz CKDTUFCQOINQOV-INIZCTEOSA-N 1 3 326.441 -0.759 20 0 EBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000926322265 650386244 /nfs/dbraw/zinc/38/62/44/650386244.db2.gz VGQFILRAVXZYQD-OAHLLOKOSA-N 1 3 337.468 -0.905 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926328825 650386261 /nfs/dbraw/zinc/38/62/61/650386261.db2.gz SRTWYHGLMQIUQY-GJZGRUSLSA-N 1 3 340.468 -0.247 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926335309 650386850 /nfs/dbraw/zinc/38/68/50/650386850.db2.gz XLXNTMSLDNKQKG-ZIAGYGMSSA-N 1 3 328.457 -0.534 20 0 EBADHO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000926334383 650386899 /nfs/dbraw/zinc/38/68/99/650386899.db2.gz TZOLLPVRKCRRIK-YOEHRIQHSA-N 1 3 338.452 -0.615 20 0 EBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCNCCNCC1 ZINC000926347602 650388064 /nfs/dbraw/zinc/38/80/64/650388064.db2.gz GLEYKJDZVPYEHF-UHFFFAOYSA-N 1 3 341.500 -0.412 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000931018011 651620142 /nfs/dbraw/zinc/62/01/42/651620142.db2.gz KLEINPNTJPRFJX-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1CN(CCN2CCNC2=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170844 652700861 /nfs/dbraw/zinc/70/08/61/652700861.db2.gz VNXXGSPLYQFUHQ-LSDHHAIUSA-N 1 3 349.479 -0.066 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000941854980 652930166 /nfs/dbraw/zinc/93/01/66/652930166.db2.gz ASAFMEYBAXJQEP-MRVWCRGKSA-N 1 3 335.408 -0.754 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941854980 652930171 /nfs/dbraw/zinc/93/01/71/652930171.db2.gz ASAFMEYBAXJQEP-MRVWCRGKSA-N 1 3 335.408 -0.754 20 0 EBADHO CN1CCC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403098 719424032 /nfs/dbraw/zinc/42/40/32/719424032.db2.gz HNLSWKFJBZTADG-RQJABVFESA-N 1 3 337.424 -0.343 20 0 EBADHO COCCN1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171532 722318116 /nfs/dbraw/zinc/31/81/16/722318116.db2.gz KDQWAISMHBJAAH-LSDHHAIUSA-N 1 3 325.453 -0.082 20 0 EBADHO O=C(NC[C@@H]1CN(CCn2cccn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215260 722328954 /nfs/dbraw/zinc/32/89/54/722328954.db2.gz VHNUMKKMOCBAJH-HZPDHXFCSA-N 1 3 347.463 -0.080 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC000960086335 722790515 /nfs/dbraw/zinc/79/05/15/722790515.db2.gz JJBWFIWFQAOFJX-BFHYXJOUSA-N 1 3 336.436 -0.144 20 0 EBADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019044703 728780700 /nfs/dbraw/zinc/78/07/00/728780700.db2.gz YDLCYILXPHVKMW-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019166719 728813586 /nfs/dbraw/zinc/81/35/86/728813586.db2.gz PIODVJUYXYOGJW-LPMVOBIJSA-N 1 3 345.447 -0.063 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000964214104 723885119 /nfs/dbraw/zinc/88/51/19/723885119.db2.gz SPWKYCVULQBBIA-BPLDGKMQSA-N 1 3 349.435 -0.364 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000964214104 723885122 /nfs/dbraw/zinc/88/51/22/723885122.db2.gz SPWKYCVULQBBIA-BPLDGKMQSA-N 1 3 349.435 -0.364 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000964262457 723924712 /nfs/dbraw/zinc/92/47/12/723924712.db2.gz MDUYNKRKYCLDMM-CQSZACIVSA-N 1 3 347.419 -0.608 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001019337713 728863371 /nfs/dbraw/zinc/86/33/71/728863371.db2.gz XDSQRGGIBRTAMN-GXTWGEPZSA-N 1 3 339.440 -0.685 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001019382932 728875961 /nfs/dbraw/zinc/87/59/61/728875961.db2.gz PKUWSXDJPUECCS-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001019382932 728875965 /nfs/dbraw/zinc/87/59/65/728875965.db2.gz PKUWSXDJPUECCS-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001019438258 728883224 /nfs/dbraw/zinc/88/32/24/728883224.db2.gz JDGSNTZKUUKOLI-STQMWFEESA-N 1 3 340.449 -0.033 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001019560615 728921997 /nfs/dbraw/zinc/92/19/97/728921997.db2.gz PGMGLAJLIDGWPE-HNNXBMFYSA-N 1 3 337.468 -0.066 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000968719442 725109441 /nfs/dbraw/zinc/10/94/41/725109441.db2.gz UBRRFGTYJMJVCO-CHWSQXEVSA-N 1 3 334.424 -0.863 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000969595211 725195772 /nfs/dbraw/zinc/19/57/72/725195772.db2.gz PBZHATLDDVEAQW-BFHYXJOUSA-N 1 3 329.466 -0.294 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC000969985946 725235261 /nfs/dbraw/zinc/23/52/61/725235261.db2.gz PBOYCCSNUMTIBW-MJBXVCDLSA-N 1 3 331.482 -0.048 20 0 EBADHO CC[C@H](N[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000970231389 725265442 /nfs/dbraw/zinc/26/54/42/725265442.db2.gz PIFMJSHJEOWRAR-KGLIPLIRSA-N 1 3 336.440 -0.487 20 0 EBADHO CC[C@@H](N[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970355830 725282097 /nfs/dbraw/zinc/28/20/97/725282097.db2.gz PWANOPRFCUXUQM-TZMCWYRMSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)CCO1 ZINC000970716311 725320054 /nfs/dbraw/zinc/32/00/54/725320054.db2.gz BPSYJSLTAAUFSH-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971681055 725430029 /nfs/dbraw/zinc/43/00/29/725430029.db2.gz BDXDIGVLVBODGK-LSDHHAIUSA-N 1 3 337.468 -0.116 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)C1 ZINC000972336780 725500723 /nfs/dbraw/zinc/50/07/23/725500723.db2.gz ZTSKYRFOPOGDIZ-HUUCEWRRSA-N 1 3 337.468 -0.114 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)C1 ZINC000972336780 725500724 /nfs/dbraw/zinc/50/07/24/725500724.db2.gz ZTSKYRFOPOGDIZ-HUUCEWRRSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733044 725588694 /nfs/dbraw/zinc/58/86/94/725588694.db2.gz OKOABTIPOQJAQI-GJZGRUSLSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733044 725588696 /nfs/dbraw/zinc/58/86/96/725588696.db2.gz OKOABTIPOQJAQI-GJZGRUSLSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C1CCC1 ZINC000996665499 726421607 /nfs/dbraw/zinc/42/16/07/726421607.db2.gz MHYIXWFCPVNOQC-AWEZNQCLSA-N 1 3 336.436 -0.144 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996821810 726428878 /nfs/dbraw/zinc/42/88/78/726428878.db2.gz JHTFMFSCDOGZQV-NYYRHTKUSA-N 1 3 336.436 -0.696 20 0 EBADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC000999366735 726516697 /nfs/dbraw/zinc/51/66/97/726516697.db2.gz ZLFMBCDGZLFCRM-TZMCWYRMSA-N 1 3 336.436 -0.144 20 0 EBADHO COCCN1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000037008 726552327 /nfs/dbraw/zinc/55/23/27/726552327.db2.gz XEIFLXKQKTYBDT-HNNXBMFYSA-N 1 3 348.451 -0.117 20 0 EBADHO O=C(NC1CCN(CCN2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001003986357 726696818 /nfs/dbraw/zinc/69/68/18/726696818.db2.gz WBCFNDUWMRJYSA-UHFFFAOYSA-N 1 3 335.452 -0.312 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001009270127 726883896 /nfs/dbraw/zinc/88/38/96/726883896.db2.gz VOOYMUZOJNNBKG-JONQDZQNSA-N 1 3 346.475 -0.003 20 0 EBADHO CN1CC[C@@H](NC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)C1=O ZINC001051902983 735455161 /nfs/dbraw/zinc/45/51/61/735455161.db2.gz NTTCDKLDXQQSAY-UONOGXRCSA-N 1 3 336.436 -0.870 20 0 EBADHO O=C(N1CCO[C@H](CN[C@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001051904794 735456508 /nfs/dbraw/zinc/45/65/08/735456508.db2.gz UOVMFGQAXOLHLW-KGLIPLIRSA-N 1 3 336.436 -0.822 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018635753 728682959 /nfs/dbraw/zinc/68/29/59/728682959.db2.gz RXGGZAQXEBXFRD-UONOGXRCSA-N 1 3 344.481 -0.693 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001019652423 728962838 /nfs/dbraw/zinc/96/28/38/728962838.db2.gz MGAGOTHOJYKVNV-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001019652423 728962841 /nfs/dbraw/zinc/96/28/41/728962841.db2.gz MGAGOTHOJYKVNV-GJZGRUSLSA-N 1 3 338.452 -0.623 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001019775983 728989400 /nfs/dbraw/zinc/98/94/00/728989400.db2.gz PWAYSCGKRFTIEN-AWEZNQCLSA-N 1 3 344.481 -0.692 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406969 729160549 /nfs/dbraw/zinc/16/05/49/729160549.db2.gz HWVQCEKBBYJYIP-DSZOFWSKSA-N 1 3 345.447 -0.017 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022118925 729457202 /nfs/dbraw/zinc/45/72/02/729457202.db2.gz ANKXNJKCSYTYBO-SFDCQRBFSA-N 1 3 334.424 -0.585 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022118925 729457203 /nfs/dbraw/zinc/45/72/03/729457203.db2.gz ANKXNJKCSYTYBO-SFDCQRBFSA-N 1 3 334.424 -0.585 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120835 729457705 /nfs/dbraw/zinc/45/77/05/729457705.db2.gz RPAFOOXSRSHXCD-FQLMCAECSA-N 1 3 348.451 -0.102 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022120835 729457706 /nfs/dbraw/zinc/45/77/06/729457706.db2.gz RPAFOOXSRSHXCD-FQLMCAECSA-N 1 3 348.451 -0.102 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120837 729457790 /nfs/dbraw/zinc/45/77/90/729457790.db2.gz RPAFOOXSRSHXCD-HLPPOEQASA-N 1 3 348.451 -0.102 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022120837 729457792 /nfs/dbraw/zinc/45/77/92/729457792.db2.gz RPAFOOXSRSHXCD-HLPPOEQASA-N 1 3 348.451 -0.102 20 0 EBADHO O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452615 729495685 /nfs/dbraw/zinc/49/56/85/729495685.db2.gz OZQRNBJXCHWRGH-DMEBWAFSSA-N 1 3 348.447 -0.635 20 0 EBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001022717470 729524239 /nfs/dbraw/zinc/52/42/39/729524239.db2.gz XYGBTQOUXPUXBI-FRRDWIJNSA-N 1 3 336.436 -0.240 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022842509 729538473 /nfs/dbraw/zinc/53/84/73/729538473.db2.gz QWGRTQILYWZUGC-GZBFAFLISA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC001022842509 729538474 /nfs/dbraw/zinc/53/84/74/729538474.db2.gz QWGRTQILYWZUGC-GZBFAFLISA-N 1 3 331.420 -0.037 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001023025295 729580131 /nfs/dbraw/zinc/58/01/31/729580131.db2.gz FDQGTLCLGHHRHP-TXEJJXNPSA-N 1 3 333.392 -0.354 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043224 730117586 /nfs/dbraw/zinc/11/75/86/730117586.db2.gz FPJQYTLBRXKMKI-IMSKVBIZSA-N 1 3 347.463 -0.368 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043224 730117588 /nfs/dbraw/zinc/11/75/88/730117588.db2.gz FPJQYTLBRXKMKI-IMSKVBIZSA-N 1 3 347.463 -0.368 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140371 730124476 /nfs/dbraw/zinc/12/44/76/730124476.db2.gz KLQDUMVNIZODRU-CQUYNDQOSA-N 1 3 334.420 -0.820 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140371 730124477 /nfs/dbraw/zinc/12/44/77/730124477.db2.gz KLQDUMVNIZODRU-CQUYNDQOSA-N 1 3 334.420 -0.820 20 0 EBADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001026889101 730167317 /nfs/dbraw/zinc/16/73/17/730167317.db2.gz SJJGJGBFSMDEPK-GXTWGEPZSA-N 1 3 336.436 -0.286 20 0 EBADHO O=C(NCC1CN(C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001032131781 730816770 /nfs/dbraw/zinc/81/67/70/730816770.db2.gz UYXNWZPZBQHMLC-OAHLLOKOSA-N 1 3 333.436 -0.612 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760762 731524404 /nfs/dbraw/zinc/52/44/04/731524404.db2.gz SNEYINIZSYREIB-RHSMWYFYSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039760762 731524407 /nfs/dbraw/zinc/52/44/07/731524407.db2.gz SNEYINIZSYREIB-RHSMWYFYSA-N 1 3 340.468 -0.641 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040105333 731601627 /nfs/dbraw/zinc/60/16/27/731601627.db2.gz YBNALLDVSJKPBZ-YOEHRIQHSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040105333 731601631 /nfs/dbraw/zinc/60/16/31/731601631.db2.gz YBNALLDVSJKPBZ-YOEHRIQHSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040202971 731642142 /nfs/dbraw/zinc/64/21/42/731642142.db2.gz VNNKLMUMVAWGNW-PBHICJAKSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800470 731880754 /nfs/dbraw/zinc/88/07/54/731880754.db2.gz GFPXQODTBGKZHH-MRXNPFEDSA-N 1 3 328.457 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595966 738635335 /nfs/dbraw/zinc/63/53/35/738635335.db2.gz RUUAQHCMDNGUJS-GJZGRUSLSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061595966 738635338 /nfs/dbraw/zinc/63/53/38/738635338.db2.gz RUUAQHCMDNGUJS-GJZGRUSLSA-N 1 3 340.468 -0.378 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043157830 732793816 /nfs/dbraw/zinc/79/38/16/732793816.db2.gz MBAQURDPIHSVTH-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001043157639 732793939 /nfs/dbraw/zinc/79/39/39/732793939.db2.gz HZHGUJLTCDMKEB-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043159868 732795747 /nfs/dbraw/zinc/79/57/47/732795747.db2.gz KNTKBHKHQNCJSB-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043159868 732795749 /nfs/dbraw/zinc/79/57/49/732795749.db2.gz KNTKBHKHQNCJSB-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043159988 732796418 /nfs/dbraw/zinc/79/64/18/732796418.db2.gz PKQZSHPCBFZKLP-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043159988 732796420 /nfs/dbraw/zinc/79/64/20/732796420.db2.gz PKQZSHPCBFZKLP-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001043419151 732925776 /nfs/dbraw/zinc/92/57/76/732925776.db2.gz JQHAXEGDXGTFRR-UHFFFAOYSA-N 1 3 349.435 -0.482 20 0 EBADHO CN(C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043454969 732949301 /nfs/dbraw/zinc/94/93/01/732949301.db2.gz KRYUVPAVLGXGKV-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001043454969 732949304 /nfs/dbraw/zinc/94/93/04/732949304.db2.gz KRYUVPAVLGXGKV-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001043529831 732993883 /nfs/dbraw/zinc/99/38/83/732993883.db2.gz AQCQJNDUPGKSDM-UHFFFAOYSA-N 1 3 326.441 -0.888 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044023322 733249948 /nfs/dbraw/zinc/24/99/48/733249948.db2.gz JFEHBTIALPVZSQ-UHFFFAOYSA-N 1 3 338.452 -0.887 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001044043847 733259910 /nfs/dbraw/zinc/25/99/10/733259910.db2.gz FHOROFWHGNVRJI-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044299301 733367180 /nfs/dbraw/zinc/36/71/80/733367180.db2.gz ZUJVEOVHWZXUEM-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044299301 733367186 /nfs/dbraw/zinc/36/71/86/733367186.db2.gz ZUJVEOVHWZXUEM-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044747998 733497622 /nfs/dbraw/zinc/49/76/22/733497622.db2.gz BASNMKKYBRAFBW-KGLIPLIRSA-N 1 3 349.435 -0.220 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044757612 733500484 /nfs/dbraw/zinc/50/04/84/733500484.db2.gz UZBPQKJSFFEVBP-NEPJUHHUSA-N 1 3 348.407 -0.527 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)n1 ZINC001045042402 733563940 /nfs/dbraw/zinc/56/39/40/733563940.db2.gz VVPRDAGVVTWMLL-UONOGXRCSA-N 1 3 348.451 -0.473 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)cn1 ZINC001045236618 733631375 /nfs/dbraw/zinc/63/13/75/733631375.db2.gz OZTGXMMKTUVCMB-LSDHHAIUSA-N 1 3 348.451 -0.473 20 0 EBADHO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001045713973 733757572 /nfs/dbraw/zinc/75/75/72/733757572.db2.gz UBTGCBNSOHYYRY-CQSZACIVSA-N 1 3 328.457 -0.786 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046684719 734003135 /nfs/dbraw/zinc/00/31/35/734003135.db2.gz LPBHKLCWRSMKKN-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046684719 734003140 /nfs/dbraw/zinc/00/31/40/734003140.db2.gz LPBHKLCWRSMKKN-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046692549 734007083 /nfs/dbraw/zinc/00/70/83/734007083.db2.gz WLUZZKQSXCBPSD-UONOGXRCSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046692549 734007085 /nfs/dbraw/zinc/00/70/85/734007085.db2.gz WLUZZKQSXCBPSD-UONOGXRCSA-N 1 3 340.468 -0.786 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)Cc1c[nH]cn1 ZINC001061829648 738773641 /nfs/dbraw/zinc/77/36/41/738773641.db2.gz VYWPRUQDAVTKDE-AWEZNQCLSA-N 1 3 337.424 -0.362 20 0 EBADHO CC(C)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862292 738791311 /nfs/dbraw/zinc/79/13/11/738791311.db2.gz RZYISQNTAAKUFI-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048723604 734483810 /nfs/dbraw/zinc/48/38/10/734483810.db2.gz JTUZEOKNKSCEAR-ZNMIVQPWSA-N 1 3 335.452 -0.504 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048723604 734483812 /nfs/dbraw/zinc/48/38/12/734483812.db2.gz JTUZEOKNKSCEAR-ZNMIVQPWSA-N 1 3 335.452 -0.504 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058805 734629915 /nfs/dbraw/zinc/62/99/15/734629915.db2.gz IMMYIQIOGICOQR-APIJFGDWSA-N 1 3 348.447 -0.476 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058805 734629918 /nfs/dbraw/zinc/62/99/18/734629918.db2.gz IMMYIQIOGICOQR-APIJFGDWSA-N 1 3 348.447 -0.476 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049082055 734639787 /nfs/dbraw/zinc/63/97/87/734639787.db2.gz BOESNNIEYNUQTL-LZWOXQAQSA-N 1 3 344.419 -0.400 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049082055 734639791 /nfs/dbraw/zinc/63/97/91/734639791.db2.gz BOESNNIEYNUQTL-LZWOXQAQSA-N 1 3 344.419 -0.400 20 0 EBADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049173503 734675531 /nfs/dbraw/zinc/67/55/31/734675531.db2.gz BNFQHAJBQQGCEQ-KFWWJZLASA-N 1 3 334.464 -0.051 20 0 EBADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049215238 734687302 /nfs/dbraw/zinc/68/73/02/734687302.db2.gz PMQPIDUDHCRWAU-TUVASFSCSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049215238 734687307 /nfs/dbraw/zinc/68/73/07/734687307.db2.gz PMQPIDUDHCRWAU-TUVASFSCSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049215236 734687556 /nfs/dbraw/zinc/68/75/56/734687556.db2.gz PMQPIDUDHCRWAU-BARDWOONSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049215236 734687558 /nfs/dbraw/zinc/68/75/58/734687558.db2.gz PMQPIDUDHCRWAU-BARDWOONSA-N 1 3 334.464 -0.005 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001049349529 734713578 /nfs/dbraw/zinc/71/35/78/734713578.db2.gz SZRGBRRNAAYIIG-GJZGRUSLSA-N 1 3 342.484 -0.302 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001049639828 734771435 /nfs/dbraw/zinc/77/14/35/734771435.db2.gz RDYWIKBZYPQJBC-KBPBESRZSA-N 1 3 337.424 -0.676 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001049639828 734771437 /nfs/dbraw/zinc/77/14/37/734771437.db2.gz RDYWIKBZYPQJBC-KBPBESRZSA-N 1 3 337.424 -0.676 20 0 EBADHO O=C(N1CCC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001050184444 734863871 /nfs/dbraw/zinc/86/38/71/734863871.db2.gz GEGPVTZKIAXWTH-SOUVJXGZSA-N 1 3 332.448 -0.107 20 0 EBADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001050389445 734897126 /nfs/dbraw/zinc/89/71/26/734897126.db2.gz FLVMRRPLGNYJFV-MGPQQGTHSA-N 1 3 335.456 -0.074 20 0 EBADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001050389445 734897130 /nfs/dbraw/zinc/89/71/30/734897130.db2.gz FLVMRRPLGNYJFV-MGPQQGTHSA-N 1 3 335.456 -0.074 20 0 EBADHO O=C(N1CC2(C1)CCN([C@@H]1CCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001050732401 734951073 /nfs/dbraw/zinc/95/10/73/734951073.db2.gz UJVFWVITSYCSSI-CQSZACIVSA-N 1 3 332.448 -0.105 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050757698 734955196 /nfs/dbraw/zinc/95/51/96/734955196.db2.gz XEEXYIXCUYBWOQ-AWEZNQCLSA-N 1 3 338.452 -0.636 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCNC(=O)c3nnc[nH]3)CC2)C1 ZINC001055614152 736405687 /nfs/dbraw/zinc/40/56/87/736405687.db2.gz ATMMAIOUYOSGAS-LBPRGKRZSA-N 1 3 349.439 -0.933 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCNC(=O)c3nnc[nH]3)CC2)C1 ZINC001055614152 736405688 /nfs/dbraw/zinc/40/56/88/736405688.db2.gz ATMMAIOUYOSGAS-LBPRGKRZSA-N 1 3 349.439 -0.933 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCNC(=O)c3ncn[nH]3)CC2)C1 ZINC001055614152 736405689 /nfs/dbraw/zinc/40/56/89/736405689.db2.gz ATMMAIOUYOSGAS-LBPRGKRZSA-N 1 3 349.439 -0.933 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCNC(=O)c3ncn[nH]3)CC2)C1 ZINC001055614152 736405690 /nfs/dbraw/zinc/40/56/90/736405690.db2.gz ATMMAIOUYOSGAS-LBPRGKRZSA-N 1 3 349.439 -0.933 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001055954117 736568843 /nfs/dbraw/zinc/56/88/43/736568843.db2.gz ORBSDTQYQVOUAG-SUMWQHHRSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001055954117 736568846 /nfs/dbraw/zinc/56/88/46/736568846.db2.gz ORBSDTQYQVOUAG-SUMWQHHRSA-N 1 3 349.435 -0.626 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001057631660 737369760 /nfs/dbraw/zinc/36/97/60/737369760.db2.gz BZMYEBLFMTZCEV-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001057631660 737369765 /nfs/dbraw/zinc/36/97/65/737369765.db2.gz BZMYEBLFMTZCEV-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632464 737371668 /nfs/dbraw/zinc/37/16/68/737371668.db2.gz PJPQMSRFEJZDDJ-ZDUSSCGKSA-N 1 3 337.424 -0.851 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632464 737371670 /nfs/dbraw/zinc/37/16/70/737371670.db2.gz PJPQMSRFEJZDDJ-ZDUSSCGKSA-N 1 3 337.424 -0.851 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001057975054 737572114 /nfs/dbraw/zinc/57/21/14/737572114.db2.gz DFUJTEFFBDPVGC-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001057975054 737572118 /nfs/dbraw/zinc/57/21/18/737572118.db2.gz DFUJTEFFBDPVGC-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C 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CC(C)N(C)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068902705 740486688 /nfs/dbraw/zinc/48/66/88/740486688.db2.gz STPCFCHQZLKZDE-CQSZACIVSA-N 1 3 340.468 -0.236 20 0 EBADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070209287 740749690 /nfs/dbraw/zinc/74/96/90/740749690.db2.gz XBXAQNNYONEFTC-MCIONIFRSA-N 1 3 336.440 -0.515 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001072553691 741428830 /nfs/dbraw/zinc/42/88/30/741428830.db2.gz HJCPAOZMGPHNGQ-CQSZACIVSA-N 1 3 335.452 -0.360 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001072553691 741428832 /nfs/dbraw/zinc/42/88/32/741428832.db2.gz HJCPAOZMGPHNGQ-CQSZACIVSA-N 1 3 335.452 -0.360 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001073128033 741566102 /nfs/dbraw/zinc/56/61/02/741566102.db2.gz OUPMMGUPVIEILP-HNNXBMFYSA-N 1 3 349.479 -0.112 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001073128033 741566107 /nfs/dbraw/zinc/56/61/07/741566107.db2.gz OUPMMGUPVIEILP-HNNXBMFYSA-N 1 3 349.479 -0.112 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001074646801 742044484 /nfs/dbraw/zinc/04/44/84/742044484.db2.gz DHJXKNCVOVXADJ-AWEZNQCLSA-N 1 3 342.484 -0.252 20 0 EBADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001075887225 742320472 /nfs/dbraw/zinc/32/04/72/742320472.db2.gz BTJRONZIVZIXRK-AEGPPILISA-N 1 3 348.447 -0.191 20 0 EBADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001075887225 742320473 /nfs/dbraw/zinc/32/04/73/742320473.db2.gz BTJRONZIVZIXRK-AEGPPILISA-N 1 3 348.447 -0.191 20 0 EBADHO O=C(N1CC[C@H]2CN([C@H]3CCCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467437 742477594 /nfs/dbraw/zinc/47/75/94/742477594.db2.gz LGLRDIQUMDXPIN-SOUVJXGZSA-N 1 3 332.448 -0.107 20 0 EBADHO CN(CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001078412359 743637296 /nfs/dbraw/zinc/63/72/96/743637296.db2.gz YRSYVWYEPTUYCP-CABCVRRESA-N 1 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C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491554 808488677 /nfs/dbraw/zinc/48/86/77/808488677.db2.gz HTQKBAARFUJXIS-ZYHUDNBSSA-N 1 3 334.380 -0.917 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491206 808488907 /nfs/dbraw/zinc/48/89/07/808488907.db2.gz DRBQRRDZZTUXCR-AAEUAGOBSA-N 1 3 333.392 -0.320 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423171 810327502 /nfs/dbraw/zinc/32/75/02/810327502.db2.gz AORYLIXODODMNB-FRRDWIJNSA-N 1 3 341.456 -0.391 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001216001458 810354686 /nfs/dbraw/zinc/35/46/86/810354686.db2.gz CMOXCFJBGNGUIX-OWCLPIDISA-N 1 3 345.484 -0.211 20 0 EBADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216098954 810358477 /nfs/dbraw/zinc/35/84/77/810358477.db2.gz BYWOMIHICLVHCY-VNHYZAJKSA-N 1 3 340.468 -0.332 20 0 EBADHO CCn1nncc1CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400864 810370767 /nfs/dbraw/zinc/37/07/67/810370767.db2.gz BQZOWPATRHMPHF-UKRRQHHQSA-N 1 3 338.456 -0.187 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216510840 810375563 /nfs/dbraw/zinc/37/55/63/810375563.db2.gz AFFOISLIUGBVMV-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216510997 810375676 /nfs/dbraw/zinc/37/56/76/810375676.db2.gz IFJOFDFXJNESTB-CHWSQXEVSA-N 1 3 339.440 -0.684 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+]CCOC1 ZINC001218042699 810472538 /nfs/dbraw/zinc/47/25/38/810472538.db2.gz UFMHWIWZNDNPSG-SECBINFHSA-N 1 3 340.380 -0.872 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC12C[NH2+]C2 ZINC001218239545 810484767 /nfs/dbraw/zinc/48/47/67/810484767.db2.gz HNLFBNPWEIUAGM-SECBINFHSA-N 1 3 336.392 -0.109 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703837 810522381 /nfs/dbraw/zinc/52/23/81/810522381.db2.gz IVCYDTXHQFOLBW-ZDUSSCGKSA-N 1 3 343.391 -0.194 20 0 EBADHO Nc1ncn(C(=O)C2(N)CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779454 810530672 /nfs/dbraw/zinc/53/06/72/810530672.db2.gz NJABMYOBJMOBRJ-RKDXNWHRSA-N 1 3 340.815 -0.879 20 0 EBADHO COc1cc2c(cc1NC(=O)[C@H]1CNCCN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500446 810722288 /nfs/dbraw/zinc/72/22/88/810722288.db2.gz BCQKAMQQPQVBGY-DYVFJYSZSA-N 1 3 345.403 -0.622 20 0 EBADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219609867 810769930 /nfs/dbraw/zinc/76/99/30/810769930.db2.gz GQRNDDLYGMDPQL-GZMMTYOYSA-N 1 3 341.355 -0.826 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697273 810800090 /nfs/dbraw/zinc/80/00/90/810800090.db2.gz QKBPWIQNQHSGKX-KBPBESRZSA-N 1 3 342.484 -0.269 20 0 EBADHO N[C@H]1CCCCN(CC(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1=O ZINC001219743883 810819742 /nfs/dbraw/zinc/81/97/42/810819742.db2.gz ONEKNTCCMYZNEB-KBPBESRZSA-N 1 3 338.452 -0.256 20 0 EBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1CCNC2 ZINC001219843699 810875397 /nfs/dbraw/zinc/87/53/97/810875397.db2.gz BIUHUYBSHZWLBO-BZNIZROVSA-N 1 3 335.408 -0.820 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC[NH3+] ZINC001219872520 810889364 /nfs/dbraw/zinc/88/93/64/810889364.db2.gz JZXAKQJKQCDODP-GJZGRUSLSA-N 1 3 336.436 -0.132 20 0 EBADHO COc1ccc2c(C[C@H](N)C(=O)NC3(C[NH3+])COC3)cc(=O)oc2c1 ZINC001220156716 811002886 /nfs/dbraw/zinc/00/28/86/811002886.db2.gz HMHXSCSYZOBNMM-ZDUSSCGKSA-N 1 3 347.371 -0.485 20 0 EBADHO O=C(N[C@H]1COCCC12OCCO2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220172792 811005839 /nfs/dbraw/zinc/00/58/39/811005839.db2.gz BQFOAVSADVUKNX-OLZOCXBDSA-N 1 3 325.409 -0.491 20 0 EBADHO O=C(N[C@H]1COCCC12OCCO2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220172792 811005847 /nfs/dbraw/zinc/00/58/47/811005847.db2.gz BQFOAVSADVUKNX-OLZOCXBDSA-N 1 3 325.409 -0.491 20 0 EBADHO COc1cc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)ccc1OC1COC1 ZINC001220191375 811011133 /nfs/dbraw/zinc/01/11/33/811011133.db2.gz FWIVFXAHUUIMDN-CQSZACIVSA-N 1 3 347.415 -0.102 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(CC[NH3+])c2cccnc2)COC1(C)C ZINC001220263309 811039353 /nfs/dbraw/zinc/03/93/53/811039353.db2.gz FXYHVPOGVPGYRL-AAEUAGOBSA-N 1 3 335.408 -0.316 20 0 EBADHO CCCn1c(NC(=O)[C@H](N)CCC[NH3+])cc(=O)n(CCC)c1=O ZINC001220424588 811102820 /nfs/dbraw/zinc/10/28/20/811102820.db2.gz LWQVKNMKZUXCSY-LLVKDONJSA-N 1 3 325.413 -0.165 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001036209615 811120227 /nfs/dbraw/zinc/12/02/27/811120227.db2.gz YMYRIUDVRBPTFO-HIFRSBDPSA-N 1 3 349.435 -0.362 20 0 EBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220479336 811122251 /nfs/dbraw/zinc/12/22/51/811122251.db2.gz HVFXFLYRNYGMGE-NEPJUHHUSA-N 1 3 327.425 -0.321 20 0 EBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220479336 811122257 /nfs/dbraw/zinc/12/22/57/811122257.db2.gz HVFXFLYRNYGMGE-NEPJUHHUSA-N 1 3 327.425 -0.321 20 0 EBADHO COCCOCCOCCOCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220514977 811132569 /nfs/dbraw/zinc/13/25/69/811132569.db2.gz YFOSVNWFTSTHNN-AWEZNQCLSA-N 1 3 335.445 -0.745 20 0 EBADHO CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220766063 811233283 /nfs/dbraw/zinc/23/32/83/811233283.db2.gz KZYGKTPPBRSVMR-XUXIUFHCSA-N 1 3 340.468 -0.291 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001036829525 811276590 /nfs/dbraw/zinc/27/65/90/811276590.db2.gz GSFRNKKFJFZSHC-UKRRQHHQSA-N 1 3 346.435 -0.100 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036829525 811276604 /nfs/dbraw/zinc/27/66/04/811276604.db2.gz GSFRNKKFJFZSHC-UKRRQHHQSA-N 1 3 346.435 -0.100 20 0 EBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001221190736 811412528 /nfs/dbraw/zinc/41/25/28/811412528.db2.gz ZVVJTUKMERYSIU-MNOVXSKESA-N 1 3 331.413 -0.168 20 0 EBADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391184 811448929 /nfs/dbraw/zinc/44/89/29/811448929.db2.gz CNQVCGHNOWQORV-GOEBONIOSA-N 1 3 334.420 -0.294 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCNC4(CC[NH2+]CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001222085776 811592939 /nfs/dbraw/zinc/59/29/39/811592939.db2.gz KNHGIFITCYNPIK-CRWXNKLISA-N 1 3 327.425 -0.749 20 0 EBADHO c1cc(N2CC[NH2+]CC2)ncc1CN1CCOC[C@@]2(CNCCO2)C1 ZINC001222190444 811608907 /nfs/dbraw/zinc/60/89/07/811608907.db2.gz BOEOALBSUSPAGQ-GOSISDBHSA-N 1 3 347.463 -0.318 20 0 EBADHO C[NH+](C)CCC(=O)NCC1CCN(CCN2CCNC2=O)CC1 ZINC001224346290 811758995 /nfs/dbraw/zinc/75/89/95/811758995.db2.gz FLXXOYTWCOOBII-UHFFFAOYSA-N 1 3 325.457 -0.209 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CCN(CC(N)=O)CC1 ZINC001225442481 811810628 /nfs/dbraw/zinc/81/06/28/811810628.db2.gz KXBAXLICFLDDLA-CYBMUJFWSA-N 1 3 326.441 -0.732 20 0 EBADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001226831057 811885677 /nfs/dbraw/zinc/88/56/77/811885677.db2.gz NCUUNVZEMGTMBM-CHWSQXEVSA-N 1 3 339.440 -0.317 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1 ZINC001229390077 812030476 /nfs/dbraw/zinc/03/04/76/812030476.db2.gz YBJWFMHHJMIHAE-ZIAGYGMSSA-N 1 3 326.441 -0.401 20 0 EBADHO CCCN(C)CC(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001230113024 812076973 /nfs/dbraw/zinc/07/69/73/812076973.db2.gz NIBQNDRGORLMFM-MRXNPFEDSA-N 1 3 345.484 -0.067 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284585 812097469 /nfs/dbraw/zinc/09/74/69/812097469.db2.gz MHQIEBRWDGFZAB-CHWSQXEVSA-N 1 3 341.456 -0.201 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC(N4CC[C@H]([NH3+])C4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236617665 812518758 /nfs/dbraw/zinc/51/87/58/812518758.db2.gz WVPGZIYMUPRKDL-SLZITWOASA-N 1 3 341.452 -0.279 20 0 EBADHO CCOC(=O)c1ccncc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879926 812534693 /nfs/dbraw/zinc/53/46/93/812534693.db2.gz YRYRETAUNKAFMS-UHFFFAOYSA-N 1 3 344.437 -0.135 20 0 EBADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCc1nnn2c1CNCCC2 ZINC001245987966 812558776 /nfs/dbraw/zinc/55/87/76/812558776.db2.gz SRWVTVGIDBNSFB-WMLDXEAASA-N 1 3 330.436 -0.208 20 0 EBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)N3)CN1 ZINC001246183163 812567275 /nfs/dbraw/zinc/56/72/75/812567275.db2.gz FGKWJRYSAFIIIT-RXFXENDJSA-N 1 3 325.409 -0.448 20 0 EBADHO COC(=O)[C@H](CCCC[NH2+]C1CCNCC1)NC(=O)CNC(C)=O ZINC001246517400 812574803 /nfs/dbraw/zinc/57/48/03/812574803.db2.gz BWQWWNFKMXHTFG-AWEZNQCLSA-N 1 3 342.440 -0.708 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC12CC[NH2+]CC2)O3 ZINC001247010072 812595421 /nfs/dbraw/zinc/59/54/21/812595421.db2.gz MNYYVJUIVRMIKX-OSFYFWSMSA-N 1 3 327.450 -0.337 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC[C@@]12CC[NH2+]C2)O3 ZINC001247012958 812595465 /nfs/dbraw/zinc/59/54/65/812595465.db2.gz VJJFWGFQONCRJJ-QTVXIADOSA-N 1 3 327.450 -0.337 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081505313 813093053 /nfs/dbraw/zinc/09/30/53/813093053.db2.gz DOIJZEYECWUQKC-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001264173110 813161143 /nfs/dbraw/zinc/16/11/43/813161143.db2.gz XWNWBEFTSUYELF-KBMXLJTQSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001264173110 813161146 /nfs/dbraw/zinc/16/11/46/813161146.db2.gz XWNWBEFTSUYELF-KBMXLJTQSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081553711 813168176 /nfs/dbraw/zinc/16/81/76/813168176.db2.gz MIWJKVAFMNFKHR-ZIAGYGMSSA-N 1 3 328.457 -0.786 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)N(C)C ZINC001265454648 813327376 /nfs/dbraw/zinc/32/73/76/813327376.db2.gz YBOHAJBJHBUKQF-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081636134 813344438 /nfs/dbraw/zinc/34/44/38/813344438.db2.gz ZLKQJXDYMXARGC-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001265789049 813371237 /nfs/dbraw/zinc/37/12/37/813371237.db2.gz YREZSGAJDAHSFO-WFASDCNBSA-N 1 3 326.441 -0.184 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733121 813489016 /nfs/dbraw/zinc/48/90/16/813489016.db2.gz PICBLOUVCJFBMI-KGLIPLIRSA-N 1 3 342.484 -0.396 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266559828 813609596 /nfs/dbraw/zinc/60/95/96/813609596.db2.gz OPWUITVHUBQRKF-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266559828 813609605 /nfs/dbraw/zinc/60/96/05/813609605.db2.gz OPWUITVHUBQRKF-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266741555 813657499 /nfs/dbraw/zinc/65/74/99/813657499.db2.gz YIGOBBGIXWXDJJ-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266741555 813657504 /nfs/dbraw/zinc/65/75/04/813657504.db2.gz YIGOBBGIXWXDJJ-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO C[NH+](C)CCCC(=O)NCC[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C1 ZINC001267563885 813931864 /nfs/dbraw/zinc/93/18/64/813931864.db2.gz HTZFIMXPYDSLBG-KGLIPLIRSA-N 1 3 338.452 -0.038 20 0 EBADHO CCN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268472984 814256902 /nfs/dbraw/zinc/25/69/02/814256902.db2.gz AINVODPZCMURNW-KBPBESRZSA-N 1 3 348.513 -0.296 20 0 EBADHO CCN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268472984 814256905 /nfs/dbraw/zinc/25/69/05/814256905.db2.gz AINVODPZCMURNW-KBPBESRZSA-N 1 3 348.513 -0.296 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269186394 814571999 /nfs/dbraw/zinc/57/19/99/814571999.db2.gz GJWZAZWUGAMBFY-KRWDZBQOSA-N 1 3 340.468 -0.280 20 0 EBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517607 815804340 /nfs/dbraw/zinc/80/43/40/815804340.db2.gz RTYIVROAUYGDLT-KBPBESRZSA-N 1 3 325.457 -0.305 20 0 EBADHO C[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271529338 816133907 /nfs/dbraw/zinc/13/39/07/816133907.db2.gz DYTYUAAXLBFIBQ-NWDGAFQWSA-N 1 3 343.453 -0.672 20 0 EBADHO Cn1cc(CNCCN(CCO)C(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001272168586 816337131 /nfs/dbraw/zinc/33/71/31/816337131.db2.gz LFXIEZXIESHPKK-INIZCTEOSA-N 1 3 335.452 -0.328 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414699 816425720 /nfs/dbraw/zinc/42/57/20/816425720.db2.gz ROTBMLOWDGFUBI-HZPDHXFCSA-N 1 3 337.468 -0.098 20 0 EBADHO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)CN1CCOCC1 ZINC001273184881 816602622 /nfs/dbraw/zinc/60/26/22/816602622.db2.gz UTAHQYHEVMOPEJ-CHWSQXEVSA-N 1 3 339.444 -0.837 20 0 EBADHO Cn1cc(CC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)cn1 ZINC001273322829 816644215 /nfs/dbraw/zinc/64/42/15/816644215.db2.gz JRUCYDAWLPFDOP-OAHLLOKOSA-N 1 3 332.408 -0.255 20 0 EBADHO CC[NH+](CC)C[C@@H](O)CN1CC2(C1)COCC(=O)N2CCN(C)C ZINC001274655450 817060687 /nfs/dbraw/zinc/06/06/87/817060687.db2.gz KMILPMLTRPBHPC-OAHLLOKOSA-N 1 3 342.484 -0.836 20 0 EBADHO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001274919035 817121121 /nfs/dbraw/zinc/12/11/21/817121121.db2.gz INJCQXGNKFIRLO-QWHCGFSZSA-N 1 3 334.486 -0.686 20 0 EBADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)c(=O)n(C)c1=O ZINC001276321216 817385961 /nfs/dbraw/zinc/38/59/61/817385961.db2.gz AHTBSLRSKSNRDJ-MQVJKMGUSA-N 1 3 349.479 -0.269 20 0 EBADHO O=C(C1=CNN2C=CNC=C12)N1CCC12CN(CC1CC[NH2+]CC1)C2 ZINC001276710307 817457851 /nfs/dbraw/zinc/45/78/51/817457851.db2.gz UITBFKZYZWOQTM-UHFFFAOYSA-N 1 3 342.447 -0.107 20 0 EBADHO CN(CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)S(C)(=O)=O ZINC001277997914 817670857 /nfs/dbraw/zinc/67/08/57/817670857.db2.gz VVIPTQZTLSPWDE-AWEZNQCLSA-N 1 3 346.497 -0.446 20 0 EBADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001281518581 818207942 /nfs/dbraw/zinc/20/79/42/818207942.db2.gz ROEHSUKGINSDEI-CYBMUJFWSA-N 1 3 348.513 -0.154 20 0 EBADHO CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927701 818534163 /nfs/dbraw/zinc/53/41/63/818534163.db2.gz HCMLMMGVDKZUCH-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001283925465 819030845 /nfs/dbraw/zinc/03/08/45/819030845.db2.gz DAROVZLBYIRXPV-OLZOCXBDSA-N 1 3 334.486 -0.544 20 0 EBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373645 819156657 /nfs/dbraw/zinc/15/66/57/819156657.db2.gz JDRCPQWEUDTLNN-JKSUJKDBSA-N 1 3 341.452 -0.873 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098488403 819214023 /nfs/dbraw/zinc/21/40/23/819214023.db2.gz VQGZZGLURLOGFT-UHFFFAOYSA-N 1 3 340.424 -0.754 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098488403 819214029 /nfs/dbraw/zinc/21/40/29/819214029.db2.gz VQGZZGLURLOGFT-UHFFFAOYSA-N 1 3 340.424 -0.754 20 0 EBADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098540670 819238125 /nfs/dbraw/zinc/23/81/25/819238125.db2.gz UKHMZTVFKGEQSW-UHFFFAOYSA-N 1 3 345.484 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098540670 819238131 /nfs/dbraw/zinc/23/81/31/819238131.db2.gz UKHMZTVFKGEQSW-UHFFFAOYSA-N 1 3 345.484 -0.378 20 0 EBADHO CC(=O)NCCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001284750938 819347123 /nfs/dbraw/zinc/34/71/23/819347123.db2.gz NEUPFXSMJSYCQB-UYSNPLJNSA-N 1 3 340.468 -0.188 20 0 EBADHO Cn1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001099987024 819993454 /nfs/dbraw/zinc/99/34/54/819993454.db2.gz SOSOJOMLEJQKJX-CABCVRRESA-N 1 3 336.436 -0.612 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCN2CCCC2=O)C[C@H]1O ZINC001099988352 819996311 /nfs/dbraw/zinc/99/63/11/819996311.db2.gz HENFDTLKDPJUPG-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100459966 820429718 /nfs/dbraw/zinc/42/97/18/820429718.db2.gz IGRVFTDEQNFZNK-UHFFFAOYSA-N 1 3 327.429 -0.604 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100676230 820507196 /nfs/dbraw/zinc/50/71/96/820507196.db2.gz LETQOUXVYAXBIQ-WLYUNCDWSA-N 1 3 337.468 -0.020 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100676038 820507978 /nfs/dbraw/zinc/50/79/78/820507978.db2.gz HRMFXJHJKQINTM-IYXRBSQSSA-N 1 3 331.482 0.000 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100770986 820547650 /nfs/dbraw/zinc/54/76/50/820547650.db2.gz SUKRCVVCPKPCBF-UNXYVOJBSA-N 1 3 327.429 -0.604 20 0 EBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432319 820790417 /nfs/dbraw/zinc/79/04/17/820790417.db2.gz LPEUYWAHLOVSGJ-CPUCHLNUSA-N 1 3 340.468 -0.391 20 0 EBADHO C[NH+](C)CCOCC(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC001293768818 820823032 /nfs/dbraw/zinc/82/30/32/820823032.db2.gz XAFQQRQHXYXIJZ-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319095 821069932 /nfs/dbraw/zinc/06/99/32/821069932.db2.gz YWYKSORIBKUJLQ-HUUCEWRRSA-N 1 3 340.468 -0.519 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102475303 821120042 /nfs/dbraw/zinc/12/00/42/821120042.db2.gz IAEBNHSXQYFFJV-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102475303 821120044 /nfs/dbraw/zinc/12/00/44/821120044.db2.gz IAEBNHSXQYFFJV-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105360772 821718730 /nfs/dbraw/zinc/71/87/30/821718730.db2.gz HJGLSYMLDLVMBQ-UHFFFAOYSA-N 1 3 336.440 -0.261 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001316635874 821822794 /nfs/dbraw/zinc/82/27/94/821822794.db2.gz HOXXFXATKNXEIV-SYQHCUMBSA-N 1 3 336.436 -0.382 20 0 EBADHO C[C@@H](O)CN1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001316959474 821940223 /nfs/dbraw/zinc/94/02/23/821940223.db2.gz KDUQIWLKRRQAFE-OAHLLOKOSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001317308922 822078832 /nfs/dbraw/zinc/07/88/32/822078832.db2.gz ZIXXWJPWFGLHPK-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001317396896 822099989 /nfs/dbraw/zinc/09/99/89/822099989.db2.gz RVQMDGWGZOVLPK-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001317532818 822146693 /nfs/dbraw/zinc/14/66/93/822146693.db2.gz OSTOJNNBJNCLCU-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001317532818 822146699 /nfs/dbraw/zinc/14/66/99/822146699.db2.gz OSTOJNNBJNCLCU-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)N(C)C ZINC001106673151 822309275 /nfs/dbraw/zinc/30/92/75/822309275.db2.gz FLLKQQQYFKTATL-UTUOFQBUSA-N 1 3 327.429 -0.794 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001128540117 828472358 /nfs/dbraw/zinc/47/23/58/828472358.db2.gz PUCQEYOAIZQYIH-LBPRGKRZSA-N 1 3 340.465 -0.689 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128545187 828473205 /nfs/dbraw/zinc/47/32/05/828473205.db2.gz VRJUVEVINDWJTB-QWRGUYRKSA-N 1 3 333.408 -0.784 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001128773548 828524268 /nfs/dbraw/zinc/52/42/68/828524268.db2.gz BDKSAGRBZFSIGW-CYBMUJFWSA-N 1 3 339.440 -0.445 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001128773548 828524272 /nfs/dbraw/zinc/52/42/72/828524272.db2.gz BDKSAGRBZFSIGW-CYBMUJFWSA-N 1 3 339.440 -0.445 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCCNS(=O)(=O)CC ZINC001128785742 828526472 /nfs/dbraw/zinc/52/64/72/828526472.db2.gz QZXZPHVGGKEWFB-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCCNS(=O)(=O)CC ZINC001128785742 828526474 /nfs/dbraw/zinc/52/64/74/828526474.db2.gz QZXZPHVGGKEWFB-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CCC1 ZINC001129356770 828605078 /nfs/dbraw/zinc/60/50/78/828605078.db2.gz HLZDJPKABBPDFU-UHFFFAOYSA-N 1 3 325.413 -0.882 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129364327 828606025 /nfs/dbraw/zinc/60/60/25/828606025.db2.gz SKHINNLIFWOBJE-KGLIPLIRSA-N 1 3 340.468 -0.140 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129454243 828622391 /nfs/dbraw/zinc/62/23/91/828622391.db2.gz IBYUABHLYVENDH-AWEZNQCLSA-N 1 3 341.456 -0.342 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C1CCC1 ZINC001129535180 828632230 /nfs/dbraw/zinc/63/22/30/828632230.db2.gz KPSYBATZUAYJJE-UHFFFAOYSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001129840753 828680642 /nfs/dbraw/zinc/68/06/42/828680642.db2.gz IYXRLQFXLKJTEX-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001129840753 828680646 /nfs/dbraw/zinc/68/06/46/828680646.db2.gz IYXRLQFXLKJTEX-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001110979883 824826519 /nfs/dbraw/zinc/82/65/19/824826519.db2.gz HIZVCCBJXFDPSP-QXSJWSMHSA-N 1 3 335.452 -0.083 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007321 828713759 /nfs/dbraw/zinc/71/37/59/828713759.db2.gz IXVGCFQKSIWBRV-ILXRZTDVSA-N 1 3 338.456 -0.004 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179580625 832991034 /nfs/dbraw/zinc/99/10/34/832991034.db2.gz KHFHNAYNAHXGJR-ZDUSSCGKSA-N 1 3 341.456 -0.068 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001130200661 828753696 /nfs/dbraw/zinc/75/36/96/828753696.db2.gz MTYGXBARDGXWTQ-ZYHUDNBSSA-N 1 3 327.429 -0.591 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001130425009 828829579 /nfs/dbraw/zinc/82/95/79/828829579.db2.gz KAZGKVRBSFATEL-UONOGXRCSA-N 1 3 333.473 -0.165 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114425651 826244234 /nfs/dbraw/zinc/24/42/34/826244234.db2.gz FJSJSWABJQFZRV-LJIGWXMPSA-N 1 3 325.453 -0.084 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114425651 826244236 /nfs/dbraw/zinc/24/42/36/826244236.db2.gz FJSJSWABJQFZRV-LJIGWXMPSA-N 1 3 325.453 -0.084 20 0 EBADHO CCn1nncc1CN[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933568 833028080 /nfs/dbraw/zinc/02/80/80/833028080.db2.gz IGODXBIBWBIGAY-ZFWWWQNUSA-N 1 3 338.456 -0.045 20 0 EBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663289 826315159 /nfs/dbraw/zinc/31/51/59/826315159.db2.gz SNLYSDYGZZOLOL-BYNSBNAKSA-N 1 3 325.453 -0.086 20 0 EBADHO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663289 826315161 /nfs/dbraw/zinc/31/51/61/826315161.db2.gz SNLYSDYGZZOLOL-BYNSBNAKSA-N 1 3 325.453 -0.086 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001114733326 826327555 /nfs/dbraw/zinc/32/75/55/826327555.db2.gz ZKYIVGXBCKGSCT-RFBLXINOSA-N 1 3 325.453 -0.228 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC[N@H+]1C ZINC001114733326 826327561 /nfs/dbraw/zinc/32/75/61/826327561.db2.gz ZKYIVGXBCKGSCT-RFBLXINOSA-N 1 3 325.453 -0.228 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001115038575 826406053 /nfs/dbraw/zinc/40/60/53/826406053.db2.gz MLBFZCMVPLIJRY-CTASWTNQSA-N 1 3 336.436 -0.968 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115292715 826497325 /nfs/dbraw/zinc/49/73/25/826497325.db2.gz UDRSZZRHCVRZSQ-QLPKVWCKSA-N 1 3 349.479 -0.066 20 0 EBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001120207717 827180797 /nfs/dbraw/zinc/18/07/97/827180797.db2.gz CBNNXFOYWASNTC-UHFFFAOYSA-N 1 3 341.456 -0.070 20 0 EBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670543 833251542 /nfs/dbraw/zinc/25/15/42/833251542.db2.gz QNDJJHYIHMDYKK-QWHCGFSZSA-N 1 3 336.440 -0.617 20 0 EBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)C1CC1 ZINC001183267249 833285072 /nfs/dbraw/zinc/28/50/72/833285072.db2.gz KOHGLRHTKRFDMJ-KGLIPLIRSA-N 1 3 346.497 -0.592 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576200 833295868 /nfs/dbraw/zinc/29/58/68/833295868.db2.gz FOKCJEQPALXGOK-GFCCVEGCSA-N 1 3 337.424 -0.752 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065738 828246482 /nfs/dbraw/zinc/24/64/82/828246482.db2.gz DQKGLGZXJXNCSJ-AWEZNQCLSA-N 1 3 328.457 -0.282 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065738 828246491 /nfs/dbraw/zinc/24/64/91/828246491.db2.gz DQKGLGZXJXNCSJ-AWEZNQCLSA-N 1 3 328.457 -0.282 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065739 828246618 /nfs/dbraw/zinc/24/66/18/828246618.db2.gz DQKGLGZXJXNCSJ-CQSZACIVSA-N 1 3 328.457 -0.282 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065739 828246623 /nfs/dbraw/zinc/24/66/23/828246623.db2.gz DQKGLGZXJXNCSJ-CQSZACIVSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001127066879 828247156 /nfs/dbraw/zinc/24/71/56/828247156.db2.gz UISHZSNFJMGCFJ-HNNXBMFYSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001127066879 828247161 /nfs/dbraw/zinc/24/71/61/828247161.db2.gz UISHZSNFJMGCFJ-HNNXBMFYSA-N 1 3 340.468 -0.140 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066421 828247287 /nfs/dbraw/zinc/24/72/87/828247287.db2.gz NVTWGTWSGHZSBU-LBPRGKRZSA-N 1 3 327.429 -0.589 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066421 828247290 /nfs/dbraw/zinc/24/72/90/828247290.db2.gz NVTWGTWSGHZSBU-LBPRGKRZSA-N 1 3 327.429 -0.589 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066420 828247603 /nfs/dbraw/zinc/24/76/03/828247603.db2.gz NVTWGTWSGHZSBU-GFCCVEGCSA-N 1 3 327.429 -0.589 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066420 828247608 /nfs/dbraw/zinc/24/76/08/828247608.db2.gz NVTWGTWSGHZSBU-GFCCVEGCSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001127066880 828247629 /nfs/dbraw/zinc/24/76/29/828247629.db2.gz UISHZSNFJMGCFJ-OAHLLOKOSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001127066880 828247635 /nfs/dbraw/zinc/24/76/35/828247635.db2.gz UISHZSNFJMGCFJ-OAHLLOKOSA-N 1 3 340.468 -0.140 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081789 828248095 /nfs/dbraw/zinc/24/80/95/828248095.db2.gz BPEMGIAXKGEZQV-NEPJUHHUSA-N 1 3 327.429 -0.591 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081789 828248099 /nfs/dbraw/zinc/24/80/99/828248099.db2.gz BPEMGIAXKGEZQV-NEPJUHHUSA-N 1 3 327.429 -0.591 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254591 828268951 /nfs/dbraw/zinc/26/89/51/828268951.db2.gz GBJBIQSRJGXIDH-STQMWFEESA-N 1 3 332.470 -0.884 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254591 828268955 /nfs/dbraw/zinc/26/89/55/828268955.db2.gz GBJBIQSRJGXIDH-STQMWFEESA-N 1 3 332.470 -0.884 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255709 828269512 /nfs/dbraw/zinc/26/95/12/828269512.db2.gz KYNYDDFNFIAJBS-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255709 828269514 /nfs/dbraw/zinc/26/95/14/828269514.db2.gz KYNYDDFNFIAJBS-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256106 828270065 /nfs/dbraw/zinc/27/00/65/828270065.db2.gz MJRLMJQLUFDTNP-KBPBESRZSA-N 1 3 346.497 -0.494 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256106 828270070 /nfs/dbraw/zinc/27/00/70/828270070.db2.gz MJRLMJQLUFDTNP-KBPBESRZSA-N 1 3 346.497 -0.494 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@H]1CCOC1 ZINC001127481178 828298183 /nfs/dbraw/zinc/29/81/83/828298183.db2.gz QOLDNERUQJECEK-HIFRSBDPSA-N 1 3 338.452 -0.813 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562047 828302440 /nfs/dbraw/zinc/30/24/40/828302440.db2.gz ADJNYLUVZHLGPP-UHFFFAOYSA-N 1 3 338.456 -0.464 20 0 EBADHO CNC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571671 828304172 /nfs/dbraw/zinc/30/41/72/828304172.db2.gz WYYMTERGZKENDM-HIFRSBDPSA-N 1 3 326.441 -0.815 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127777695 828324856 /nfs/dbraw/zinc/32/48/56/828324856.db2.gz BFYCJIXQQKCSOI-HUUCEWRRSA-N 1 3 349.435 -0.137 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127777695 828324863 /nfs/dbraw/zinc/32/48/63/828324863.db2.gz BFYCJIXQQKCSOI-HUUCEWRRSA-N 1 3 349.435 -0.137 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779272 828326965 /nfs/dbraw/zinc/32/69/65/828326965.db2.gz KKMWJZYIBJNJIS-LSDHHAIUSA-N 1 3 338.452 -0.576 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779272 828326974 /nfs/dbraw/zinc/32/69/74/828326974.db2.gz KKMWJZYIBJNJIS-LSDHHAIUSA-N 1 3 338.452 -0.576 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC001127778851 828327983 /nfs/dbraw/zinc/32/79/83/828327983.db2.gz GYFOAGRUXVURMZ-CABCVRRESA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC001127778851 828327991 /nfs/dbraw/zinc/32/79/91/828327991.db2.gz GYFOAGRUXVURMZ-CABCVRRESA-N 1 3 338.452 -0.386 20 0 EBADHO CN(CCC(=O)NCCNCC(=O)N1CCOCC1)c1cc[nH+]cc1 ZINC001130556395 828881665 /nfs/dbraw/zinc/88/16/65/828881665.db2.gz FMJOWQFKSLTJCV-UHFFFAOYSA-N 1 3 349.435 -0.528 20 0 EBADHO CC(C)(C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001184806877 833340632 /nfs/dbraw/zinc/34/06/32/833340632.db2.gz JIPCENKQDAXBME-LLVKDONJSA-N 1 3 325.413 -0.754 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001185651086 833364812 /nfs/dbraw/zinc/36/48/12/833364812.db2.gz RBLLHPGBFSRRGU-ZIAGYGMSSA-N 1 3 346.497 -0.447 20 0 EBADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519706 829151167 /nfs/dbraw/zinc/15/11/67/829151167.db2.gz JOCBISTZHVFCII-GNHJJJEISA-N 1 3 333.436 -0.202 20 0 EBADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519706 829151169 /nfs/dbraw/zinc/15/11/69/829151169.db2.gz JOCBISTZHVFCII-GNHJJJEISA-N 1 3 333.436 -0.202 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521809 829153668 /nfs/dbraw/zinc/15/36/68/829153668.db2.gz IDZGDEDEXSFNJX-UUCFBXCCSA-N 1 3 338.452 -0.672 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521809 829153670 /nfs/dbraw/zinc/15/36/70/829153670.db2.gz IDZGDEDEXSFNJX-UUCFBXCCSA-N 1 3 338.452 -0.672 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132883736 829544702 /nfs/dbraw/zinc/54/47/02/829544702.db2.gz WYJKHGWDQNXRKE-XQQFMLRXSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132883736 829544708 /nfs/dbraw/zinc/54/47/08/829544708.db2.gz WYJKHGWDQNXRKE-XQQFMLRXSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001132886700 829544898 /nfs/dbraw/zinc/54/48/98/829544898.db2.gz RTQDEVXODUHCBD-KKUMJFAQSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001132886700 829544901 /nfs/dbraw/zinc/54/49/01/829544901.db2.gz RTQDEVXODUHCBD-KKUMJFAQSA-N 1 3 340.468 -0.282 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893025 829545615 /nfs/dbraw/zinc/54/56/15/829545615.db2.gz HHELAFUROSSYGT-SRVKXCTJSA-N 1 3 327.429 -0.733 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893025 829545617 /nfs/dbraw/zinc/54/56/17/829545617.db2.gz HHELAFUROSSYGT-SRVKXCTJSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001133051845 829578888 /nfs/dbraw/zinc/57/88/88/829578888.db2.gz RJGOBZLGTBMTKG-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001133433943 829631207 /nfs/dbraw/zinc/63/12/07/829631207.db2.gz DXWSZCWTZCXXLW-CYBMUJFWSA-N 1 3 327.429 -0.780 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCCCOC)C1 ZINC001186824634 833432130 /nfs/dbraw/zinc/43/21/30/833432130.db2.gz CNSGAVBNNQZJGD-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCCCOC)C1 ZINC001186824634 833432134 /nfs/dbraw/zinc/43/21/34/833432134.db2.gz CNSGAVBNNQZJGD-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001133846350 829685609 /nfs/dbraw/zinc/68/56/09/829685609.db2.gz ZGLQBBCXGXCKRW-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001133846350 829685616 /nfs/dbraw/zinc/68/56/16/829685616.db2.gz ZGLQBBCXGXCKRW-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133851058 829687516 /nfs/dbraw/zinc/68/75/16/829687516.db2.gz VYOUUTBYIJJGEE-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133851058 829687520 /nfs/dbraw/zinc/68/75/20/829687520.db2.gz VYOUUTBYIJJGEE-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867202 829689791 /nfs/dbraw/zinc/68/97/91/829689791.db2.gz RODZIQMVVXQAAW-CABCVRRESA-N 1 3 342.484 -0.179 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133867202 829689795 /nfs/dbraw/zinc/68/97/95/829689795.db2.gz RODZIQMVVXQAAW-CABCVRRESA-N 1 3 342.484 -0.179 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)N(C)C ZINC001133968116 829707843 /nfs/dbraw/zinc/70/78/43/829707843.db2.gz OGSFFZKWOOIAOU-OLZOCXBDSA-N 1 3 343.472 -0.097 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758993 829840367 /nfs/dbraw/zinc/84/03/67/829840367.db2.gz DVAKEWGESIWIGL-CQSZACIVSA-N 1 3 348.513 -0.104 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC1 ZINC001134780612 829845430 /nfs/dbraw/zinc/84/54/30/829845430.db2.gz ODINHBGBKOIHBU-OAHLLOKOSA-N 1 3 340.468 -0.281 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135115039 829900284 /nfs/dbraw/zinc/90/02/84/829900284.db2.gz USAMJFHLDZYRMP-UHFFFAOYSA-N 1 3 338.456 -0.320 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)NC(=O)NC)C(C)C ZINC001135478250 829974832 /nfs/dbraw/zinc/97/48/32/829974832.db2.gz YPJYNHSQLKQPRQ-CYBMUJFWSA-N 1 3 329.445 -0.486 20 0 EBADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744160 830018714 /nfs/dbraw/zinc/01/87/14/830018714.db2.gz XATKWROGWOZOCL-NWDGAFQWSA-N 1 3 329.445 -0.343 20 0 EBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959239 830051524 /nfs/dbraw/zinc/05/15/24/830051524.db2.gz MSUIZSYOCWFUHA-CQSZACIVSA-N 1 3 342.484 -0.036 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979494 830056062 /nfs/dbraw/zinc/05/60/62/830056062.db2.gz GVIHPBXJZYOHOM-CHWSQXEVSA-N 1 3 336.502 -0.250 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001211269410 837420533 /nfs/dbraw/zinc/42/05/33/837420533.db2.gz QLECOPCWHBBQTL-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286140 837421855 /nfs/dbraw/zinc/42/18/55/837421855.db2.gz TYMBHHTYJWWBNC-CVEARBPZSA-N 1 3 345.484 -0.069 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284531 837422011 /nfs/dbraw/zinc/42/20/11/837422011.db2.gz MHELSYPUKJANAL-OLZOCXBDSA-N 1 3 341.456 -0.249 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711354 830222627 /nfs/dbraw/zinc/22/26/27/830222627.db2.gz QNZBLQOLQHDSNY-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711354 830222630 /nfs/dbraw/zinc/22/26/30/830222630.db2.gz QNZBLQOLQHDSNY-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147836215 830418697 /nfs/dbraw/zinc/41/86/97/830418697.db2.gz ZKMDEAGADXUJNP-KBPBESRZSA-N 1 3 348.513 -0.248 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900265 830428564 /nfs/dbraw/zinc/42/85/64/830428564.db2.gz KYWWBDRMGRTRJG-ZDUSSCGKSA-N 1 3 341.456 -0.340 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900265 830428566 /nfs/dbraw/zinc/42/85/66/830428566.db2.gz KYWWBDRMGRTRJG-ZDUSSCGKSA-N 1 3 341.456 -0.340 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900878 830428581 /nfs/dbraw/zinc/42/85/81/830428581.db2.gz XSWVXBNQKIKFPE-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900878 830428584 /nfs/dbraw/zinc/42/85/84/830428584.db2.gz XSWVXBNQKIKFPE-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291698 830464950 /nfs/dbraw/zinc/46/49/50/830464950.db2.gz BBOUMYDENRDYQY-HUUCEWRRSA-N 1 3 325.453 -0.273 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291698 830464955 /nfs/dbraw/zinc/46/49/55/830464955.db2.gz BBOUMYDENRDYQY-HUUCEWRRSA-N 1 3 325.453 -0.273 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC ZINC001148571088 830509650 /nfs/dbraw/zinc/50/96/50/830509650.db2.gz VTWZJFRZEZLVSJ-GFCCVEGCSA-N 1 3 329.445 -0.342 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC ZINC001148571088 830509658 /nfs/dbraw/zinc/50/96/58/830509658.db2.gz VTWZJFRZEZLVSJ-GFCCVEGCSA-N 1 3 329.445 -0.342 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001148577741 830512043 /nfs/dbraw/zinc/51/20/43/830512043.db2.gz BAQOMMFIRTUPKJ-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001148577741 830512048 /nfs/dbraw/zinc/51/20/48/830512048.db2.gz BAQOMMFIRTUPKJ-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO C[C@H](COCC(=O)NC[C@H]1CN(CCO)CCCO1)[NH+]1CCCC1 ZINC001150334337 830867063 /nfs/dbraw/zinc/86/70/63/830867063.db2.gz VCOULKFBIGOSPM-CVEARBPZSA-N 1 3 343.468 -0.313 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589892 830940457 /nfs/dbraw/zinc/94/04/57/830940457.db2.gz XEEPYFFVCRFAHM-LSDHHAIUSA-N 1 3 341.452 -0.703 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064396 831017446 /nfs/dbraw/zinc/01/74/46/831017446.db2.gz BFJWGJJMPWMGOM-WDEREUQCSA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064396 831017455 /nfs/dbraw/zinc/01/74/55/831017455.db2.gz BFJWGJJMPWMGOM-WDEREUQCSA-N 1 3 336.358 -0.193 20 0 EBADHO COc1ccc(CNC(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001151065223 831019246 /nfs/dbraw/zinc/01/92/46/831019246.db2.gz IOODNXSVIDRXKJ-HNNXBMFYSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1ccc(CNC(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001151065223 831019254 /nfs/dbraw/zinc/01/92/54/831019254.db2.gz IOODNXSVIDRXKJ-HNNXBMFYSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065472 831019486 /nfs/dbraw/zinc/01/94/86/831019486.db2.gz JYPXGYHGVBTFLY-OAHLLOKOSA-N 1 3 348.447 -0.031 20 0 EBADHO COc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065472 831019496 /nfs/dbraw/zinc/01/94/96/831019496.db2.gz JYPXGYHGVBTFLY-OAHLLOKOSA-N 1 3 348.447 -0.031 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072924 831019535 /nfs/dbraw/zinc/01/95/35/831019535.db2.gz AKOWDJDKFHQVAN-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072924 831019542 /nfs/dbraw/zinc/01/95/42/831019542.db2.gz AKOWDJDKFHQVAN-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066332 831020129 /nfs/dbraw/zinc/02/01/29/831020129.db2.gz SSHUFQBRGLWWDK-STQMWFEESA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066332 831020138 /nfs/dbraw/zinc/02/01/38/831020138.db2.gz SSHUFQBRGLWWDK-STQMWFEESA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073468 831021996 /nfs/dbraw/zinc/02/19/96/831021996.db2.gz LWJRKHICVWVBBB-NWDGAFQWSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073468 831022007 /nfs/dbraw/zinc/02/20/07/831022007.db2.gz LWJRKHICVWVBBB-NWDGAFQWSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001152145616 831133988 /nfs/dbraw/zinc/13/39/88/831133988.db2.gz CMTNGOHHBIJMLC-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001152145819 831134096 /nfs/dbraw/zinc/13/40/96/831134096.db2.gz DZECDCDUCLCCKC-BETUJISGSA-N 1 3 334.486 -0.544 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001152145819 831134099 /nfs/dbraw/zinc/13/40/99/831134099.db2.gz DZECDCDUCLCCKC-BETUJISGSA-N 1 3 334.486 -0.544 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152222689 831143352 /nfs/dbraw/zinc/14/33/52/831143352.db2.gz AUOTUTQFGGDOJE-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CN(C)Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001152246285 831144499 /nfs/dbraw/zinc/14/44/99/831144499.db2.gz WKDURZLOOXQHLE-CQSZACIVSA-N 1 3 332.404 -0.127 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340340 831154098 /nfs/dbraw/zinc/15/40/98/831154098.db2.gz MFUDVPAWSHVWMT-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152339828 831154187 /nfs/dbraw/zinc/15/41/87/831154187.db2.gz CDITVCRUDDWNRL-UHFFFAOYSA-N 1 3 341.456 -0.196 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001152347835 831154366 /nfs/dbraw/zinc/15/43/66/831154366.db2.gz IHIYURMQFWEZMS-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001152445268 831163262 /nfs/dbraw/zinc/16/32/62/831163262.db2.gz GHMGPDIZRWKFRO-UHFFFAOYSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152470931 831165451 /nfs/dbraw/zinc/16/54/51/831165451.db2.gz GCWHZBZCISXWHF-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001152464326 831165765 /nfs/dbraw/zinc/16/57/65/831165765.db2.gz KVMMIJABSRGNFR-ZDUSSCGKSA-N 1 3 334.486 -0.638 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCN1C)C(=O)Nc1ncccn1 ZINC001155791269 831429787 /nfs/dbraw/zinc/42/97/87/831429787.db2.gz UXUXCOQCEIJGPB-OLZOCXBDSA-N 1 3 334.424 -0.006 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001155814763 831433335 /nfs/dbraw/zinc/43/33/35/831433335.db2.gz ZQDAUGFCRCDGLF-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114188 831536045 /nfs/dbraw/zinc/53/60/45/831536045.db2.gz SPJSDSFSGYODSU-CYBMUJFWSA-N 1 3 341.456 -0.295 20 0 EBADHO CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114188 831536048 /nfs/dbraw/zinc/53/60/48/831536048.db2.gz SPJSDSFSGYODSU-CYBMUJFWSA-N 1 3 341.456 -0.295 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157380151 831563026 /nfs/dbraw/zinc/56/30/26/831563026.db2.gz XERBGXXUKUESOS-AVGNSLFASA-N 1 3 341.456 -0.926 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076359 831624898 /nfs/dbraw/zinc/62/48/98/831624898.db2.gz GGNFYRYZWQJDMN-AWEZNQCLSA-N 1 3 326.441 -0.399 20 0 EBADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001158083176 831625854 /nfs/dbraw/zinc/62/58/54/831625854.db2.gz XWQIGZPKTJNYJG-LBPRGKRZSA-N 1 3 327.450 -0.507 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158486665 831659775 /nfs/dbraw/zinc/65/97/75/831659775.db2.gz QLLDWMVESXXLDT-HUUCEWRRSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158486665 831659778 /nfs/dbraw/zinc/65/97/78/831659778.db2.gz QLLDWMVESXXLDT-HUUCEWRRSA-N 1 3 349.435 -0.056 20 0 EBADHO O=C([C@@H]1CNCc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534835 831664370 /nfs/dbraw/zinc/66/43/70/831664370.db2.gz UPUJKCJKEGSTOH-IARIHHJXSA-N 1 3 331.420 -0.418 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1=O ZINC001158577298 831667023 /nfs/dbraw/zinc/66/70/23/831667023.db2.gz HDBYUIWPVCSGCT-AVGNSLFASA-N 1 3 326.416 -0.138 20 0 EBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001158790434 831686623 /nfs/dbraw/zinc/68/66/23/831686623.db2.gz LWLHYZHYBULMJS-PBFPGSCMSA-N 1 3 348.451 -0.431 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934970 831696662 /nfs/dbraw/zinc/69/66/62/831696662.db2.gz LZSPXOYTBNBOIF-RBSFLKMASA-N 1 3 331.420 -0.150 20 0 EBADHO Cn1nnc2c1CCN(C(=O)C1(N)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125629 831710013 /nfs/dbraw/zinc/71/00/13/831710013.db2.gz XAGFPQTVVNKTES-CQSZACIVSA-N 1 3 348.451 -0.155 20 0 EBADHO CCOC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)Cc2cnn(C)c21 ZINC001159393693 831748540 /nfs/dbraw/zinc/74/85/40/831748540.db2.gz IJRGYJSMOVPHFX-UONOGXRCSA-N 1 3 333.436 -0.309 20 0 EBADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C3)n1 ZINC001159471931 831754905 /nfs/dbraw/zinc/75/49/05/831754905.db2.gz LTTQKJHIOIEYJR-XJKCOSOUSA-N 1 3 335.408 -0.569 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514552 831758024 /nfs/dbraw/zinc/75/80/24/831758024.db2.gz GGDOBCQXMNMNKT-ZDUSSCGKSA-N 1 3 346.439 -0.289 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159644352 831768943 /nfs/dbraw/zinc/76/89/43/831768943.db2.gz UKPASTQPCKKXQN-HNNXBMFYSA-N 1 3 345.451 -0.031 20 0 EBADHO N[C@@H](CC[NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667861 831771613 /nfs/dbraw/zinc/77/16/13/831771613.db2.gz VKQCCWHGXBRYEV-XHSDSOJGSA-N 1 3 333.436 -0.441 20 0 EBADHO [NH3+]CCCNCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668017 831772223 /nfs/dbraw/zinc/77/22/23/831772223.db2.gz WJHAWMSHUZWDJW-DLBZAZTESA-N 1 3 347.463 -0.178 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)CCC1 ZINC001159860880 831789016 /nfs/dbraw/zinc/78/90/16/831789016.db2.gz GFOVUKHTNZTZDV-UHFFFAOYSA-N 1 3 339.440 -0.492 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1CC1 ZINC001159915253 831796729 /nfs/dbraw/zinc/79/67/29/831796729.db2.gz IKIGYBDLXJMHKH-ZDUSSCGKSA-N 1 3 334.486 -0.686 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001159915226 831796858 /nfs/dbraw/zinc/79/68/58/831796858.db2.gz HUEGWIQKOLSPML-GDBMZVCRSA-N 1 3 340.468 -0.282 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159917545 831797083 /nfs/dbraw/zinc/79/70/83/831797083.db2.gz ZFVNTRXKHWLDCT-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932842 831799566 /nfs/dbraw/zinc/79/95/66/831799566.db2.gz WFERAXMZWKLOBD-OCCSQVGLSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1)C1CCC1 ZINC001159997289 831802707 /nfs/dbraw/zinc/80/27/07/831802707.db2.gz KFLIWHSRQNNYRU-UHFFFAOYSA-N 1 3 326.441 -0.575 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C ZINC001160426776 831848624 /nfs/dbraw/zinc/84/86/24/831848624.db2.gz JNHJYZCCIFIJNE-ZBFHGGJFSA-N 1 3 342.484 -0.084 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001160434942 831850606 /nfs/dbraw/zinc/85/06/06/831850606.db2.gz VIMFORYGMSXXRI-GJZGRUSLSA-N 1 3 325.457 -0.074 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779500 831885512 /nfs/dbraw/zinc/88/55/12/831885512.db2.gz IBASVHIDDMTZKK-VKJFTORMSA-N 1 3 345.447 -0.238 20 0 EBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001160806121 831888990 /nfs/dbraw/zinc/88/89/90/831888990.db2.gz LTYLIAHCDKVWQQ-OAHLLOKOSA-N 1 3 349.435 -0.229 20 0 EBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160825044 831892194 /nfs/dbraw/zinc/89/21/94/831892194.db2.gz RZKPCLXXWRLLFU-TZMCWYRMSA-N 1 3 335.408 -0.275 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C ZINC001160883771 831903095 /nfs/dbraw/zinc/90/30/95/831903095.db2.gz UWQKXOZPYHMQOS-UONOGXRCSA-N 1 3 328.457 -0.282 20 0 EBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001160901123 831904915 /nfs/dbraw/zinc/90/49/15/831904915.db2.gz AITDZJJYIDPWCV-GFCCVEGCSA-N 1 3 347.419 -0.114 20 0 EBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001160901123 831904919 /nfs/dbraw/zinc/90/49/19/831904919.db2.gz AITDZJJYIDPWCV-GFCCVEGCSA-N 1 3 347.419 -0.114 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001161226325 831938423 /nfs/dbraw/zinc/93/84/23/831938423.db2.gz CVNAENPGDHACCJ-UHFFFAOYSA-N 1 3 341.456 -0.246 20 0 EBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(c2ncncn2)CC1 ZINC001161247356 831940452 /nfs/dbraw/zinc/94/04/52/831940452.db2.gz FEIAMNDPEFQMNI-CYBMUJFWSA-N 1 3 331.424 -0.606 20 0 EBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(c2ncncn2)CC1 ZINC001161247356 831940457 /nfs/dbraw/zinc/94/04/57/831940457.db2.gz FEIAMNDPEFQMNI-CYBMUJFWSA-N 1 3 331.424 -0.606 20 0 EBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(c2ncncn2)CC1 ZINC001161247357 831940607 /nfs/dbraw/zinc/94/06/07/831940607.db2.gz FEIAMNDPEFQMNI-ZDUSSCGKSA-N 1 3 331.424 -0.606 20 0 EBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(c2ncncn2)CC1 ZINC001161247357 831940611 /nfs/dbraw/zinc/94/06/11/831940611.db2.gz FEIAMNDPEFQMNI-ZDUSSCGKSA-N 1 3 331.424 -0.606 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001161251028 831941368 /nfs/dbraw/zinc/94/13/68/831941368.db2.gz JAVLLBJJERFGCG-UHFFFAOYSA-N 1 3 348.513 -0.152 20 0 EBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001161260964 831941654 /nfs/dbraw/zinc/94/16/54/831941654.db2.gz YUZRHFGUGMDNAD-AWEZNQCLSA-N 1 3 348.513 -0.024 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001161251747 831941894 /nfs/dbraw/zinc/94/18/94/831941894.db2.gz XLJDTWSVYXYFEA-UHFFFAOYSA-N 1 3 330.473 -0.035 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]1(C)CO ZINC001350199487 832130339 /nfs/dbraw/zinc/13/03/39/832130339.db2.gz FPVPDTUALXGDNL-YOEHRIQHSA-N 1 3 342.484 -0.585 20 0 EBADHO CN(c1ccc(C(=O)N2CCC([NH3+])CC2)cc1)S(=O)(=O)CCN ZINC001164300490 832182689 /nfs/dbraw/zinc/18/26/89/832182689.db2.gz RCKYGBVYMAXRQH-UHFFFAOYSA-N 1 3 340.449 -0.025 20 0 EBADHO CN(c1cccc2c1NC(=O)C21CC[NH2+]CC1)S(=O)(=O)CCN ZINC001164300335 832182790 /nfs/dbraw/zinc/18/27/90/832182790.db2.gz MWYQGRHDBKCKKQ-UHFFFAOYSA-N 1 3 338.433 -0.015 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001166633458 832274465 /nfs/dbraw/zinc/27/44/65/832274465.db2.gz GIUJCKQVNHPNHA-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626190 832274996 /nfs/dbraw/zinc/27/49/96/832274996.db2.gz CCEQUIHCRILMPU-LSDHHAIUSA-N 1 3 331.457 -0.410 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001166627663 832275161 /nfs/dbraw/zinc/27/51/61/832275161.db2.gz ZAEBBQPYCYGTOZ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166634449 832275731 /nfs/dbraw/zinc/27/57/31/832275731.db2.gz SDPZEOTTXAOCOZ-GFCCVEGCSA-N 1 3 339.440 -0.445 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634133 832276175 /nfs/dbraw/zinc/27/61/75/832276175.db2.gz OUULUTBTVJUKNE-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001166676676 832278830 /nfs/dbraw/zinc/27/88/30/832278830.db2.gz AYGGKABMKITLSC-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001166676772 832279387 /nfs/dbraw/zinc/27/93/87/832279387.db2.gz CEVOYKHVHUHVFK-LSDHHAIUSA-N 1 3 340.468 -0.423 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765283 832286198 /nfs/dbraw/zinc/28/61/98/832286198.db2.gz WBVWAYKIIVHTGV-UHFFFAOYSA-N 1 3 327.429 -0.730 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744132 832286248 /nfs/dbraw/zinc/28/62/48/832286248.db2.gz JEYXXMLTLNRLKJ-UHFFFAOYSA-N 1 3 343.472 -0.094 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)N(C)C ZINC001166852180 832293934 /nfs/dbraw/zinc/29/39/34/832293934.db2.gz NKPIQVIXEOBOFR-ZDUSSCGKSA-N 1 3 339.440 -0.980 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC)N(C)C ZINC001166851683 832294253 /nfs/dbraw/zinc/29/42/53/832294253.db2.gz DUKKTKRUWYSCNQ-KGLIPLIRSA-N 1 3 330.473 -0.036 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001353426000 832427553 /nfs/dbraw/zinc/42/75/53/832427553.db2.gz UYDWZEMFXCVRKT-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CCN1CCN(CCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583139 832434035 /nfs/dbraw/zinc/43/40/35/832434035.db2.gz ROGODDMEDKQSFZ-OAHLLOKOSA-N 1 3 339.484 -0.673 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583915 832434083 /nfs/dbraw/zinc/43/40/83/832434083.db2.gz VDDBNXAMUZDGMQ-LSDHHAIUSA-N 1 3 339.484 -0.674 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001168755060 832434332 /nfs/dbraw/zinc/43/43/32/832434332.db2.gz GZQLXIUFODIYFN-UHFFFAOYSA-N 1 3 334.486 -0.540 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173572629 832585862 /nfs/dbraw/zinc/58/58/62/832585862.db2.gz RPNFQZAIAKPQPW-RVMXOQNASA-N 1 3 343.424 -0.440 20 0 EBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)n(C)n1 ZINC001176095673 832657576 /nfs/dbraw/zinc/65/75/76/832657576.db2.gz HDPJIJADXHYTSM-CYBMUJFWSA-N 1 3 336.440 -0.285 20 0 EBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n(C)n1 ZINC001176095673 832657577 /nfs/dbraw/zinc/65/75/77/832657577.db2.gz HDPJIJADXHYTSM-CYBMUJFWSA-N 1 3 336.440 -0.285 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176992498 832727499 /nfs/dbraw/zinc/72/74/99/832727499.db2.gz ROFNIFZLIKCOLG-CYBMUJFWSA-N 1 3 339.440 -0.492 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178716492 832903208 /nfs/dbraw/zinc/90/32/08/832903208.db2.gz QJVPQVXMOSAXSW-UHTWSYAYSA-N 1 3 337.424 -0.898 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178716491 832903991 /nfs/dbraw/zinc/90/39/91/832903991.db2.gz QJVPQVXMOSAXSW-DRZSPHRISA-N 1 3 337.424 -0.898 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178731552 832906118 /nfs/dbraw/zinc/90/61/18/832906118.db2.gz XIDKUJSUSBYMER-RQJABVFESA-N 1 3 331.482 -0.050 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)[C@@H]2C)CC[N@H+]1C ZINC001178731552 832906121 /nfs/dbraw/zinc/90/61/21/832906121.db2.gz XIDKUJSUSBYMER-RQJABVFESA-N 1 3 331.482 -0.050 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902234 832928491 /nfs/dbraw/zinc/92/84/91/832928491.db2.gz GOBISWLZIHVMNI-AAEUAGOBSA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549918 832988390 /nfs/dbraw/zinc/98/83/90/832988390.db2.gz MJKLEBKQWGOFJC-RYUDHWBXSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187106421 833901469 /nfs/dbraw/zinc/90/14/69/833901469.db2.gz GTXFIUDDRHZREN-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001187291185 833915629 /nfs/dbraw/zinc/91/56/29/833915629.db2.gz MDLYUMZURDNQQE-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001187290878 833915903 /nfs/dbraw/zinc/91/59/03/833915903.db2.gz ARLKZHJYINTYQP-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)C1 ZINC001187284290 833916017 /nfs/dbraw/zinc/91/60/17/833916017.db2.gz NVNDDUQAOHOQOV-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843172 833973331 /nfs/dbraw/zinc/97/33/31/833973331.db2.gz WFCUUFJAAZOYCM-HUUCEWRRSA-N 1 3 329.441 -0.703 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001188158733 834017424 /nfs/dbraw/zinc/01/74/24/834017424.db2.gz WRTBZJKRCZKORG-HUUCEWRRSA-N 1 3 340.468 -0.236 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192020112 834594266 /nfs/dbraw/zinc/59/42/66/834594266.db2.gz ZGZQQWPQIKXYON-CQSZACIVSA-N 1 3 337.468 -0.114 20 0 EBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024370 834782351 /nfs/dbraw/zinc/78/23/51/834782351.db2.gz OCNSFMKJJFYCHY-BZUAXINKSA-N 1 3 325.453 -0.084 20 0 EBADHO CN1CCN(c2cncc(C(=O)N(CCCC[NH3+])C(=N)N)c2)CC1 ZINC001193947291 834985660 /nfs/dbraw/zinc/98/56/60/834985660.db2.gz KGNCIXUDNWOUQH-UHFFFAOYSA-N 1 3 333.440 -0.092 20 0 EBADHO CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001329 834993325 /nfs/dbraw/zinc/99/33/25/834993325.db2.gz GXZSXFZMNKKNEY-CVEARBPZSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001329 834993330 /nfs/dbraw/zinc/99/33/30/834993330.db2.gz GXZSXFZMNKKNEY-CVEARBPZSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040793 835005223 /nfs/dbraw/zinc/00/52/23/835005223.db2.gz SJPNBLVDVUUJRC-JKSUJKDBSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040793 835005232 /nfs/dbraw/zinc/00/52/32/835005232.db2.gz SJPNBLVDVUUJRC-JKSUJKDBSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOC[C@@H](O)CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048325 835498694 /nfs/dbraw/zinc/49/86/94/835498694.db2.gz DTIDAVDDJGRTHG-HNNXBMFYSA-N 1 3 331.457 -0.504 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788433 835861316 /nfs/dbraw/zinc/86/13/16/835861316.db2.gz QAHXSKYFRWOEFH-GFCCVEGCSA-N 1 3 325.413 -0.883 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001199826413 835866923 /nfs/dbraw/zinc/86/69/23/835866923.db2.gz KOMXDRKUDQMBMR-CVEARBPZSA-N 1 3 335.452 -0.081 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529506 835980467 /nfs/dbraw/zinc/98/04/67/835980467.db2.gz WGCLBJXKNNUICD-CABCVRRESA-N 1 3 338.452 -0.719 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200628048 835997631 /nfs/dbraw/zinc/99/76/31/835997631.db2.gz QUNVNEAABXSONV-ZIAGYGMSSA-N 1 3 346.447 -0.381 20 0 EBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200658224 836009803 /nfs/dbraw/zinc/00/98/03/836009803.db2.gz IPTYENLFLQOQOH-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687709 836016119 /nfs/dbraw/zinc/01/61/19/836016119.db2.gz GCPNHOSLHIVBJN-UONOGXRCSA-N 1 3 340.468 -0.058 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200722380 836022462 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841838944 /nfs/dbraw/zinc/83/89/44/841838944.db2.gz DDWJDYRYQQXRJZ-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(CCOCCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001333266198 841838951 /nfs/dbraw/zinc/83/89/51/841838951.db2.gz DDWJDYRYQQXRJZ-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001333961370 841976022 /nfs/dbraw/zinc/97/60/22/841976022.db2.gz UWEFYCOWXJPRHA-KBPBESRZSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@H](CNC(=O)NCCN1CCC([NH3+])CC1)CN1CCN(C)CC1 ZINC001336830709 842548347 /nfs/dbraw/zinc/54/83/47/842548347.db2.gz UMBFVVCFJSECFY-OAHLLOKOSA-N 1 3 340.516 -0.408 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340955776 843047148 /nfs/dbraw/zinc/04/71/48/843047148.db2.gz DDZMVYDPBBEFSX-HUUCEWRRSA-N 1 3 340.468 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001343454627 843238315 /nfs/dbraw/zinc/23/83/15/843238315.db2.gz ZKGMFRTUZSIFFR-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001345197056 843373543 /nfs/dbraw/zinc/37/35/43/843373543.db2.gz GKHUTUDQERUYAI-MJBXVCDLSA-N 1 3 338.452 -0.088 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001345197056 843373550 /nfs/dbraw/zinc/37/35/50/843373550.db2.gz GKHUTUDQERUYAI-MJBXVCDLSA-N 1 3 338.452 -0.088 20 0 EBADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001345983461 843469123 /nfs/dbraw/zinc/46/91/23/843469123.db2.gz WHRQEGGLFPJVOL-BYNSBNAKSA-N 1 3 336.436 -0.635 20 0 EBADHO C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]1CN(C)CCN1C ZINC001346766426 843549675 /nfs/dbraw/zinc/54/96/75/843549675.db2.gz INFQVVPAFRLGKL-CVEARBPZSA-N 1 3 342.532 -0.197 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1CCCN1C(=O)CNC1=O ZINC001481055359 1125914529 /nfs/dbraw/zinc/91/45/29/1125914529.db2.gz DNTKPYZLDSXTLT-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CCS(=O)(=O)NCCNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230630 1125948570 /nfs/dbraw/zinc/94/85/70/1125948570.db2.gz BJGLMXOGDSPAHT-CQSZACIVSA-N 1 3 346.497 -0.685 20 0 EBADHO CN(CCNCCS(C)(=O)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001481298307 1125968542 /nfs/dbraw/zinc/96/85/42/1125968542.db2.gz JKZJUEBXVQKBQE-UHFFFAOYSA-N 1 3 335.470 -0.810 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001671255837 1125995350 /nfs/dbraw/zinc/99/53/50/1125995350.db2.gz AEHMBTIKWLZYSZ-KGLIPLIRSA-N 1 3 348.513 -0.155 20 0 EBADHO C[C@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC001648975996 1126206086 /nfs/dbraw/zinc/20/60/86/1126206086.db2.gz FWIQBRIUHVWUAA-CQSZACIVSA-N 1 3 337.468 -0.115 20 0 EBADHO CC(C)CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482730922 1126262039 /nfs/dbraw/zinc/26/20/39/1126262039.db2.gz JPJANTUUAFAUNB-HZSPNIEDSA-N 1 3 328.457 -0.835 20 0 EBADHO CC(C)CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482730922 1126262040 /nfs/dbraw/zinc/26/20/40/1126262040.db2.gz JPJANTUUAFAUNB-HZSPNIEDSA-N 1 3 328.457 -0.835 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482738370 1126272390 /nfs/dbraw/zinc/27/23/90/1126272390.db2.gz FCBQXZRUMGYCKM-KBPBESRZSA-N 1 3 326.441 -0.840 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482738370 1126272391 /nfs/dbraw/zinc/27/23/91/1126272391.db2.gz FCBQXZRUMGYCKM-KBPBESRZSA-N 1 3 326.441 -0.840 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1)CC(C)(C)C ZINC001482769101 1126283278 /nfs/dbraw/zinc/28/32/78/1126283278.db2.gz GFELSGLFAPWCOM-CQSZACIVSA-N 1 3 325.457 -0.035 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482888385 1126300731 /nfs/dbraw/zinc/30/07/31/1126300731.db2.gz KCYCDSXCFSUWKI-YPMHNXCESA-N 1 3 329.445 -0.487 20 0 EBADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001482959279 1126306995 /nfs/dbraw/zinc/30/69/95/1126306995.db2.gz ADADQOIMRNSELT-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483008893 1126312124 /nfs/dbraw/zinc/31/21/24/1126312124.db2.gz PGYPXCJWWWBNQR-DACWGTRXSA-N 1 3 336.436 -0.216 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483008893 1126312127 /nfs/dbraw/zinc/31/21/27/1126312127.db2.gz PGYPXCJWWWBNQR-DACWGTRXSA-N 1 3 336.436 -0.216 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001409265561 1126324246 /nfs/dbraw/zinc/32/42/46/1126324246.db2.gz PZMQEVRIVQFMIW-UHFFFAOYSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N2CCOCC2)C1 ZINC001483059619 1126327209 /nfs/dbraw/zinc/32/72/09/1126327209.db2.gz VLIVJEUDNGGJQA-FAAWYNLUSA-N 1 3 338.452 -0.551 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N2CCOCC2)C1 ZINC001483059619 1126327210 /nfs/dbraw/zinc/32/72/10/1126327210.db2.gz VLIVJEUDNGGJQA-FAAWYNLUSA-N 1 3 338.452 -0.551 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001483163051 1126349032 /nfs/dbraw/zinc/34/90/32/1126349032.db2.gz WIQAEKKLUKNHBZ-LLVKDONJSA-N 1 3 339.440 -0.589 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001483185697 1126351352 /nfs/dbraw/zinc/35/13/52/1126351352.db2.gz RNUAEUNDAQLTPH-GFCCVEGCSA-N 1 3 339.440 -0.980 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360184 1126358110 /nfs/dbraw/zinc/35/81/10/1126358110.db2.gz JOUIIYGBEDYBGG-RYUDHWBXSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360135 1126358161 /nfs/dbraw/zinc/35/81/61/1126358161.db2.gz JOUIIYGBEDYBGG-NEPJUHHUSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(=O)NC(N)=O ZINC001409485613 1126370475 /nfs/dbraw/zinc/37/04/75/1126370475.db2.gz OSCBYWOJGMGSMX-SNVBAGLBSA-N 1 3 338.412 -0.390 20 0 EBADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(=O)NC(N)=O ZINC001409485610 1126370551 /nfs/dbraw/zinc/37/05/51/1126370551.db2.gz OSCBYWOJGMGSMX-JTQLQIEISA-N 1 3 338.412 -0.390 20 0 EBADHO C[C@@H](CNCC(=O)NCc1cccnc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284119 1126413438 /nfs/dbraw/zinc/41/34/38/1126413438.db2.gz AVMBBTNPDUNHCO-AWEZNQCLSA-N 1 3 345.447 -0.112 20 0 EBADHO C[C@@H](CNCC(=O)NC[C@H]1CCOC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284117 1126413641 /nfs/dbraw/zinc/41/36/41/1126413641.db2.gz ASZHNABGTSULTP-UONOGXRCSA-N 1 3 338.452 -0.671 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001483471329 1126429609 /nfs/dbraw/zinc/42/96/09/1126429609.db2.gz YHINDMJGSQKGNK-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339636 1126564135 /nfs/dbraw/zinc/56/41/35/1126564135.db2.gz YTWSYRLPVYYGTG-NEPJUHHUSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484355540 1126565139 /nfs/dbraw/zinc/56/51/39/1126565139.db2.gz HIJGKWLIPJQLGC-NEPJUHHUSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699297 1126622659 /nfs/dbraw/zinc/62/26/59/1126622659.db2.gz OEALIENQWWQULG-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699297 1126622661 /nfs/dbraw/zinc/62/26/61/1126622661.db2.gz OEALIENQWWQULG-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001484695392 1126624369 /nfs/dbraw/zinc/62/43/69/1126624369.db2.gz CWRZRAARZOZMPR-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001484695220 1126624410 /nfs/dbraw/zinc/62/44/10/1126624410.db2.gz AOSSYEGRGNJIEV-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001484695399 1126624523 /nfs/dbraw/zinc/62/45/23/1126624523.db2.gz CWRZRAARZOZMPR-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485102867 1126673988 /nfs/dbraw/zinc/67/39/88/1126673988.db2.gz VKNGNHKBIOZEGF-IYXRBSQSSA-N 1 3 346.497 -0.638 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCCS(C)(=O)=O)C1 ZINC001485645390 1126788936 /nfs/dbraw/zinc/78/89/36/1126788936.db2.gz FISJPTOFQPXGRS-KGLIPLIRSA-N 1 3 349.497 -0.422 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCCS(C)(=O)=O)C1 ZINC001485645390 1126788940 /nfs/dbraw/zinc/78/89/40/1126788940.db2.gz FISJPTOFQPXGRS-KGLIPLIRSA-N 1 3 349.497 -0.422 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001485673876 1126796358 /nfs/dbraw/zinc/79/63/58/1126796358.db2.gz SJGNFJMPMPLPOJ-CQSZACIVSA-N 1 3 340.468 -0.201 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@H]21 ZINC001649048068 1126865113 /nfs/dbraw/zinc/86/51/13/1126865113.db2.gz LOKQMAOHJKJJDG-COMQUAJESA-N 1 3 327.450 -0.827 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001493586631 1126880136 /nfs/dbraw/zinc/88/01/36/1126880136.db2.gz ZIRWDDHQQLLGMC-HOCLYGCPSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H]1CCNC1=O ZINC001485875734 1126904497 /nfs/dbraw/zinc/90/44/97/1126904497.db2.gz BJAIRJXGCICTFK-QWHCGFSZSA-N 1 3 336.440 -0.617 20 0 EBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCCNS(C)(=O)=O ZINC001485918537 1126915510 /nfs/dbraw/zinc/91/55/10/1126915510.db2.gz GULLQIMAYMOKNW-GFCCVEGCSA-N 1 3 334.486 -0.686 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125797 1127035433 /nfs/dbraw/zinc/03/54/33/1127035433.db2.gz BSJUUDKQROWJAG-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486125797 1127035435 /nfs/dbraw/zinc/03/54/35/1127035435.db2.gz BSJUUDKQROWJAG-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131080 1127043081 /nfs/dbraw/zinc/04/30/81/1127043081.db2.gz POXNNUJEYNXQKC-CHWSQXEVSA-N 1 3 326.441 -0.578 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280843 1127077398 /nfs/dbraw/zinc/07/73/98/1127077398.db2.gz JQAITBOSOXGIKC-GJZGRUSLSA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001486280843 1127077400 /nfs/dbraw/zinc/07/74/00/1127077400.db2.gz JQAITBOSOXGIKC-GJZGRUSLSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001486304080 1127108804 /nfs/dbraw/zinc/10/88/04/1127108804.db2.gz YHEUJXDDTUXYPM-GJZGRUSLSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001486304080 1127108806 /nfs/dbraw/zinc/10/88/06/1127108806.db2.gz YHEUJXDDTUXYPM-GJZGRUSLSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304080 1127108808 /nfs/dbraw/zinc/10/88/08/1127108808.db2.gz YHEUJXDDTUXYPM-GJZGRUSLSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001486316868 1127118915 /nfs/dbraw/zinc/11/89/15/1127118915.db2.gz ADBNHPHZCHPNNG-KBPBESRZSA-N 1 3 338.456 -0.486 20 0 EBADHO CC(C)c1nc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001486317340 1127119737 /nfs/dbraw/zinc/11/97/37/1127119737.db2.gz NUICZIDBTVOCTD-QWHCGFSZSA-N 1 3 338.456 -0.211 20 0 EBADHO CC(C)c1nc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001486317340 1127119739 /nfs/dbraw/zinc/11/97/39/1127119739.db2.gz NUICZIDBTVOCTD-QWHCGFSZSA-N 1 3 338.456 -0.211 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001410141450 1127611820 /nfs/dbraw/zinc/61/18/20/1127611820.db2.gz USYFHLBRDLIABU-AWEZNQCLSA-N 1 3 342.484 -0.206 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001410372203 1127692095 /nfs/dbraw/zinc/69/20/95/1127692095.db2.gz FTVOLSINFBTSHC-GRYCIOLGSA-N 1 3 327.429 -0.652 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)CC[N@H+]1C ZINC001410372203 1127692096 /nfs/dbraw/zinc/69/20/96/1127692096.db2.gz FTVOLSINFBTSHC-GRYCIOLGSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC(N)=O ZINC001410496126 1127729097 /nfs/dbraw/zinc/72/90/97/1127729097.db2.gz CNNLMLLIFRGGRI-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@H](CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001410740877 1127854556 /nfs/dbraw/zinc/85/45/56/1127854556.db2.gz XZIBRRWULGYJRF-OCCSQVGLSA-N 1 3 349.497 -0.924 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001410958248 1127952512 /nfs/dbraw/zinc/95/25/12/1127952512.db2.gz PJUFMFYKZOLWSQ-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001410998209 1127967282 /nfs/dbraw/zinc/96/72/82/1127967282.db2.gz APPCQCKKKKWGAJ-GXSJLCMTSA-N 1 3 347.341 -0.075 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C(F)(F)F ZINC001410998262 1127967443 /nfs/dbraw/zinc/96/74/43/1127967443.db2.gz APPCQCKKKKWGAJ-ONGXEEELSA-N 1 3 347.341 -0.075 20 0 EBADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001411051226 1127988151 /nfs/dbraw/zinc/98/81/51/1127988151.db2.gz ZZMAFRQKWWHIIN-GXTWGEPZSA-N 1 3 340.468 -0.453 20 0 EBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001411095501 1128013852 /nfs/dbraw/zinc/01/38/52/1128013852.db2.gz LADQFTHRUPVQJE-ABAIWWIYSA-N 1 3 332.420 -0.907 20 0 EBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001411095501 1128013854 /nfs/dbraw/zinc/01/38/54/1128013854.db2.gz LADQFTHRUPVQJE-ABAIWWIYSA-N 1 3 332.420 -0.907 20 0 EBADHO CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001411101895 1128016467 /nfs/dbraw/zinc/01/64/67/1128016467.db2.gz SFNIZIJVSWWYDB-STQMWFEESA-N 1 3 326.441 -0.842 20 0 EBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001411156267 1128049075 /nfs/dbraw/zinc/04/90/75/1128049075.db2.gz WZKNQFRYSUMIFN-KGLIPLIRSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001411277447 1128113918 /nfs/dbraw/zinc/11/39/18/1128113918.db2.gz KSWNSEYIUYZNGY-UHFFFAOYSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@]12CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CCO)C2 ZINC001091867844 1128162163 /nfs/dbraw/zinc/16/21/63/1128162163.db2.gz CKWWSGFHGPMVGC-HNJNVOIISA-N 1 3 335.448 -0.378 20 0 EBADHO C[C@]12CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091867844 1128162166 /nfs/dbraw/zinc/16/21/66/1128162166.db2.gz CKWWSGFHGPMVGC-HNJNVOIISA-N 1 3 335.448 -0.378 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835150 1128356098 /nfs/dbraw/zinc/35/60/98/1128356098.db2.gz OGESERQCCUIADY-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001488051126 1128550145 /nfs/dbraw/zinc/55/01/45/1128550145.db2.gz XQXALJYFNDFEHK-ZDUSSCGKSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001488370092 1128707989 /nfs/dbraw/zinc/70/79/89/1128707989.db2.gz NJZANNAMUZFQAI-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001488370092 1128707991 /nfs/dbraw/zinc/70/79/91/1128707991.db2.gz NJZANNAMUZFQAI-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001489348845 1128963679 /nfs/dbraw/zinc/96/36/79/1128963679.db2.gz OILULQQQTJNSNT-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001489348845 1128963680 /nfs/dbraw/zinc/96/36/80/1128963680.db2.gz OILULQQQTJNSNT-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@@H](NCC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490308681 1129163419 /nfs/dbraw/zinc/16/34/19/1129163419.db2.gz VWPAFJNQQQQQFQ-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O)N(C)C ZINC001414052962 1131360301 /nfs/dbraw/zinc/36/03/01/1131360301.db2.gz DCDXUXPXCGYXKH-KFWWJZLASA-N 1 3 340.468 -0.644 20 0 EBADHO CCOC(=O)C[C@@H](O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001411712276 1129354217 /nfs/dbraw/zinc/35/42/17/1129354217.db2.gz AXONOLXEMIVQFB-OAHLLOKOSA-N 1 3 341.452 -0.025 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1CCOCCO ZINC001691737050 1129691329 /nfs/dbraw/zinc/69/13/29/1129691329.db2.gz DKIVRORTFSHHKP-ZBFHGGJFSA-N 1 3 343.468 -0.315 20 0 EBADHO COC(=O)CNC(=O)CCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414069937 1130697886 /nfs/dbraw/zinc/69/78/86/1130697886.db2.gz WAUURBIBUJFPPF-UHFFFAOYSA-N 1 3 341.452 -0.022 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3cnc(C(N)=O)n3)CC2)CC1 ZINC001361960486 1131488968 /nfs/dbraw/zinc/48/89/68/1131488968.db2.gz ITTCYNWYTLCKGJ-UHFFFAOYSA-N 1 3 349.439 -0.948 20 0 EBADHO CNS(=O)(=O)N1CCN(CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC001363794256 1132089891 /nfs/dbraw/zinc/08/98/91/1132089891.db2.gz HYTHFJDWHXHPJB-UHFFFAOYSA-N 1 3 347.529 -0.516 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001364448718 1132320326 /nfs/dbraw/zinc/32/03/26/1132320326.db2.gz LDMUMEKVDWGACK-BFHYXJOUSA-N 1 3 331.482 -0.381 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001365822450 1132819323 /nfs/dbraw/zinc/81/93/23/1132819323.db2.gz UNNWVOQIPSLPRE-BETUJISGSA-N 1 3 331.482 -0.143 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001365823299 1132819399 /nfs/dbraw/zinc/81/93/99/1132819399.db2.gz VPJMUSZZCDVDFX-KFWWJZLASA-N 1 3 337.468 -0.162 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O ZINC001365861206 1132837427 /nfs/dbraw/zinc/83/74/27/1132837427.db2.gz JVIXFVANOKKLHO-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O ZINC001365861206 1132837432 /nfs/dbraw/zinc/83/74/32/1132837432.db2.gz JVIXFVANOKKLHO-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO C[C@@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001365870730 1132848825 /nfs/dbraw/zinc/84/88/25/1132848825.db2.gz GTEYSNWVOOLJEW-LLVKDONJSA-N 1 3 335.408 -0.635 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926601 1132889732 /nfs/dbraw/zinc/88/97/32/1132889732.db2.gz JZTYUWVHZDGBSA-OLZOCXBDSA-N 1 3 341.456 -0.119 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001366097130 1133002195 /nfs/dbraw/zinc/00/21/95/1133002195.db2.gz GHHMVIJUWPBRME-LBPRGKRZSA-N 1 3 325.413 -0.896 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366109919 1133010249 /nfs/dbraw/zinc/01/02/49/1133010249.db2.gz BSKCZNMSSBBNHF-DCAQKATOSA-N 1 3 331.392 -0.902 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366112158 1133011226 /nfs/dbraw/zinc/01/12/26/1133011226.db2.gz KDTAZROZDXASEK-KKOKHZNYSA-N 1 3 345.419 -0.514 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CNCC(=O)NC(N)=O)CC1 ZINC001366215494 1133059777 /nfs/dbraw/zinc/05/97/77/1133059777.db2.gz GOKTVNBNRWPNLT-GFCCVEGCSA-N 1 3 339.440 -0.506 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)N(C)C ZINC001366238203 1133070140 /nfs/dbraw/zinc/07/01/40/1133070140.db2.gz YHZOEHLIVSACSO-FIDHJVLJSA-N 1 3 349.479 -0.123 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)N(C)C ZINC001366238203 1133070146 /nfs/dbraw/zinc/07/01/46/1133070146.db2.gz YHZOEHLIVSACSO-FIDHJVLJSA-N 1 3 349.479 -0.123 20 0 EBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001366289608 1133086919 /nfs/dbraw/zinc/08/69/19/1133086919.db2.gz SLSJALXIWKLBJO-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336595 1133103407 /nfs/dbraw/zinc/10/34/07/1133103407.db2.gz OHZVQJHNJCAYJG-BONVTDFDSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336595 1133103411 /nfs/dbraw/zinc/10/34/11/1133103411.db2.gz OHZVQJHNJCAYJG-BONVTDFDSA-N 1 3 345.419 -0.512 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001366370856 1133115783 /nfs/dbraw/zinc/11/57/83/1133115783.db2.gz YDQWKPQZSAPUKE-TZMCWYRMSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366388351 1133125082 /nfs/dbraw/zinc/12/50/82/1133125082.db2.gz ANUAGVOLMAHHQB-RYUDHWBXSA-N 1 3 325.413 -0.883 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001366394722 1133128397 /nfs/dbraw/zinc/12/83/97/1133128397.db2.gz YCQCSSYZNIHFMM-ZDUSSCGKSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001366394722 1133128401 /nfs/dbraw/zinc/12/84/01/1133128401.db2.gz YCQCSSYZNIHFMM-ZDUSSCGKSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482461 1133156556 /nfs/dbraw/zinc/15/65/56/1133156556.db2.gz FYYASTAYMAQZEZ-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001366769667 1133290530 /nfs/dbraw/zinc/29/05/30/1133290530.db2.gz LORVRNZJMZLNHA-QJPTWQEYSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001366769667 1133290532 /nfs/dbraw/zinc/29/05/32/1133290532.db2.gz LORVRNZJMZLNHA-QJPTWQEYSA-N 1 3 327.429 -0.781 20 0 EBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366899172 1133351311 /nfs/dbraw/zinc/35/13/11/1133351311.db2.gz ZSSYWYDEVCTDMV-HRCADAONSA-N 1 3 325.453 -0.084 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001367203867 1133500461 /nfs/dbraw/zinc/50/04/61/1133500461.db2.gz WPSNGWCBXWSTOS-AVGNSLFASA-N 1 3 339.440 -0.460 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001367221421 1133505861 /nfs/dbraw/zinc/50/58/61/1133505861.db2.gz IPOCHTJXGGSUNW-RWMBFGLXSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001367221421 1133505864 /nfs/dbraw/zinc/50/58/64/1133505864.db2.gz IPOCHTJXGGSUNW-RWMBFGLXSA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001367249423 1133515693 /nfs/dbraw/zinc/51/56/93/1133515693.db2.gz RSCYUUYARFNBSH-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001367376869 1133570448 /nfs/dbraw/zinc/57/04/48/1133570448.db2.gz NXFKDIKNBCNBCP-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001367397415 1133577320 /nfs/dbraw/zinc/57/73/20/1133577320.db2.gz PELODQTVGPICTN-STQMWFEESA-N 1 3 341.456 -0.262 20 0 EBADHO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)CN1CCCC1 ZINC001367408963 1133581616 /nfs/dbraw/zinc/58/16/16/1133581616.db2.gz VVVIRYBEYIZOET-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001367594181 1133667416 /nfs/dbraw/zinc/66/74/16/1133667416.db2.gz XJBAJGHACZTOLV-MELADBBJSA-N 1 3 326.441 -0.938 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001367594181 1133667420 /nfs/dbraw/zinc/66/74/20/1133667420.db2.gz XJBAJGHACZTOLV-MELADBBJSA-N 1 3 326.441 -0.938 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCC(=O)N1CCCCCC1 ZINC001367607279 1133686869 /nfs/dbraw/zinc/68/68/69/1133686869.db2.gz XQSMGVVFHWMCOW-AWEZNQCLSA-N 1 3 328.457 -0.593 20 0 EBADHO CCN1CC[C@@H](NC[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609369 1133689591 /nfs/dbraw/zinc/68/95/91/1133689591.db2.gz QOOUVSJUWPEERO-ZIAGYGMSSA-N 1 3 338.452 -0.698 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001367624741 1133711154 /nfs/dbraw/zinc/71/11/54/1133711154.db2.gz BYWSSBDZBKUEAY-KGLIPLIRSA-N 1 3 326.441 -0.792 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367998583 1133886979 /nfs/dbraw/zinc/88/69/79/1133886979.db2.gz UXPSXTKEMIDDLN-RYUDHWBXSA-N 1 3 339.440 -0.319 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367998583 1133886985 /nfs/dbraw/zinc/88/69/85/1133886985.db2.gz UXPSXTKEMIDDLN-RYUDHWBXSA-N 1 3 339.440 -0.319 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368100109 1133937352 /nfs/dbraw/zinc/93/73/52/1133937352.db2.gz AOEISGNMORJUTJ-FRRDWIJNSA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001368100109 1133937356 /nfs/dbraw/zinc/93/73/56/1133937356.db2.gz AOEISGNMORJUTJ-FRRDWIJNSA-N 1 3 339.440 -0.637 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1)N(C)C ZINC001368235441 1134002714 /nfs/dbraw/zinc/00/27/14/1134002714.db2.gz FLTJVEDSRFIYFT-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCc2cnn(C)c2)C1)C1CCC1 ZINC001368253510 1134034981 /nfs/dbraw/zinc/03/49/81/1134034981.db2.gz SRIKSHCCOWELRB-SFHVURJKSA-N 1 3 349.479 0.000 20 0 EBADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCc2cnn(C)c2)C1)C1CCC1 ZINC001368253510 1134034988 /nfs/dbraw/zinc/03/49/88/1134034988.db2.gz SRIKSHCCOWELRB-SFHVURJKSA-N 1 3 349.479 0.000 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@]2(O)CCN(CCn3cncn3)C2)CC1 ZINC001368254054 1134036621 /nfs/dbraw/zinc/03/66/21/1134036621.db2.gz AIGACPUFURPRTJ-MRXNPFEDSA-N 1 3 336.440 -0.827 20 0 EBADHO CN1CCC[C@H](NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001368413636 1134212987 /nfs/dbraw/zinc/21/29/87/1134212987.db2.gz SBCOFWAWKLKDBN-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CN1CCC[C@H](NCCN(CCO)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001368413636 1134212989 /nfs/dbraw/zinc/21/29/89/1134212989.db2.gz SBCOFWAWKLKDBN-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001368514592 1134266757 /nfs/dbraw/zinc/26/67/57/1134266757.db2.gz NUDAZQCXLQDRQB-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001368532798 1134278359 /nfs/dbraw/zinc/27/83/59/1134278359.db2.gz KUZPGQCPRLHXBJ-LSDHHAIUSA-N 1 3 348.407 -0.973 20 0 EBADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCCS(C)(=O)=O ZINC001368651917 1134355687 /nfs/dbraw/zinc/35/56/87/1134355687.db2.gz FQUKLPSXJCXEAL-STQMWFEESA-N 1 3 329.466 -0.437 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001368684738 1134384159 /nfs/dbraw/zinc/38/41/59/1134384159.db2.gz GTDPZNFRCBFUQN-UONOGXRCSA-N 1 3 338.452 -0.568 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001368684738 1134384166 /nfs/dbraw/zinc/38/41/66/1134384166.db2.gz GTDPZNFRCBFUQN-UONOGXRCSA-N 1 3 338.452 -0.568 20 0 EBADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001368718427 1134405389 /nfs/dbraw/zinc/40/53/89/1134405389.db2.gz PRMGBSPBIBTTNA-WDEREUQCSA-N 1 3 327.429 -0.462 20 0 EBADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)NC(=O)NC1CC1 ZINC001368861013 1134467278 /nfs/dbraw/zinc/46/72/78/1134467278.db2.gz HAPPTBMQICHNGT-WDEREUQCSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001368889181 1134476302 /nfs/dbraw/zinc/47/63/02/1134476302.db2.gz NVUZMVUKJFAMNM-CHWSQXEVSA-N 1 3 328.457 -0.332 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158407 1134599339 /nfs/dbraw/zinc/59/93/39/1134599339.db2.gz JGKQQNGYNPBYIO-KGLIPLIRSA-N 1 3 338.452 -0.447 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C(C)(C)C1)N(C)C ZINC001369435631 1134777852 /nfs/dbraw/zinc/77/78/52/1134777852.db2.gz HDVNYRJXKLLQAL-RYUDHWBXSA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472750 1134829084 /nfs/dbraw/zinc/82/90/84/1134829084.db2.gz LDGJKHHMOLPKJH-CHWSQXEVSA-N 1 3 326.441 -0.842 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001370545025 1135402989 /nfs/dbraw/zinc/40/29/89/1135402989.db2.gz DJNJOWQAMFNUFG-DDHJBXDOSA-N 1 3 327.429 -0.607 20 0 EBADHO C[C@@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CS(C)(=O)=O ZINC001371536167 1135959667 /nfs/dbraw/zinc/95/96/67/1135959667.db2.gz XEFBKVBYANRXDZ-RYUDHWBXSA-N 1 3 328.438 -0.177 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC1 ZINC001371842519 1136033309 /nfs/dbraw/zinc/03/33/09/1136033309.db2.gz HMPCJPKLIPKLGX-KGLIPLIRSA-N 1 3 349.435 -0.628 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001372218571 1136142460 /nfs/dbraw/zinc/14/24/60/1136142460.db2.gz GQBCNTZDHSDJOL-HNNXBMFYSA-N 1 3 339.484 -0.707 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)COC1CCOCC1 ZINC001372223701 1136145382 /nfs/dbraw/zinc/14/53/82/1136145382.db2.gz KFABSXPNHTUCLJ-LSDHHAIUSA-N 1 3 343.468 -0.457 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)COC1CCOCC1 ZINC001372223701 1136145385 /nfs/dbraw/zinc/14/53/85/1136145385.db2.gz KFABSXPNHTUCLJ-LSDHHAIUSA-N 1 3 343.468 -0.457 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001372937614 1136331743 /nfs/dbraw/zinc/33/17/43/1136331743.db2.gz IWRSSPXQRZXMSW-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001372937614 1136331745 /nfs/dbraw/zinc/33/17/45/1136331745.db2.gz IWRSSPXQRZXMSW-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001373356866 1136434039 /nfs/dbraw/zinc/43/40/39/1136434039.db2.gz RXDACBDHRFYRPI-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805651 1136564119 /nfs/dbraw/zinc/56/41/19/1136564119.db2.gz JKJPRHZSBSBEJV-OLZOCXBDSA-N 1 3 341.456 -0.071 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805656 1136564221 /nfs/dbraw/zinc/56/42/21/1136564221.db2.gz JKJPRHZSBSBEJV-STQMWFEESA-N 1 3 341.456 -0.071 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001374323540 1136673543 /nfs/dbraw/zinc/67/35/43/1136673543.db2.gz CPJBRJUYZCGBQM-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C1CCC1 ZINC001374617352 1136751570 /nfs/dbraw/zinc/75/15/70/1136751570.db2.gz UIXOOAFEZQBBET-KGLIPLIRSA-N 1 3 336.440 -0.684 20 0 EBADHO CNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001374619292 1136753635 /nfs/dbraw/zinc/75/36/35/1136753635.db2.gz QFRBWNVPLQESBA-ZDUSSCGKSA-N 1 3 328.457 -0.548 20 0 EBADHO CNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001374619292 1136753639 /nfs/dbraw/zinc/75/36/39/1136753639.db2.gz QFRBWNVPLQESBA-ZDUSSCGKSA-N 1 3 328.457 -0.548 20 0 EBADHO CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N2CCCC2)C1=O ZINC001374635118 1136765141 /nfs/dbraw/zinc/76/51/41/1136765141.db2.gz VIVUUHAONKAGPW-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO CCC(C)(C)NC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374667125 1136787548 /nfs/dbraw/zinc/78/75/48/1136787548.db2.gz ATRJMNYRFVEDQN-CYBMUJFWSA-N 1 3 340.468 -0.546 20 0 EBADHO CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374706452 1136808844 /nfs/dbraw/zinc/80/88/44/1136808844.db2.gz WLSSGUGLPCNZRM-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001374706452 1136808847 /nfs/dbraw/zinc/80/88/47/1136808847.db2.gz WLSSGUGLPCNZRM-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)N(C)C ZINC001374835350 1136846221 /nfs/dbraw/zinc/84/62/21/1136846221.db2.gz SEWILKAFNOTWRO-YPMHNXCESA-N 1 3 339.440 -0.982 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001374981029 1136888384 /nfs/dbraw/zinc/88/83/84/1136888384.db2.gz FUBSWJRVRQYGAH-GXTWGEPZSA-N 1 3 341.456 -0.214 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001374982537 1136889239 /nfs/dbraw/zinc/88/92/39/1136889239.db2.gz SHVRRUSXWHPECA-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000643558754 375902200 /nfs/dbraw/zinc/90/22/00/375902200.db2.gz XLQGIJFCGIGTRP-IHRRRGAJSA-N 1 3 326.441 -0.498 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCSC1 ZINC000642768970 376087626 /nfs/dbraw/zinc/08/76/26/376087626.db2.gz XUMPNJGJADKEAN-IUODEOHRSA-N 1 3 328.482 -0.202 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768975 376087662 /nfs/dbraw/zinc/08/76/62/376087662.db2.gz YWPJEQPANZRWOC-HZPDHXFCSA-N 1 3 340.493 -0.248 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768974 376088174 /nfs/dbraw/zinc/08/81/74/376088174.db2.gz YWPJEQPANZRWOC-HOTGVXAUSA-N 1 3 340.493 -0.248 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CCO1 ZINC000642732127 376055993 /nfs/dbraw/zinc/05/59/93/376055993.db2.gz APHCACBUMWAHFH-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CCO1 ZINC000642732158 376056542 /nfs/dbraw/zinc/05/65/42/376056542.db2.gz JQDFAJOWAOIKKC-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCCCC1 ZINC000584043641 376061859 /nfs/dbraw/zinc/06/18/59/376061859.db2.gz ZQZKIFAFIUYFGU-CABCVRRESA-N 1 3 339.484 -0.532 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642744613 376064562 /nfs/dbraw/zinc/06/45/62/376064562.db2.gz ZZZKCMQLUNEOMM-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CCN1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000556795234 376141745 /nfs/dbraw/zinc/14/17/45/376141745.db2.gz CEEZAGDPJUDOQZ-UHFFFAOYSA-N 1 3 327.473 -0.898 20 0 EBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000566090502 376344680 /nfs/dbraw/zinc/34/46/80/376344680.db2.gz ILBLCWLEUZETQO-GJZGRUSLSA-N 1 3 341.500 -0.476 20 0 EBADHO CO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@H]1C ZINC000560637383 376755844 /nfs/dbraw/zinc/75/58/44/376755844.db2.gz AHZDJJMFZSQJGG-HUUCEWRRSA-N 1 3 342.484 -0.178 20 0 EBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000561256698 376823467 /nfs/dbraw/zinc/82/34/67/376823467.db2.gz BOXUJEIJKLVOOH-BETUJISGSA-N 1 3 338.452 -0.578 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561253285 376823719 /nfs/dbraw/zinc/82/37/19/376823719.db2.gz JLGQTILBDQIWKG-QGZVFWFLSA-N 1 3 340.468 -0.327 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](CN)C1 ZINC000561234631 376817684 /nfs/dbraw/zinc/81/76/84/376817684.db2.gz QLZATFJNXXWZHM-ZIAGYGMSSA-N 1 3 341.500 -0.430 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000635933482 377141685 /nfs/dbraw/zinc/14/16/85/377141685.db2.gz IIRIKXKEMOHBQD-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000635933482 377141690 /nfs/dbraw/zinc/14/16/90/377141690.db2.gz IIRIKXKEMOHBQD-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO [NH3+]CCCn1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)nn1 ZINC000580063536 377349464 /nfs/dbraw/zinc/34/94/64/377349464.db2.gz JVIJWXQHLXMACT-UHFFFAOYSA-N 1 3 330.396 -0.316 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371243 377475705 /nfs/dbraw/zinc/47/57/05/377475705.db2.gz YYCJTWJDCZRSGS-DOMZBBRYSA-N 1 3 340.493 -0.059 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000590817153 377679086 /nfs/dbraw/zinc/67/90/86/377679086.db2.gz JBYWKOMKRZECDR-UHFFFAOYSA-N 1 3 336.502 -0.344 20 0 EBADHO CN1CCC[C@@H](NC(=O)COCC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000591871151 377759498 /nfs/dbraw/zinc/75/94/98/377759498.db2.gz SIUDSQIFAKDWPQ-OKILXGFUSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H](NC(=O)COCC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000591871151 377759506 /nfs/dbraw/zinc/75/95/06/377759506.db2.gz SIUDSQIFAKDWPQ-OKILXGFUSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000591871151 377759510 /nfs/dbraw/zinc/75/95/10/377759510.db2.gz SIUDSQIFAKDWPQ-OKILXGFUSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000591871151 377759518 /nfs/dbraw/zinc/75/95/18/377759518.db2.gz SIUDSQIFAKDWPQ-OKILXGFUSA-N 1 3 326.441 -0.576 20 0 EBADHO COC(=O)[C@@H]1CNCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000592984467 377866008 /nfs/dbraw/zinc/86/60/08/377866008.db2.gz NHMSKXKXLMSXOZ-HNNXBMFYSA-N 1 3 340.468 -0.188 20 0 EBADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735938 377910812 /nfs/dbraw/zinc/91/08/12/377910812.db2.gz AIRMZZYNFWMMHF-BFHYXJOUSA-N 1 3 327.425 -0.116 20 0 EBADHO CCOC(=O)CNC(=O)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000595889932 378033286 /nfs/dbraw/zinc/03/32/86/378033286.db2.gz ADHGCJXTIAXKNL-CQSZACIVSA-N 1 3 339.436 -0.101 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000637129025 378499981 /nfs/dbraw/zinc/49/99/81/378499981.db2.gz DOXGZGZLMVLYEI-LSDHHAIUSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@H]1CN(CCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCCO1 ZINC000563593823 379047935 /nfs/dbraw/zinc/04/79/35/379047935.db2.gz ZAQRBFJCHVUHIF-LSDHHAIUSA-N 1 3 327.473 -0.228 20 0 EBADHO CN(CCOCC[NH3+])CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000629578101 379052932 /nfs/dbraw/zinc/05/29/32/379052932.db2.gz MHOPEGYVFHABRE-UHFFFAOYSA-N 1 3 336.440 -0.578 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000627297014 379142879 /nfs/dbraw/zinc/14/28/79/379142879.db2.gz ZNNDQCMTFNMZGG-INIZCTEOSA-N 1 3 348.447 -0.323 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000458443767 379221959 /nfs/dbraw/zinc/22/19/59/379221959.db2.gz UIGMMUXPGWPEDL-HUUCEWRRSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000458443767 379221968 /nfs/dbraw/zinc/22/19/68/379221968.db2.gz UIGMMUXPGWPEDL-HUUCEWRRSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N1CCC(C)CC1 ZINC000627332074 379341384 /nfs/dbraw/zinc/34/13/84/379341384.db2.gz PXORDAWTCGXERY-CQSZACIVSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@H](CNC(=O)NCCOCC[NH+](C)C)CN1CCN(C)CC1 ZINC000471655531 379377160 /nfs/dbraw/zinc/37/71/60/379377160.db2.gz WPOVHMLPXIZATA-OAHLLOKOSA-N 1 3 329.489 -0.253 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1CO ZINC000621815511 379355855 /nfs/dbraw/zinc/35/58/55/379355855.db2.gz IATDKJFCVUTJJS-HUUCEWRRSA-N 1 3 342.484 -0.585 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621844390 379367177 /nfs/dbraw/zinc/36/71/77/379367177.db2.gz QVHZVRWXIAIQDN-CZUORRHYSA-N 1 3 326.441 -0.589 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN[C@H]1C[C@@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801190 379473230 /nfs/dbraw/zinc/47/32/30/379473230.db2.gz AYPLDQRYPBCKMS-MNOVXSKESA-N 1 3 334.424 -0.461 20 0 EBADHO Nc1nc(N)nc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000624048716 379501719 /nfs/dbraw/zinc/50/17/19/379501719.db2.gz SOVYGZAZKWCJEG-STQMWFEESA-N 1 3 329.408 -0.586 20 0 EBADHO Nc1nc(N)nc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000624048716 379501705 /nfs/dbraw/zinc/50/17/05/379501705.db2.gz SOVYGZAZKWCJEG-STQMWFEESA-N 1 3 329.408 -0.586 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627392745 379578912 /nfs/dbraw/zinc/57/89/12/379578912.db2.gz DJECRCJJBYMRMV-GXTWGEPZSA-N 1 3 340.468 -0.141 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627398413 379580168 /nfs/dbraw/zinc/58/01/68/379580168.db2.gz MHDKDKVPNPZTRU-QLFBSQMISA-N 1 3 339.484 -0.757 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627398414 379581438 /nfs/dbraw/zinc/58/14/38/379581438.db2.gz MHDKDKVPNPZTRU-SOUVJXGZSA-N 1 3 339.484 -0.757 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000627430340 379594526 /nfs/dbraw/zinc/59/45/26/379594526.db2.gz UFPYMCCGSLIGJI-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCC[C@H](C)C1 ZINC000627455305 379606488 /nfs/dbraw/zinc/60/64/88/379606488.db2.gz RNSXBDMIYWLFSR-UONOGXRCSA-N 1 3 340.468 -0.153 20 0 EBADHO Cn1cc([C@@H]2CN(S(=O)(=O)CCCN3CCCC3)C[C@H]2[NH3+])cn1 ZINC000631946852 379789698 /nfs/dbraw/zinc/78/96/98/379789698.db2.gz LSRSAAAJTSNYSO-LSDHHAIUSA-N 1 3 341.481 -0.038 20 0 EBADHO COC[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCCN1 ZINC000637820338 379865987 /nfs/dbraw/zinc/86/59/87/379865987.db2.gz WQZSLLBQJCPIRS-XJKSGUPXSA-N 1 3 326.441 -0.541 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nc(N(C)C)n[nH]1 ZINC000637786353 379820856 /nfs/dbraw/zinc/82/08/56/379820856.db2.gz WOEMPYJLSBZQHS-UHFFFAOYSA-N 1 3 326.449 -0.495 20 0 EBADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)COC1)N(C)C ZINC000633917866 379978500 /nfs/dbraw/zinc/97/85/00/379978500.db2.gz XZOZCSIYWDYQJW-STQMWFEESA-N 1 3 328.457 -0.332 20 0 EBADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)COC1)N(C)C ZINC000633917866 379978505 /nfs/dbraw/zinc/97/85/05/379978505.db2.gz XZOZCSIYWDYQJW-STQMWFEESA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000633087637 379933209 /nfs/dbraw/zinc/93/32/09/379933209.db2.gz GLLWGRDDESSDQA-ZIAGYGMSSA-N 1 3 340.468 -0.391 20 0 EBADHO CN(C)[C@]1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCSC1 ZINC000354684188 380081388 /nfs/dbraw/zinc/08/13/88/380081388.db2.gz XOILUWGLBJXKAE-DOMZBBRYSA-N 1 3 328.482 -0.202 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354706180 380086132 /nfs/dbraw/zinc/08/61/32/380086132.db2.gz HNONCJGTXGLHAC-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000638096826 380128644 /nfs/dbraw/zinc/12/86/44/380128644.db2.gz NELQXVWCZBIBQT-JJRVBVJISA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000615216512 380297321 /nfs/dbraw/zinc/29/73/21/380297321.db2.gz YWHHZPAPJNVYMJ-MCIONIFRSA-N 1 3 330.473 -0.398 20 0 EBADHO C[NH+](C)CCOc1cc(CNC[C@H](O)CN2CCOCC2)ccn1 ZINC000565652362 380428299 /nfs/dbraw/zinc/42/82/99/380428299.db2.gz KHMCMYLZNRWUSH-INIZCTEOSA-N 1 3 338.452 -0.195 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825943 380435078 /nfs/dbraw/zinc/43/50/78/380435078.db2.gz LABMEIMLCUBAIF-OCCSQVGLSA-N 1 3 336.440 -0.303 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825943 380435085 /nfs/dbraw/zinc/43/50/85/380435085.db2.gz LABMEIMLCUBAIF-OCCSQVGLSA-N 1 3 336.440 -0.303 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943376 380444549 /nfs/dbraw/zinc/44/45/49/380444549.db2.gz YECLWYPMVISCGD-JKSUJKDBSA-N 1 3 326.485 -0.310 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943376 380444557 /nfs/dbraw/zinc/44/45/57/380444557.db2.gz YECLWYPMVISCGD-JKSUJKDBSA-N 1 3 326.485 -0.310 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563633 380411491 /nfs/dbraw/zinc/41/14/91/380411491.db2.gz AXOJSFGEUSUOBJ-CABCVRRESA-N 1 3 349.483 -0.042 20 0 EBADHO CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000565417093 380420683 /nfs/dbraw/zinc/42/06/83/380420683.db2.gz NLNZVFYGGXCCCH-WCQYABFASA-N 1 3 342.421 -0.761 20 0 EBADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000567222958 380506906 /nfs/dbraw/zinc/50/69/06/380506906.db2.gz GYJVIGGQRHAUSR-HNNXBMFYSA-N 1 3 339.484 -0.532 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000566378971 380468333 /nfs/dbraw/zinc/46/83/33/380468333.db2.gz HBBPOZHMCXSERS-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]1CN(CCCNC(=O)NCCN2CC[NH2+]CC2)CCCO1 ZINC000418116161 380479626 /nfs/dbraw/zinc/47/96/26/380479626.db2.gz PYCVBQJDINSGQZ-HNNXBMFYSA-N 1 3 327.473 -0.308 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](CN)C1 ZINC000567598287 380530398 /nfs/dbraw/zinc/53/03/98/380530398.db2.gz WYVPAEZRILWBOM-NRXISQOPSA-N 1 3 339.484 -0.676 20 0 EBADHO CN(C)C(=O)CCN1CCC([NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000567726481 380537629 /nfs/dbraw/zinc/53/76/29/380537629.db2.gz GOHPXSLGWXPSPH-INIZCTEOSA-N 1 3 326.485 -0.026 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492051 380604022 /nfs/dbraw/zinc/60/40/22/380604022.db2.gz AFULYESVXTXWPX-YIYPIFLZSA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568492051 380604027 /nfs/dbraw/zinc/60/40/27/380604027.db2.gz AFULYESVXTXWPX-YIYPIFLZSA-N 1 3 338.452 -0.089 20 0 EBADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000574261146 380705516 /nfs/dbraw/zinc/70/55/16/380705516.db2.gz IVSHIRLWMXTBOV-INIZCTEOSA-N 1 3 339.484 -0.356 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021582 380655061 /nfs/dbraw/zinc/65/50/61/380655061.db2.gz DWPZPOPXWSFGLZ-PFSRBDOWSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004070 380754793 /nfs/dbraw/zinc/75/47/93/380754793.db2.gz MAMYOGLYJGYFGQ-QKPAOTATSA-N 1 3 343.431 -0.305 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000574748892 380721618 /nfs/dbraw/zinc/72/16/18/380721618.db2.gz QFMLXEUNQBYZDT-UHFFFAOYSA-N 1 3 327.473 -0.865 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)C[C@@H](C)O1 ZINC000576823883 380786882 /nfs/dbraw/zinc/78/68/82/380786882.db2.gz WFPHWUFGIBDDCR-NCOADZHNSA-N 1 3 329.485 -0.107 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577084736 380801104 /nfs/dbraw/zinc/80/11/04/380801104.db2.gz FZKKEETUDZHNRA-KBPBESRZSA-N 1 3 325.457 -0.922 20 0 EBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc(N2CCNCC2)ccn1 ZINC000638983620 380852304 /nfs/dbraw/zinc/85/23/04/380852304.db2.gz DFCSPDWHRVDCDQ-AWEZNQCLSA-N 1 3 346.435 -0.312 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417574100 380944790 /nfs/dbraw/zinc/94/47/90/380944790.db2.gz YOPGIEBXAJHUPI-HNNXBMFYSA-N 1 3 327.473 -0.308 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581657487 381091884 /nfs/dbraw/zinc/09/18/84/381091884.db2.gz RFVGJIMKRHQXMG-MELADBBJSA-N 1 3 338.452 -0.088 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581657486 381092743 /nfs/dbraw/zinc/09/27/43/381092743.db2.gz RFVGJIMKRHQXMG-IHRRRGAJSA-N 1 3 338.452 -0.088 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000642439537 381093639 /nfs/dbraw/zinc/09/36/39/381093639.db2.gz LADPABPFGZUFNP-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CN1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000583312345 381125090 /nfs/dbraw/zinc/12/50/90/381125090.db2.gz GQZKVAGMCQIZPS-UONOGXRCSA-N 1 3 339.484 -0.676 20 0 EBADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)NC[C@H]1C[NH2+]CCO1 ZINC000418763063 381262900 /nfs/dbraw/zinc/26/29/00/381262900.db2.gz JIRNRMQVUQVMLV-IAGOWNOFSA-N 1 3 348.447 -0.307 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000347663406 381241949 /nfs/dbraw/zinc/24/19/49/381241949.db2.gz DYJFXACITDPNPM-JKSUJKDBSA-N 1 3 326.485 -0.046 20 0 EBADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCCC1 ZINC000418811211 381280774 /nfs/dbraw/zinc/28/07/74/381280774.db2.gz VLVUSVSIIILTEI-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418883123 381331329 /nfs/dbraw/zinc/33/13/29/381331329.db2.gz ZUTHBDGQJZMYOM-CVEARBPZSA-N 1 3 348.447 -0.538 20 0 EBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418863250 381314674 /nfs/dbraw/zinc/31/46/74/381314674.db2.gz BLVWQHCEGRIUAQ-KFWWJZLASA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419020960 381356183 /nfs/dbraw/zinc/35/61/83/381356183.db2.gz GMZGOQQQYDTOMB-ZDUSSCGKSA-N 1 3 328.457 -0.607 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419027244 381356234 /nfs/dbraw/zinc/35/62/34/381356234.db2.gz OFNGZTNUEVNVQW-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO [NH3+]CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419030135 381358489 /nfs/dbraw/zinc/35/84/89/381358489.db2.gz HETICIUOHXXFLN-UHFFFAOYSA-N 1 3 328.482 -0.071 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419082239 381362053 /nfs/dbraw/zinc/36/20/53/381362053.db2.gz UEELEBOZYKXPSL-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419168097 381391788 /nfs/dbraw/zinc/39/17/88/381391788.db2.gz JZTIWCFIHGWUTJ-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419225156 381401488 /nfs/dbraw/zinc/40/14/88/381401488.db2.gz GPBGIVLXNANCFC-HNNXBMFYSA-N 1 3 340.468 -0.281 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419225156 381401493 /nfs/dbraw/zinc/40/14/93/381401493.db2.gz GPBGIVLXNANCFC-HNNXBMFYSA-N 1 3 340.468 -0.281 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419230934 381401995 /nfs/dbraw/zinc/40/19/95/381401995.db2.gz QMKXMGCEVXBEOY-GJZGRUSLSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419230934 381401998 /nfs/dbraw/zinc/40/19/98/381401998.db2.gz QMKXMGCEVXBEOY-GJZGRUSLSA-N 1 3 338.452 -0.528 20 0 EBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCOC2CNC2)CC1 ZINC000349004338 381427953 /nfs/dbraw/zinc/42/79/53/381427953.db2.gz RNPBDKYAVSSERP-UHFFFAOYSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419380843 381434107 /nfs/dbraw/zinc/43/41/07/381434107.db2.gz XSCAULWGNWDEKT-ZDUSSCGKSA-N 1 3 332.448 -0.087 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419442872 381438703 /nfs/dbraw/zinc/43/87/03/381438703.db2.gz AOSMRMWLQOPPHG-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419444653 381439164 /nfs/dbraw/zinc/43/91/64/381439164.db2.gz DFGCMBKQWKERFK-UONOGXRCSA-N 1 3 328.457 -0.295 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419451554 381440319 /nfs/dbraw/zinc/44/03/19/381440319.db2.gz NOGBWSMLWSAWDB-KBPBESRZSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419451263 381440780 /nfs/dbraw/zinc/44/07/80/381440780.db2.gz MYSUFMLCHIYSQQ-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419337999 381419452 /nfs/dbraw/zinc/41/94/52/381419452.db2.gz RPXJSAWBESYYCL-WVWOOGAGSA-N 1 3 338.452 -0.186 20 0 EBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419692465 381473088 /nfs/dbraw/zinc/47/30/88/381473088.db2.gz GRTIWEXIIMAUDV-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850314 381506701 /nfs/dbraw/zinc/50/67/01/381506701.db2.gz FQZSNIKSPVNXIE-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419854808 381508154 /nfs/dbraw/zinc/50/81/54/381508154.db2.gz PKUKIFQYPGDPCP-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO CCN(CC)C(=O)CN1CCCN(CCN2CC[NH2+]CC2)CC1 ZINC000583567845 381511542 /nfs/dbraw/zinc/51/15/42/381511542.db2.gz NZDVEDPAOIYGEV-UHFFFAOYSA-N 1 3 325.501 -0.232 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419891818 381518858 /nfs/dbraw/zinc/51/88/58/381518858.db2.gz NQWDXKQBDOEMML-KBPBESRZSA-N 1 3 328.457 -0.473 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419779691 381490867 /nfs/dbraw/zinc/49/08/67/381490867.db2.gz PPCZYLUPABYBQX-BFHYXJOUSA-N 1 3 326.441 -0.733 20 0 EBADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH3+] ZINC000419828898 381499420 /nfs/dbraw/zinc/49/94/20/381499420.db2.gz DEEYNLPKUUYQQR-HNNXBMFYSA-N 1 3 333.436 -0.031 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCNC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000419836283 381502573 /nfs/dbraw/zinc/50/25/73/381502573.db2.gz VOASWFHDECQNNR-CQSZACIVSA-N 1 3 339.484 -0.804 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420067377 381531096 /nfs/dbraw/zinc/53/10/96/381531096.db2.gz SKGZFUKZZPIEAD-ZDUSSCGKSA-N 1 3 347.419 -0.408 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420184966 381564773 /nfs/dbraw/zinc/56/47/73/381564773.db2.gz OOFCMIRXNYUZAD-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H]1CNCCO1)C(C)C ZINC000420194289 381566923 /nfs/dbraw/zinc/56/69/23/381566923.db2.gz JPUOQNIJYHWRIX-CQSZACIVSA-N 1 3 328.457 -0.332 20 0 EBADHO OC[C@H]1C[C@@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000248389410 381610450 /nfs/dbraw/zinc/61/04/50/381610450.db2.gz GJQHAADKPRYVDZ-USTZCAOPSA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@H]1C[C@@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000248389410 381610456 /nfs/dbraw/zinc/61/04/56/381610456.db2.gz GJQHAADKPRYVDZ-USTZCAOPSA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1CO ZINC000248389410 381610458 /nfs/dbraw/zinc/61/04/58/381610458.db2.gz GJQHAADKPRYVDZ-USTZCAOPSA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1CO ZINC000248389410 381610460 /nfs/dbraw/zinc/61/04/60/381610460.db2.gz GJQHAADKPRYVDZ-USTZCAOPSA-N 1 3 336.432 -0.458 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000571985857 381632306 /nfs/dbraw/zinc/63/23/06/381632306.db2.gz DPXMBINMFSEZNS-KBPBESRZSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@@H]1CN(CCCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000351542274 381641702 /nfs/dbraw/zinc/64/17/02/381641702.db2.gz QVNFFFFRGOKYON-QLFBSQMISA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859030 381685890 /nfs/dbraw/zinc/68/58/90/381685890.db2.gz ZLDXEBPCWWNJSI-NWDGAFQWSA-N 1 3 334.424 -0.507 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000332008095 381738948 /nfs/dbraw/zinc/73/89/48/381738948.db2.gz CXNBMLCYMWIOHT-RBSFLKMASA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000332008095 381738951 /nfs/dbraw/zinc/73/89/51/381738951.db2.gz CXNBMLCYMWIOHT-RBSFLKMASA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643502611 381910692 /nfs/dbraw/zinc/91/06/92/381910692.db2.gz LKXSJLMVGAIILV-CQSZACIVSA-N 1 3 340.468 -0.105 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@@H]1C[NH3+] ZINC000643509649 381928373 /nfs/dbraw/zinc/92/83/73/381928373.db2.gz DNFTVSSWPXXFMV-CABCVRRESA-N 1 3 341.500 -0.619 20 0 EBADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H]1C[NH3+] ZINC000643509652 381928629 /nfs/dbraw/zinc/92/86/29/381928629.db2.gz DNFTVSSWPXXFMV-LSDHHAIUSA-N 1 3 341.500 -0.619 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333774006 381957246 /nfs/dbraw/zinc/95/72/46/381957246.db2.gz CNBNYDPIBOYDBL-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCO1 ZINC000643510622 381961543 /nfs/dbraw/zinc/96/15/43/381961543.db2.gz CXFOUYQJWOPTSL-KKUMJFAQSA-N 1 3 338.452 -0.352 20 0 EBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643516772 382022723 /nfs/dbraw/zinc/02/27/23/382022723.db2.gz UGIAEIAGXPIEJO-OWCLPIDISA-N 1 3 349.479 -0.812 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCN1C ZINC000418013897 382068255 /nfs/dbraw/zinc/06/82/55/382068255.db2.gz ZZIUZDMHAFNAFF-RDBSUJKOSA-N 1 3 325.457 -0.034 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186496605 154143262 /nfs/dbraw/zinc/14/32/62/154143262.db2.gz MGSJSULRSZFLFV-XSLAGTTESA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186496605 154143266 /nfs/dbraw/zinc/14/32/66/154143266.db2.gz MGSJSULRSZFLFV-XSLAGTTESA-N 1 3 336.432 -0.458 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000246794621 154183381 /nfs/dbraw/zinc/18/33/81/154183381.db2.gz QOWUUXVUKXCWMM-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000246794621 154183384 /nfs/dbraw/zinc/18/33/84/154183384.db2.gz QOWUUXVUKXCWMM-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO COCC1(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[NH2+]CC1 ZINC000261739735 154200470 /nfs/dbraw/zinc/20/04/70/154200470.db2.gz NULCURQEELQEFP-AWEZNQCLSA-N 1 3 340.468 -0.471 20 0 EBADHO NC(=O)NC(=O)CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261962080 154205821 /nfs/dbraw/zinc/20/58/21/154205821.db2.gz XYHSSHNZOCYANL-VXGBXAGGSA-N 1 3 325.413 -0.848 20 0 EBADHO Cn1c2ncn(CCN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2c(=O)n(C)c1=O ZINC000342090285 156008020 /nfs/dbraw/zinc/00/80/20/156008020.db2.gz SOOTYAPIMUAIAD-RWMBFGLXSA-N 1 3 346.435 -0.507 20 0 EBADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000343684931 156155632 /nfs/dbraw/zinc/15/56/32/156155632.db2.gz LWJUOZBOCKNLNY-RDJZCZTQSA-N 1 3 336.480 -0.007 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345245007 156315673 /nfs/dbraw/zinc/31/56/73/156315673.db2.gz COWRVMMDAVRAAL-KURKYZTESA-N 1 3 349.523 -0.139 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000357585462 157159222 /nfs/dbraw/zinc/15/92/22/157159222.db2.gz XTQVKAKGOYNUHB-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000357585462 157159227 /nfs/dbraw/zinc/15/92/27/157159227.db2.gz XTQVKAKGOYNUHB-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000358702370 157271726 /nfs/dbraw/zinc/27/17/26/157271726.db2.gz JNUHNWBETZSWCM-UXLLHSPISA-N 1 3 340.468 -0.270 20 0 EBADHO CC(C)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000358681731 157271748 /nfs/dbraw/zinc/27/17/48/157271748.db2.gz QBHXYYDXRDQUOX-DOTOQJQBSA-N 1 3 341.500 -0.376 20 0 EBADHO CC(C)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000358681731 157271749 /nfs/dbraw/zinc/27/17/49/157271749.db2.gz QBHXYYDXRDQUOX-DOTOQJQBSA-N 1 3 341.500 -0.376 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCC[C@@H](C)C1 ZINC000360277334 157371209 /nfs/dbraw/zinc/37/12/09/157371209.db2.gz AXQSKLWZAOUOFV-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1=CCN(C)CC1 ZINC000360277779 157371842 /nfs/dbraw/zinc/37/18/42/157371842.db2.gz DMVOPEXKFKTYBT-ZDUSSCGKSA-N 1 3 326.441 -0.553 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000360287079 157373545 /nfs/dbraw/zinc/37/35/45/157373545.db2.gz SDLQLIGSVUDGOY-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000360287079 157373548 /nfs/dbraw/zinc/37/35/48/157373548.db2.gz SDLQLIGSVUDGOY-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419860686 419020940 /nfs/dbraw/zinc/02/09/40/419020940.db2.gz AYUXRAXIBNEIFQ-ZNMIVQPWSA-N 1 3 340.468 -0.058 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410506268 419035617 /nfs/dbraw/zinc/03/56/17/419035617.db2.gz XGBUEXWAELPPKY-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000410506268 419035621 /nfs/dbraw/zinc/03/56/21/419035621.db2.gz XGBUEXWAELPPKY-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653115119 418989771 /nfs/dbraw/zinc/98/97/71/418989771.db2.gz DBCPOEJSDKNBEX-KBPBESRZSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000662933710 419005810 /nfs/dbraw/zinc/00/58/10/419005810.db2.gz YTFQFYOUEJCPCW-CQSZACIVSA-N 1 3 339.484 -0.580 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000665760627 419010022 /nfs/dbraw/zinc/01/00/22/419010022.db2.gz LYTDYUDODQWGEV-JKSUJKDBSA-N 1 3 341.500 -0.016 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000665760627 419010024 /nfs/dbraw/zinc/01/00/24/419010024.db2.gz LYTDYUDODQWGEV-JKSUJKDBSA-N 1 3 341.500 -0.016 20 0 EBADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643775856 419053178 /nfs/dbraw/zinc/05/31/78/419053178.db2.gz DLMOKDJIJJFDMY-GJZGRUSLSA-N 1 3 340.468 -0.105 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652667482 419247618 /nfs/dbraw/zinc/24/76/18/419247618.db2.gz SWRFUTQLKAHIFN-TZMCWYRMSA-N 1 3 326.441 -0.591 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652682854 419251756 /nfs/dbraw/zinc/25/17/56/419251756.db2.gz XKRDCKBXSQJXGH-RRFJBIMHSA-N 1 3 340.468 -0.343 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@H]1C[NH3+] ZINC000652728930 419323837 /nfs/dbraw/zinc/32/38/37/419323837.db2.gz IJDMYHUHIHZMFN-HZSPNIEDSA-N 1 3 326.441 -0.639 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000652732453 419336351 /nfs/dbraw/zinc/33/63/51/419336351.db2.gz LMFRYMCBNIOSAQ-CQSZACIVSA-N 1 3 326.441 -0.493 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348014516 419499532 /nfs/dbraw/zinc/49/95/32/419499532.db2.gz MXGOGBZVHGZXED-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348014516 419499542 /nfs/dbraw/zinc/49/95/42/419499542.db2.gz MXGOGBZVHGZXED-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCOC1C[NH2+]C1 ZINC000348988453 419500769 /nfs/dbraw/zinc/50/07/69/419500769.db2.gz HNGXLXIZMLBCSL-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)C(C)(C)NCCOCC[NH2+]C(C)(C)C(=O)N(C)C ZINC000532717353 419622530 /nfs/dbraw/zinc/62/25/30/419622530.db2.gz QNRVDXNDYUHFBB-UHFFFAOYSA-N 1 3 330.473 -0.084 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)CCO1 ZINC000659716761 419786738 /nfs/dbraw/zinc/78/67/38/419786738.db2.gz CKWPXZXFXHINEE-UONOGXRCSA-N 1 3 326.441 -0.591 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659711256 419774367 /nfs/dbraw/zinc/77/43/67/419774367.db2.gz YMXSOIHJNMQMBW-KGLIPLIRSA-N 1 3 327.473 -0.900 20 0 EBADHO C[C@H](CN)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420016065 419832982 /nfs/dbraw/zinc/83/29/82/419832982.db2.gz RRIBFJRNMTUREJ-RBSFLKMASA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000665639971 420517900 /nfs/dbraw/zinc/51/79/00/420517900.db2.gz JWDNDCJQZBVLJB-STQMWFEESA-N 1 3 329.445 -0.846 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000665639971 420517904 /nfs/dbraw/zinc/51/79/04/420517904.db2.gz JWDNDCJQZBVLJB-STQMWFEESA-N 1 3 329.445 -0.846 20 0 EBADHO CCN1CCN(CC(C)(C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000654412776 420826567 /nfs/dbraw/zinc/82/65/67/420826567.db2.gz MOTOBGOQMGVSOJ-MRXNPFEDSA-N 1 3 337.512 -0.091 20 0 EBADHO CCN1CCN(CC(C)(C)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000654412776 420826568 /nfs/dbraw/zinc/82/65/68/420826568.db2.gz MOTOBGOQMGVSOJ-MRXNPFEDSA-N 1 3 337.512 -0.091 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000654997599 420846869 /nfs/dbraw/zinc/84/68/69/420846869.db2.gz GAHXJAJKAHZTQA-ZNMIVQPWSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000654997599 420846872 /nfs/dbraw/zinc/84/68/72/420846872.db2.gz GAHXJAJKAHZTQA-ZNMIVQPWSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000654545710 420833232 /nfs/dbraw/zinc/83/32/32/420833232.db2.gz CHRLLWVAIWWIMD-OWCLPIDISA-N 1 3 340.468 -0.052 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000654545710 420833235 /nfs/dbraw/zinc/83/32/35/420833235.db2.gz CHRLLWVAIWWIMD-OWCLPIDISA-N 1 3 340.468 -0.052 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000656028043 420868135 /nfs/dbraw/zinc/86/81/35/420868135.db2.gz HPACJYJBQBCSHF-RRFJBIMHSA-N 1 3 337.468 -0.779 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656028756 420868342 /nfs/dbraw/zinc/86/83/42/420868342.db2.gz QLTNEPHZUUQKEH-AJNGGQMLSA-N 1 3 338.452 -0.306 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656028758 420869022 /nfs/dbraw/zinc/86/90/22/420869022.db2.gz QLTNEPHZUUQKEH-XQLPTFJDSA-N 1 3 338.452 -0.306 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCCO1 ZINC000659677698 421012919 /nfs/dbraw/zinc/01/29/19/421012919.db2.gz RVQXWEOVHPOPMG-TUBUQKNSSA-N 1 3 338.452 -0.447 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000659686832 421014549 /nfs/dbraw/zinc/01/45/49/421014549.db2.gz KQFCPRZNQPYPDH-CYBMUJFWSA-N 1 3 336.436 -0.033 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1(C)C ZINC000659689185 421015453 /nfs/dbraw/zinc/01/54/53/421015453.db2.gz VYAHOUZWSKFNTL-UHFFFAOYSA-N 1 3 339.484 -0.484 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000659739462 421026636 /nfs/dbraw/zinc/02/66/36/421026636.db2.gz UUSXBKRKZIZACS-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337635 421085642 /nfs/dbraw/zinc/08/56/42/421085642.db2.gz MKCJDQDKZAURQD-WMLDXEAASA-N 1 3 336.484 -0.031 20 0 EBADHO CNS(=O)(=O)CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664723885 421161447 /nfs/dbraw/zinc/16/14/47/421161447.db2.gz ATOKDKOONNLINR-LBPRGKRZSA-N 1 3 337.490 -0.893 20 0 EBADHO CNS(=O)(=O)CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664723885 421161449 /nfs/dbraw/zinc/16/14/49/421161449.db2.gz ATOKDKOONNLINR-LBPRGKRZSA-N 1 3 337.490 -0.893 20 0 EBADHO CNc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000573088760 421222038 /nfs/dbraw/zinc/22/20/38/421222038.db2.gz VLCVXYYTFPIAMR-UHFFFAOYSA-N 1 3 336.440 0.014 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419027245 264844869 /nfs/dbraw/zinc/84/48/69/264844869.db2.gz OFNGZTNUEVNVQW-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(CCN)CCO)c1 ZINC000419014182 264845551 /nfs/dbraw/zinc/84/55/51/264845551.db2.gz CLTDNBRDQMIEGJ-UHFFFAOYSA-N 1 3 336.436 -0.466 20 0 EBADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(CCN)CCO)c1 ZINC000419014182 264845553 /nfs/dbraw/zinc/84/55/53/264845553.db2.gz CLTDNBRDQMIEGJ-UHFFFAOYSA-N 1 3 336.436 -0.466 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419574768 264880817 /nfs/dbraw/zinc/88/08/17/264880817.db2.gz ABBDQCSFULTPRV-XUJVJEKNSA-N 1 3 328.482 -0.346 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873885 264901060 /nfs/dbraw/zinc/90/10/60/264901060.db2.gz SDFNEACFZXVDNC-UHFFFAOYSA-N 1 3 327.473 -0.946 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000420005146 264914077 /nfs/dbraw/zinc/91/40/77/264914077.db2.gz OWMQUVGOJKYVTQ-LBPRGKRZSA-N 1 3 335.408 -0.408 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423517390 265007988 /nfs/dbraw/zinc/00/79/88/265007988.db2.gz YHJKCXWLXDIOIT-HNNXBMFYSA-N 1 3 337.468 -0.955 20 0 EBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000423665315 265030045 /nfs/dbraw/zinc/03/00/45/265030045.db2.gz HEYXSGOHTULZCS-ILXRZTDVSA-N 1 3 340.468 -0.106 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000423694321 265033000 /nfs/dbraw/zinc/03/30/00/265033000.db2.gz ARYBWLOBQGAHIJ-UONOGXRCSA-N 1 3 328.457 -0.249 20 0 EBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000423709785 265036079 /nfs/dbraw/zinc/03/60/79/265036079.db2.gz JEHQBNHGWUGSIA-UHFFFAOYSA-N 1 3 341.500 -0.461 20 0 EBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000423709785 265036082 /nfs/dbraw/zinc/03/60/82/265036082.db2.gz JEHQBNHGWUGSIA-UHFFFAOYSA-N 1 3 341.500 -0.461 20 0 EBADHO CN(CCCN(C)C(=O)C(=O)N1CCNC(C)(C)C1)CC[NH+](C)C ZINC000423709785 265036085 /nfs/dbraw/zinc/03/60/85/265036085.db2.gz JEHQBNHGWUGSIA-UHFFFAOYSA-N 1 3 341.500 -0.461 20 0 EBADHO CC[C@H](C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1)N(C)C ZINC000425311131 265091100 /nfs/dbraw/zinc/09/11/00/265091100.db2.gz FPSITSPDOJIFPQ-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1)N(C)C ZINC000425311131 265091103 /nfs/dbraw/zinc/09/11/03/265091103.db2.gz FPSITSPDOJIFPQ-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1)N(C)C ZINC000425311133 265091293 /nfs/dbraw/zinc/09/12/93/265091293.db2.gz FPSITSPDOJIFPQ-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1)N(C)C ZINC000425311133 265091295 /nfs/dbraw/zinc/09/12/95/265091295.db2.gz FPSITSPDOJIFPQ-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C)CCN(C)C(=O)[C@@H]1CC[C@@H](C(=O)N(C)CC[NH+](C)C)O1 ZINC000427245023 265103216 /nfs/dbraw/zinc/10/32/16/265103216.db2.gz YKSNMDYQDUIYPH-KBPBESRZSA-N 1 3 328.457 -0.426 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430895038 265156691 /nfs/dbraw/zinc/15/66/91/265156691.db2.gz RNIRJWKMRILAED-UONOGXRCSA-N 1 3 326.441 -0.541 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430895038 265156696 /nfs/dbraw/zinc/15/66/96/265156696.db2.gz RNIRJWKMRILAED-UONOGXRCSA-N 1 3 326.441 -0.541 20 0 EBADHO C[C@@H]([NH3+])C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000430960477 265158618 /nfs/dbraw/zinc/15/86/18/265158618.db2.gz JLOHAXQSCUCSCQ-LLVKDONJSA-N 1 3 334.424 -0.507 20 0 EBADHO NC(=O)[C@H]1CCCN1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433136145 265186017 /nfs/dbraw/zinc/18/60/17/265186017.db2.gz KUNRPJCJABWDQR-OAHLLOKOSA-N 1 3 339.484 -0.354 20 0 EBADHO CCN1CCN(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000434420750 265204181 /nfs/dbraw/zinc/20/41/81/265204181.db2.gz SEJQFCSWNWPUJF-INIZCTEOSA-N 1 3 326.485 -0.023 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C/C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738645 265211194 /nfs/dbraw/zinc/21/11/94/265211194.db2.gz OOCOXYONDDNGAZ-ZHEVZCJESA-N 1 3 332.448 -0.033 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C/C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738645 265211198 /nfs/dbraw/zinc/21/11/98/265211198.db2.gz OOCOXYONDDNGAZ-ZHEVZCJESA-N 1 3 332.448 -0.033 20 0 EBADHO CN(CCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443055892 265338304 /nfs/dbraw/zinc/33/83/04/265338304.db2.gz BXGODOHGGYBZJX-ZDUSSCGKSA-N 1 3 334.486 -0.555 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419992597 272817545 /nfs/dbraw/zinc/81/75/45/272817545.db2.gz FOGKJRXHHXNQJN-AWEZNQCLSA-N 1 3 328.457 -0.471 20 0 EBADHO CN1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668362215 545662379 /nfs/dbraw/zinc/66/23/79/545662379.db2.gz SVTLAOZMFGFYHQ-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000668633893 545725532 /nfs/dbraw/zinc/72/55/32/545725532.db2.gz UCYMAEZJDAVVRC-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000668658497 545727937 /nfs/dbraw/zinc/72/79/37/545727937.db2.gz NVBHHUXHAYMHOR-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000669491326 545881717 /nfs/dbraw/zinc/88/17/17/545881717.db2.gz VOEDIBGZEXCFLH-CABCVRRESA-N 1 3 337.468 -0.033 20 0 EBADHO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000672009166 546078187 /nfs/dbraw/zinc/07/81/87/546078187.db2.gz YXZIRVYJBDXDBP-HIFRSBDPSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673218877 546135070 /nfs/dbraw/zinc/13/50/70/546135070.db2.gz IEIHJUMPHFPUSR-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C(=O)CN1CCN(C)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673669707 546146422 /nfs/dbraw/zinc/14/64/22/546146422.db2.gz NFSNMQFYAKGQJS-QGZVFWFLSA-N 1 3 337.512 -0.139 20 0 EBADHO C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CCCC1 ZINC000676090647 546194623 /nfs/dbraw/zinc/19/46/23/546194623.db2.gz XCEXIBCIPJHSPT-CYBMUJFWSA-N 1 3 336.440 -0.016 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099676 546196756 /nfs/dbraw/zinc/19/67/56/546196756.db2.gz LCXJNGJPFUULNO-IUODEOHRSA-N 1 3 348.451 -0.018 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677877671 546238163 /nfs/dbraw/zinc/23/81/63/546238163.db2.gz IYAWSAUMBRAUSW-GJZGRUSLSA-N 1 3 337.468 -0.920 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677877671 546238167 /nfs/dbraw/zinc/23/81/67/546238167.db2.gz IYAWSAUMBRAUSW-GJZGRUSLSA-N 1 3 337.468 -0.920 20 0 EBADHO C[NH+](C)CCN1CCC(NC(=O)NCCN2CCC(O)CC2)CC1 ZINC000891805805 582561285 /nfs/dbraw/zinc/56/12/85/582561285.db2.gz QYYKASOAZSLBIM-UHFFFAOYSA-N 1 3 341.500 -0.232 20 0 EBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3CN([C@H]4CCOC4)C3)C2)CC1 ZINC000896324539 582662050 /nfs/dbraw/zinc/66/20/50/582662050.db2.gz DSSFMCVGHNTNMZ-WBVHZDCISA-N 1 3 336.480 -0.008 20 0 EBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C3CN([C@H]4CCOC4)C3)C2)CC1 ZINC000896324539 582662052 /nfs/dbraw/zinc/66/20/52/582662052.db2.gz DSSFMCVGHNTNMZ-WBVHZDCISA-N 1 3 336.480 -0.008 20 0 EBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C3CN([C@H]4CCOC4)C3)C2)CC1 ZINC000896324539 582662054 /nfs/dbraw/zinc/66/20/54/582662054.db2.gz DSSFMCVGHNTNMZ-WBVHZDCISA-N 1 3 336.480 -0.008 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733658 582755738 /nfs/dbraw/zinc/75/57/38/582755738.db2.gz HAAYTUMUJXCULO-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733658 582755742 /nfs/dbraw/zinc/75/57/42/582755742.db2.gz HAAYTUMUJXCULO-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CN1CCC[C@](O)(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000900513435 582771187 /nfs/dbraw/zinc/77/11/87/582771187.db2.gz WQECGKCDDNTVDK-YOEHRIQHSA-N 1 3 340.468 -0.463 20 0 EBADHO CN1CCC[C@](O)(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000900513435 582771189 /nfs/dbraw/zinc/77/11/89/582771189.db2.gz WQECGKCDDNTVDK-YOEHRIQHSA-N 1 3 340.468 -0.463 20 0 EBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903735732 582815822 /nfs/dbraw/zinc/81/58/22/582815822.db2.gz OKGIVTAGBZBXJK-HBNTYKKESA-N 1 3 336.358 -0.113 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000804054730 583638587 /nfs/dbraw/zinc/63/85/87/583638587.db2.gz WBWHYPCKQUQLDX-TUVASFSCSA-N 1 3 338.452 -0.435 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000804054730 583638589 /nfs/dbraw/zinc/63/85/89/583638589.db2.gz WBWHYPCKQUQLDX-TUVASFSCSA-N 1 3 338.452 -0.435 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059232 583640837 /nfs/dbraw/zinc/64/08/37/583640837.db2.gz IFMIRZRNABDKMV-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804059232 583640840 /nfs/dbraw/zinc/64/08/40/583640840.db2.gz IFMIRZRNABDKMV-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000807776583 583663264 /nfs/dbraw/zinc/66/32/64/583663264.db2.gz DSIKDEKNIHCDFJ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000807776583 583663266 /nfs/dbraw/zinc/66/32/66/583663266.db2.gz DSIKDEKNIHCDFJ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1C[NH3+] ZINC000842165373 584058955 /nfs/dbraw/zinc/05/89/55/584058955.db2.gz VMGAGAHDCAFHOU-CBBWQLFWSA-N 1 3 338.452 -0.591 20 0 EBADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000846331255 584124677 /nfs/dbraw/zinc/12/46/77/584124677.db2.gz SIMHERDENDJTMR-GJZGRUSLSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000863757018 584376884 /nfs/dbraw/zinc/37/68/84/584376884.db2.gz RHJMMHANDMVPAE-UONOGXRCSA-N 1 3 325.457 -0.970 20 0 EBADHO O=C(C[C@@H]1CSCCN1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999817 584450764 /nfs/dbraw/zinc/45/07/64/584450764.db2.gz PYHGTNMDDNCGPN-XQHKEYJVSA-N 1 3 340.449 -0.525 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752482 584522055 /nfs/dbraw/zinc/52/20/55/584522055.db2.gz REZFIAOUYZEQIP-HIFRSBDPSA-N 1 3 326.416 -0.299 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cn1 ZINC000876771425 584523232 /nfs/dbraw/zinc/52/32/32/584523232.db2.gz RTFSTJVWYYUDMS-SMDDNHRTSA-N 1 3 340.403 -0.553 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1(C)C ZINC000884507922 584625069 /nfs/dbraw/zinc/62/50/69/584625069.db2.gz PSKGEGFFCLOQCJ-CYBMUJFWSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000884516814 584625558 /nfs/dbraw/zinc/62/55/58/584625558.db2.gz VGOARODCKAFVDV-VNHYZAJKSA-N 1 3 338.452 -0.306 20 0 EBADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000884560132 584627162 /nfs/dbraw/zinc/62/71/62/584627162.db2.gz OAQAHPQHRGINOE-KGLIPLIRSA-N 1 3 338.452 -0.304 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCSC1 ZINC000884612649 584629921 /nfs/dbraw/zinc/62/99/21/584629921.db2.gz QOFLETHSAMIAEW-ZENOOKHLSA-N 1 3 340.493 -0.107 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884650201 584631791 /nfs/dbraw/zinc/63/17/91/584631791.db2.gz BLUQQBCDQJZUBH-CQSZACIVSA-N 1 3 340.468 -0.281 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884662361 584632428 /nfs/dbraw/zinc/63/24/28/584632428.db2.gz ODXAWWGXLBEKRJ-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692611 584634717 /nfs/dbraw/zinc/63/47/17/584634717.db2.gz KRXQRMAMNIECOL-HIFRSBDPSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692611 584634720 /nfs/dbraw/zinc/63/47/20/584634720.db2.gz KRXQRMAMNIECOL-HIFRSBDPSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884707658 584635307 /nfs/dbraw/zinc/63/53/07/584635307.db2.gz UULBSVXGNDHFQY-DOMZBBRYSA-N 1 3 331.420 -0.028 20 0 EBADHO COCCNCCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884721479 584635711 /nfs/dbraw/zinc/63/57/11/584635711.db2.gz LRHAPJCMVMMISJ-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCNCCOC)CC1 ZINC000884721811 584635744 /nfs/dbraw/zinc/63/57/44/584635744.db2.gz UYZWZBWMPOQNQK-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 ZINC000884812437 584638299 /nfs/dbraw/zinc/63/82/99/584638299.db2.gz PZQWRGVVTPSJNF-AWEZNQCLSA-N 1 3 349.435 -0.529 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012985 584642746 /nfs/dbraw/zinc/64/27/46/584642746.db2.gz WEQLKSDKOQSJBN-QDMKHBRRSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCN(C)C[C@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451422 584678513 /nfs/dbraw/zinc/67/85/13/584678513.db2.gz MVCKSSKGFWNXHY-ZFWWWQNUSA-N 1 3 326.445 -0.860 20 0 EBADHO CN(C[C@H](O)C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446624 650063566 /nfs/dbraw/zinc/06/35/66/650063566.db2.gz JZXUJHZCMMYEAA-FUHWJXTLSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@H+](C[C@H](O)CN[C@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446624 650063567 /nfs/dbraw/zinc/06/35/67/650063567.db2.gz JZXUJHZCMMYEAA-FUHWJXTLSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@@H+](C[C@H](O)CN[C@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446624 650063568 /nfs/dbraw/zinc/06/35/68/650063568.db2.gz JZXUJHZCMMYEAA-FUHWJXTLSA-N 1 3 340.512 -0.172 20 0 EBADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000910414056 650111013 /nfs/dbraw/zinc/11/10/13/650111013.db2.gz YYZHCMYFFQJTPL-KGLIPLIRSA-N 1 3 325.409 -0.730 20 0 EBADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C1CC1 ZINC000911052839 650148081 /nfs/dbraw/zinc/14/80/81/650148081.db2.gz ISGRXIQFSLBAJX-GHMZBOCLSA-N 1 3 336.358 -0.065 20 0 EBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCNCCNCC1)C(C)(C)C ZINC000911076474 650149157 /nfs/dbraw/zinc/14/91/57/650149157.db2.gz HBXGRAAILSKOBS-CQSZACIVSA-N 1 3 341.500 -0.510 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000911097439 650151146 /nfs/dbraw/zinc/15/11/46/650151146.db2.gz QGKZWOFRDCNQJM-KGLIPLIRSA-N 1 3 339.484 -0.628 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911162421 650155438 /nfs/dbraw/zinc/15/54/38/650155438.db2.gz RDWDWUUNQIEDFQ-AWEZNQCLSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000911270502 650164892 /nfs/dbraw/zinc/16/48/92/650164892.db2.gz XXQPYQAZAJRULK-KBPBESRZSA-N 1 3 339.484 -0.900 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556503 650193464 /nfs/dbraw/zinc/19/34/64/650193464.db2.gz KVVLADQFLDYGIT-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000923343682 650338110 /nfs/dbraw/zinc/33/81/10/650338110.db2.gz FGMXXYPXFOXSTE-HRCADAONSA-N 1 3 343.468 -0.138 20 0 EBADHO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926322684 650386050 /nfs/dbraw/zinc/38/60/50/650386050.db2.gz HJUXSOYIOIPVEY-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926322684 650386052 /nfs/dbraw/zinc/38/60/52/650386052.db2.gz HJUXSOYIOIPVEY-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C)N1CC[NH+](C)CC1 ZINC000929305934 651541639 /nfs/dbraw/zinc/54/16/39/651541639.db2.gz ZQGFEQFYTWESJK-CABCVRRESA-N 1 3 339.484 -0.805 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NCCN1CCC[C@H](C)C1)C[NH+](C)C ZINC000929399892 651545885 /nfs/dbraw/zinc/54/58/85/651545885.db2.gz WURXCMOWFWLZOM-LSDHHAIUSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCN2C)CC1 ZINC000929430938 651547638 /nfs/dbraw/zinc/54/76/38/651547638.db2.gz MNBSEJHMUGHMRP-HNNXBMFYSA-N 1 3 339.484 -0.659 20 0 EBADHO CN1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000930175160 651587876 /nfs/dbraw/zinc/58/78/76/651587876.db2.gz QZKPDNMMHMGKNL-ZFWWWQNUSA-N 1 3 337.468 -0.909 20 0 EBADHO CN1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000930175160 651587880 /nfs/dbraw/zinc/58/78/80/651587880.db2.gz QZKPDNMMHMGKNL-ZFWWWQNUSA-N 1 3 337.468 -0.909 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931878510 651650846 /nfs/dbraw/zinc/65/08/46/651650846.db2.gz DFTZWJLBIPZXRS-HNNXBMFYSA-N 1 3 339.484 -0.709 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931878510 651650847 /nfs/dbraw/zinc/65/08/47/651650847.db2.gz DFTZWJLBIPZXRS-HNNXBMFYSA-N 1 3 339.484 -0.709 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N(C)CCN1CCCC1)C[NH+](C)C ZINC000932466399 651681125 /nfs/dbraw/zinc/68/11/25/651681125.db2.gz AHEVNXKIUMCQSQ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C[NH+](C)C ZINC000932468372 651681895 /nfs/dbraw/zinc/68/18/95/651681895.db2.gz NIJNDZXJTRGSAP-QLFBSQMISA-N 1 3 340.468 -0.236 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C[NH+](C)C ZINC000932470993 651682794 /nfs/dbraw/zinc/68/27/94/651682794.db2.gz CYGBUEWZJAVTFD-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1 ZINC000946927385 653273521 /nfs/dbraw/zinc/27/35/21/653273521.db2.gz HSDVGPXRPGLSDQ-KGLIPLIRSA-N 1 3 338.452 -0.840 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1 ZINC000946927385 653273524 /nfs/dbraw/zinc/27/35/24/653273524.db2.gz HSDVGPXRPGLSDQ-KGLIPLIRSA-N 1 3 338.452 -0.840 20 0 EBADHO CCN1CCN(c2nc(C(N)=O)cc(N3CC[NH+](CC)CC3)n2)CC1 ZINC000891393815 719423984 /nfs/dbraw/zinc/42/39/84/719423984.db2.gz IYSMTYGITHRNBD-UHFFFAOYSA-N 1 3 347.467 -0.141 20 0 EBADHO Cn1cc(CCN2C[C@@H](O)[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958373213 722353852 /nfs/dbraw/zinc/35/38/52/722353852.db2.gz DGGUDFSANVSYHR-DLBZAZTESA-N 1 3 349.479 -0.287 20 0 EBADHO Cn1cc(CCN2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](O)C2)cn1 ZINC000958373214 722353886 /nfs/dbraw/zinc/35/38/86/722353886.db2.gz DGGUDFSANVSYHR-IAGOWNOFSA-N 1 3 349.479 -0.287 20 0 EBADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CC1 ZINC001018966524 728757791 /nfs/dbraw/zinc/75/77/91/728757791.db2.gz LMLZTGCHKFBVGR-JSGCOSHPSA-N 1 3 337.424 -0.931 20 0 EBADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC001018967644 728758358 /nfs/dbraw/zinc/75/83/58/728758358.db2.gz HNJAPDDPWZXOEN-BBRMVZONSA-N 1 3 336.436 -0.334 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000961599750 723043526 /nfs/dbraw/zinc/04/35/26/723043526.db2.gz OHVXAPWPEXTDMR-MELADBBJSA-N 1 3 331.420 -0.179 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000961599750 723043527 /nfs/dbraw/zinc/04/35/27/723043527.db2.gz OHVXAPWPEXTDMR-MELADBBJSA-N 1 3 331.420 -0.179 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC000961665942 723054877 /nfs/dbraw/zinc/05/48/77/723054877.db2.gz VOHYEUZBPSXYSK-HALDLXJZSA-N 1 3 348.447 -0.476 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000964237757 723902457 /nfs/dbraw/zinc/90/24/57/723902457.db2.gz OVLCUXMEDSVRSX-OAHLLOKOSA-N 1 3 349.435 -0.362 20 0 EBADHO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000964415464 724006201 /nfs/dbraw/zinc/00/62/01/724006201.db2.gz HJGXPMRTRFTRGY-GDIZOVHDSA-N 1 3 348.447 -0.648 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019394869 728878485 /nfs/dbraw/zinc/87/84/85/728878485.db2.gz PBOYCCSNUMTIBW-RDBSUJKOSA-N 1 3 331.482 -0.048 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)N(C)C ZINC001019394881 728878701 /nfs/dbraw/zinc/87/87/01/728878701.db2.gz PILBDGXWYRHLMY-ILXRZTDVSA-N 1 3 340.468 -0.236 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965700400 724376583 /nfs/dbraw/zinc/37/65/83/724376583.db2.gz DVOZTVIPAOFASD-GXTWGEPZSA-N 1 3 347.419 -0.610 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965700400 724376584 /nfs/dbraw/zinc/37/65/84/724376584.db2.gz DVOZTVIPAOFASD-GXTWGEPZSA-N 1 3 347.419 -0.610 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CC1 ZINC000968912581 725128359 /nfs/dbraw/zinc/12/83/59/725128359.db2.gz LMLZTGCHKFBVGR-TZMCWYRMSA-N 1 3 337.424 -0.931 20 0 EBADHO CC[C@@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019576323 728926302 /nfs/dbraw/zinc/92/63/02/728926302.db2.gz PWANOPRFCUXUQM-GXTWGEPZSA-N 1 3 326.441 -0.448 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000970102633 725251098 /nfs/dbraw/zinc/25/10/98/725251098.db2.gz FKMQTHZMIQJYRY-CHWSQXEVSA-N 1 3 340.449 -0.033 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001051651370 735292561 /nfs/dbraw/zinc/29/25/61/735292561.db2.gz KWSFOCXGOTVSDO-UONOGXRCSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654319 735295500 /nfs/dbraw/zinc/29/55/00/735295500.db2.gz LEHLFLFAKIVIOG-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714480 725566557 /nfs/dbraw/zinc/56/65/57/725566557.db2.gz YKQQFPHUDJHXHA-WFGSVCOBSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714480 725566561 /nfs/dbraw/zinc/56/65/61/725566561.db2.gz YKQQFPHUDJHXHA-WFGSVCOBSA-N 1 3 348.447 -0.872 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972733045 725588356 /nfs/dbraw/zinc/58/83/56/725588356.db2.gz OKOABTIPOQJAQI-HUUCEWRRSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972733045 725588360 /nfs/dbraw/zinc/58/83/60/725588360.db2.gz OKOABTIPOQJAQI-HUUCEWRRSA-N 1 3 337.468 -0.114 20 0 EBADHO O=C(N[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000991935389 725679668 /nfs/dbraw/zinc/67/96/68/725679668.db2.gz QYKBYCHDSIPVIP-MVKZVMCQSA-N 1 3 335.448 -0.045 20 0 EBADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000991935389 725679670 /nfs/dbraw/zinc/67/96/70/725679670.db2.gz QYKBYCHDSIPVIP-MVKZVMCQSA-N 1 3 335.448 -0.045 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975424025 726149344 /nfs/dbraw/zinc/14/93/44/726149344.db2.gz PPIJTPAQJNEDSZ-VNHYZAJKSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975424025 726149345 /nfs/dbraw/zinc/14/93/45/726149345.db2.gz PPIJTPAQJNEDSZ-VNHYZAJKSA-N 1 3 331.420 -0.037 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996470270 726401396 /nfs/dbraw/zinc/40/13/96/726401396.db2.gz GPZRLOVIEBVBPQ-CYBMUJFWSA-N 1 3 326.441 -0.591 20 0 EBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996621208 726420394 /nfs/dbraw/zinc/42/03/94/726420394.db2.gz QHVAXQYLNCYCNB-JKSUJKDBSA-N 1 3 348.451 -0.278 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996853 726434433 /nfs/dbraw/zinc/43/44/33/726434433.db2.gz ADODNVUPVILVJP-TZMCWYRMSA-N 1 3 336.436 -0.286 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996849 726434456 /nfs/dbraw/zinc/43/44/56/726434456.db2.gz ADODNVUPVILVJP-OCCSQVGLSA-N 1 3 336.436 -0.286 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC000999488895 726520711 /nfs/dbraw/zinc/52/07/11/726520711.db2.gz HHWONGVGAZKTCJ-ZIAGYGMSSA-N 1 3 325.457 -0.068 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)cn1 ZINC001000429369 726566807 /nfs/dbraw/zinc/56/68/07/726566807.db2.gz CEQXQJYQUZMNKL-LSDHHAIUSA-N 1 3 348.451 -0.473 20 0 EBADHO O=C(NCC1CCN(CCN2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001002042169 726630610 /nfs/dbraw/zinc/63/06/10/726630610.db2.gz BUXGFZPOHHMBEG-UHFFFAOYSA-N 1 3 349.479 -0.064 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001020178678 729092724 /nfs/dbraw/zinc/09/27/24/729092724.db2.gz AYIUDVDCPDKZQY-VGWMRTNUSA-N 1 3 333.436 -0.017 20 0 EBADHO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020406045 729159984 /nfs/dbraw/zinc/15/99/84/729159984.db2.gz JGVYSWKBHWBMGT-GUKIMBLNSA-N 1 3 346.435 -0.585 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020586682 729204721 /nfs/dbraw/zinc/20/47/21/729204721.db2.gz VVVBKWTZNINKHH-MGPQQGTHSA-N 1 3 336.436 -0.144 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025975778 730114042 /nfs/dbraw/zinc/11/40/42/730114042.db2.gz RLJHOCGJNAUNIP-SFYOKDCNSA-N 1 3 348.447 -0.432 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@H+]1C ZINC001025975778 730114043 /nfs/dbraw/zinc/11/40/43/730114043.db2.gz RLJHOCGJNAUNIP-SFYOKDCNSA-N 1 3 348.447 -0.432 20 0 EBADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001025973935 730114217 /nfs/dbraw/zinc/11/42/17/730114217.db2.gz TUEWJSYMANNRCG-MRLBHPIUSA-N 1 3 338.452 -0.724 20 0 EBADHO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001025973935 730114218 /nfs/dbraw/zinc/11/42/18/730114218.db2.gz TUEWJSYMANNRCG-MRLBHPIUSA-N 1 3 338.452 -0.724 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043627 730117546 /nfs/dbraw/zinc/11/75/46/730117546.db2.gz VHHSFRDEOWHRDU-WSGDXGOYSA-N 1 3 334.420 -0.820 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043627 730117547 /nfs/dbraw/zinc/11/75/47/730117547.db2.gz VHHSFRDEOWHRDU-WSGDXGOYSA-N 1 3 334.420 -0.820 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026044118 730117722 /nfs/dbraw/zinc/11/77/22/730117722.db2.gz KNHDXQDIHZZQAI-XPABHHOTSA-N 1 3 335.452 -0.744 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026044118 730117724 /nfs/dbraw/zinc/11/77/24/730117724.db2.gz KNHDXQDIHZZQAI-XPABHHOTSA-N 1 3 335.452 -0.744 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026044114 730117863 /nfs/dbraw/zinc/11/78/63/730117863.db2.gz KNHDXQDIHZZQAI-SEBNEYGDSA-N 1 3 335.452 -0.744 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026044114 730117864 /nfs/dbraw/zinc/11/78/64/730117864.db2.gz KNHDXQDIHZZQAI-SEBNEYGDSA-N 1 3 335.452 -0.744 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001027091674 730187522 /nfs/dbraw/zinc/18/75/22/730187522.db2.gz RPUHLMLIBOZGQT-OLZOCXBDSA-N 1 3 340.449 -0.175 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029151908 730391428 /nfs/dbraw/zinc/39/14/28/730391428.db2.gz CIUWYPHCPXPVFL-SMDDNHRTSA-N 1 3 347.419 -0.026 20 0 EBADHO C[NH+]1CCC(C(=O)NCC2CN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001031949469 730796509 /nfs/dbraw/zinc/79/65/09/730796509.db2.gz SZNWJWOLDOCMFY-MRXNPFEDSA-N 1 3 335.452 -0.366 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001040797614 731879107 /nfs/dbraw/zinc/87/91/07/731879107.db2.gz KLBNJBURWWHJQO-RDJZCZTQSA-N 1 3 342.484 -0.396 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3CCN(CCO)[C@@H]3C2)n1 ZINC001042064508 732293627 /nfs/dbraw/zinc/29/36/27/732293627.db2.gz HEIWZLQXDBIFNV-GDBMZVCRSA-N 1 3 335.452 -0.027 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115326 732764487 /nfs/dbraw/zinc/76/44/87/732764487.db2.gz GYOVEKKAZCAVIY-ZIAGYGMSSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043115326 732764489 /nfs/dbraw/zinc/76/44/89/732764489.db2.gz GYOVEKKAZCAVIY-ZIAGYGMSSA-N 1 3 338.452 -0.888 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043115580 732765116 /nfs/dbraw/zinc/76/51/16/732765116.db2.gz IKZKSNSSFVQSHT-KBPBESRZSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043115580 732765119 /nfs/dbraw/zinc/76/51/19/732765119.db2.gz IKZKSNSSFVQSHT-KBPBESRZSA-N 1 3 340.468 -0.786 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061605910 738645944 /nfs/dbraw/zinc/64/59/44/738645944.db2.gz ZWRCWNPOGQQGDC-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043417208 732924845 /nfs/dbraw/zinc/92/48/45/732924845.db2.gz WJURXLACMSLBDN-ZIAGYGMSSA-N 1 3 340.468 -0.500 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461649 732952829 /nfs/dbraw/zinc/95/28/29/732952829.db2.gz FFXMAQZUIIGFER-HNNXBMFYSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043678968 733056767 /nfs/dbraw/zinc/05/67/67/733056767.db2.gz VNFGDMMUPUJJPF-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043678968 733056770 /nfs/dbraw/zinc/05/67/70/733056770.db2.gz VNFGDMMUPUJJPF-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043710594 733071419 /nfs/dbraw/zinc/07/14/19/733071419.db2.gz IFQCRCMYMXQANT-UHFFFAOYSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)[C@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001061657798 738677440 /nfs/dbraw/zinc/67/74/40/738677440.db2.gz DJERPSBLFMCAQD-ZBFHGGJFSA-N 1 3 340.468 -0.378 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001044298137 733364573 /nfs/dbraw/zinc/36/45/73/733364573.db2.gz IJGFGPRMCGBOKA-UHFFFAOYSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001044298547 733365864 /nfs/dbraw/zinc/36/58/64/733365864.db2.gz NMBZIVOUTQAABE-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001044298547 733365870 /nfs/dbraw/zinc/36/58/70/733365870.db2.gz NMBZIVOUTQAABE-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001061726992 738726887 /nfs/dbraw/zinc/72/68/87/738726887.db2.gz VOUMSNIAVAWDTJ-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046684304 734002953 /nfs/dbraw/zinc/00/29/53/734002953.db2.gz GSDCZBQHCQRPIS-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046684304 734002955 /nfs/dbraw/zinc/00/29/55/734002955.db2.gz GSDCZBQHCQRPIS-KGLIPLIRSA-N 1 3 340.468 -0.785 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061907150 738809656 /nfs/dbraw/zinc/80/96/56/738809656.db2.gz BHQUXWHUVOMNMC-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048823411 734525756 /nfs/dbraw/zinc/52/57/56/734525756.db2.gz CGZRFPOYAXJRJG-HNKHHVNMSA-N 1 3 334.464 -0.147 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)CCC1 ZINC001048860523 734542522 /nfs/dbraw/zinc/54/25/22/734542522.db2.gz YDDJQGQXYFRQSZ-MJBXVCDLSA-N 1 3 348.447 -0.334 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)CCC1 ZINC001048860523 734542526 /nfs/dbraw/zinc/54/25/26/734542526.db2.gz YDDJQGQXYFRQSZ-MJBXVCDLSA-N 1 3 348.447 -0.334 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)N(C)C ZINC001048891933 734560102 /nfs/dbraw/zinc/56/01/02/734560102.db2.gz WVIOQEVQZWMKAB-XJFOESAGSA-N 1 3 336.436 -0.478 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)N(C)C ZINC001048891933 734560104 /nfs/dbraw/zinc/56/01/04/734560104.db2.gz WVIOQEVQZWMKAB-XJFOESAGSA-N 1 3 336.436 -0.478 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049056864 734628890 /nfs/dbraw/zinc/62/88/90/734628890.db2.gz CARAYBIELNVRHO-HRCADAONSA-N 1 3 349.479 -0.114 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049056864 734628894 /nfs/dbraw/zinc/62/88/94/734628894.db2.gz CARAYBIELNVRHO-HRCADAONSA-N 1 3 349.479 -0.114 20 0 EBADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049215239 734687573 /nfs/dbraw/zinc/68/75/73/734687573.db2.gz PMQPIDUDHCRWAU-ZQDZILKHSA-N 1 3 334.464 -0.005 20 0 EBADHO 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CC(C)N1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057587838 737346868 /nfs/dbraw/zinc/34/68/68/737346868.db2.gz MVVKMGJJPWAKGX-OAHLLOKOSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632304 737371362 /nfs/dbraw/zinc/37/13/62/737371362.db2.gz LVVRZVDSCUPFFX-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632304 737371368 /nfs/dbraw/zinc/37/13/68/737371368.db2.gz LVVRZVDSCUPFFX-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CN(C)C1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001057636633 737376775 /nfs/dbraw/zinc/37/67/75/737376775.db2.gz VRVBSKNKRCSVHT-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)C1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001057636633 737376777 /nfs/dbraw/zinc/37/67/77/737376777.db2.gz VRVBSKNKRCSVHT-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636726 737376924 /nfs/dbraw/zinc/37/69/24/737376924.db2.gz XMXKRYVDVGAVAF-CQSZACIVSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636726 737376930 /nfs/dbraw/zinc/37/69/30/737376930.db2.gz XMXKRYVDVGAVAF-CQSZACIVSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001057659775 737397045 /nfs/dbraw/zinc/39/70/45/737397045.db2.gz YYEKGSXBOTYYHO-UHFFFAOYSA-N 1 3 330.473 -0.393 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC ZINC001057659775 737397050 /nfs/dbraw/zinc/39/70/50/737397050.db2.gz YYEKGSXBOTYYHO-UHFFFAOYSA-N 1 3 330.473 -0.393 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC001057876396 737495406 /nfs/dbraw/zinc/49/54/06/737495406.db2.gz IODPAHAIDGONEW-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876803 737496673 /nfs/dbraw/zinc/49/66/73/737496673.db2.gz SCKHMZCNZNPABB-INIZCTEOSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001057882046 737501522 /nfs/dbraw/zinc/50/15/22/737501522.db2.gz AQPRYMIXPHJMIA-GJZGRUSLSA-N 1 3 344.500 -0.150 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C ZINC001058236723 737726995 /nfs/dbraw/zinc/72/69/95/737726995.db2.gz CVFXURHDNQFKPT-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001058250849 737733950 /nfs/dbraw/zinc/73/39/50/737733950.db2.gz KUQFSQDCRJQAQJ-MRXNPFEDSA-N 1 3 344.500 -0.150 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948769 738088212 /nfs/dbraw/zinc/08/82/12/738088212.db2.gz DHZUSHMSUOYNOW-OCCSQVGLSA-N 1 3 337.424 -0.913 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948769 738088214 /nfs/dbraw/zinc/08/82/14/738088214.db2.gz DHZUSHMSUOYNOW-OCCSQVGLSA-N 1 3 337.424 -0.913 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948770 738088546 /nfs/dbraw/zinc/08/85/46/738088546.db2.gz DHZUSHMSUOYNOW-TZMCWYRMSA-N 1 3 337.424 -0.913 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948770 738088550 /nfs/dbraw/zinc/08/85/50/738088550.db2.gz DHZUSHMSUOYNOW-TZMCWYRMSA-N 1 3 337.424 -0.913 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948469 738088949 /nfs/dbraw/zinc/08/89/49/738088949.db2.gz YWCJTKPIWIOUPA-UHFFFAOYSA-N 1 3 325.413 -0.769 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948469 738088952 /nfs/dbraw/zinc/08/89/52/738088952.db2.gz YWCJTKPIWIOUPA-UHFFFAOYSA-N 1 3 325.413 -0.769 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065254963 739615602 /nfs/dbraw/zinc/61/56/02/739615602.db2.gz AVWJNODCMDMRIJ-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001065259363 739616946 /nfs/dbraw/zinc/61/69/46/739616946.db2.gz AIWBSFOOCYGPPC-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001065260095 739617515 /nfs/dbraw/zinc/61/75/15/739617515.db2.gz IAWFKNNNHTZYCZ-GDBMZVCRSA-N 1 3 340.468 -0.378 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001068469323 740336608 /nfs/dbraw/zinc/33/66/08/740336608.db2.gz AUSUQDWMTHXPPQ-UHFFFAOYSA-N 1 3 349.435 -0.266 20 0 EBADHO COC[C@H](C)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070095076 740694677 /nfs/dbraw/zinc/69/46/77/740694677.db2.gz UCRXDSGOKAXFKW-ZNMIVQPWSA-N 1 3 336.440 -0.250 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C)C(N)=O ZINC001074959622 742146719 /nfs/dbraw/zinc/14/67/19/742146719.db2.gz WXSHICHMJYVOED-DYEKYZERSA-N 1 3 336.440 -0.489 20 0 EBADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001078411391 743636765 /nfs/dbraw/zinc/63/67/65/743636765.db2.gz LKRLUYAOZYUNTL-UONOGXRCSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391968 805880685 /nfs/dbraw/zinc/88/06/85/805880685.db2.gz UKQPVDVUVHQRAG-QWHCGFSZSA-N 1 3 337.424 -0.977 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980391968 805880695 /nfs/dbraw/zinc/88/06/95/805880695.db2.gz UKQPVDVUVHQRAG-QWHCGFSZSA-N 1 3 337.424 -0.977 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977197499 804205488 /nfs/dbraw/zinc/20/54/88/804205488.db2.gz SUOFIQZFFARBST-NMNMXBMNSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000977197499 804205497 /nfs/dbraw/zinc/20/54/97/804205497.db2.gz SUOFIQZFFARBST-NMNMXBMNSA-N 1 3 334.464 -0.005 20 0 EBADHO Cc1nc(CN[C@H](C)[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC000979446085 805383889 /nfs/dbraw/zinc/38/38/89/805383889.db2.gz JUTIDVVTLZPRQV-TZMCWYRMSA-N 1 3 348.451 -0.086 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCCS(C)(=O)=O ZINC001214645716 810269068 /nfs/dbraw/zinc/26/90/68/810269068.db2.gz GILDWQNXEMPICL-VHDGCEQUSA-N 1 3 343.493 -0.191 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001214952661 810294401 /nfs/dbraw/zinc/29/44/01/810294401.db2.gz GVSJSYHHQCZHAJ-RBSFLKMASA-N 1 3 342.484 -0.084 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001214952543 810295222 /nfs/dbraw/zinc/29/52/22/810295222.db2.gz AHJZNTQOJCFPHR-MGPQQGTHSA-N 1 3 348.513 -0.346 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001215455690 810329328 /nfs/dbraw/zinc/32/93/28/810329328.db2.gz BVAGORBLGGWGSL-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456073 810330350 /nfs/dbraw/zinc/33/03/50/810330350.db2.gz MAFFXGPVXBFTEK-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001215516824 810333813 /nfs/dbraw/zinc/33/38/13/810333813.db2.gz WQNCTDLXBRFOHL-JHJVBQTASA-N 1 3 341.456 -0.262 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571297 810335697 /nfs/dbraw/zinc/33/56/97/810335697.db2.gz JJUPSPZHNLXBPO-UPJWGTAASA-N 1 3 341.456 -0.391 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001215571243 810336107 /nfs/dbraw/zinc/33/61/07/810336107.db2.gz GVSJSYHHQCZHAJ-KFWWJZLASA-N 1 3 342.484 -0.084 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001215681401 810339194 /nfs/dbraw/zinc/33/91/94/810339194.db2.gz XUKRVGUUBLFBFD-VHDGCEQUSA-N 1 3 349.435 -0.628 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215994306 810354772 /nfs/dbraw/zinc/35/47/72/810354772.db2.gz ZTNLOFOQOPXUAH-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216910 810364459 /nfs/dbraw/zinc/36/44/59/810364459.db2.gz FIFGRWVECPNTNF-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216216910 810364462 /nfs/dbraw/zinc/36/44/62/810364462.db2.gz FIFGRWVECPNTNF-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001216511560 810375691 /nfs/dbraw/zinc/37/56/91/810375691.db2.gz UDGKSZRKCMLKQP-JHJVBQTASA-N 1 3 341.456 -0.262 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001216511560 810375696 /nfs/dbraw/zinc/37/56/96/810375696.db2.gz UDGKSZRKCMLKQP-JHJVBQTASA-N 1 3 341.456 -0.262 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853901 810396172 /nfs/dbraw/zinc/39/61/72/810396172.db2.gz OGEYMOZCWIOFTN-FRRDWIJNSA-N 1 3 341.456 -0.393 20 0 EBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2COC3(C[NH2+]C3)C2)c1 ZINC001218062691 810474082 /nfs/dbraw/zinc/47/40/82/810474082.db2.gz ORZXGIYPOWNQLS-OLZOCXBDSA-N 1 3 335.404 -0.140 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218064985 810474756 /nfs/dbraw/zinc/47/47/56/810474756.db2.gz CEIRBTSFVVKESQ-DTWKUNHWSA-N 1 3 342.371 -0.161 20 0 EBADHO O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001218510705 810496807 /nfs/dbraw/zinc/49/68/07/810496807.db2.gz NCSXLXKLTJPXTA-CYBMUJFWSA-N 1 3 345.403 -0.699 20 0 EBADHO CC(=O)N1CCC(n2nccc2NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001218734726 810525543 /nfs/dbraw/zinc/52/55/43/810525543.db2.gz KZVGPHAWDPDVRX-CQSZACIVSA-N 1 3 346.435 -0.186 20 0 EBADHO N[C@@H](C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C1CC[NH2+]CC1 ZINC001218873295 810538342 /nfs/dbraw/zinc/53/83/42/810538342.db2.gz IHBAPMGOGKBSFP-MRXNPFEDSA-N 1 3 331.420 -0.112 20 0 EBADHO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218915923 810543772 /nfs/dbraw/zinc/54/37/72/810543772.db2.gz VCKDUIIGCPMFSQ-YMTOWFKASA-N 1 3 339.421 -0.946 20 0 EBADHO C[S@@](=O)CC[C@H](N)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788978 810841599 /nfs/dbraw/zinc/84/15/99/810841599.db2.gz ULYFVTOXRZKMAG-AHASJALOSA-N 1 3 326.466 -0.190 20 0 EBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839356 810872070 /nfs/dbraw/zinc/87/20/70/810872070.db2.gz YWZACXLOJYWOJW-RZLSGREXSA-N 1 3 329.416 -0.165 20 0 EBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839354 810872155 /nfs/dbraw/zinc/87/21/55/810872155.db2.gz YWZACXLOJYWOJW-HOSILWTGSA-N 1 3 329.416 -0.165 20 0 EBADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1CNCC2 ZINC001219845294 810875734 /nfs/dbraw/zinc/87/57/34/810875734.db2.gz VSXMCYSXHYIXBN-BDJLRTHQSA-N 1 3 335.408 -0.820 20 0 EBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219848094 810878552 /nfs/dbraw/zinc/87/85/52/810878552.db2.gz WOAUOYMGWQJAMW-ZOBORPQBSA-N 1 3 346.435 -0.835 20 0 EBADHO COC[C@@H](O)CN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949607 810920805 /nfs/dbraw/zinc/92/08/05/810920805.db2.gz MFVYACHBVPKWST-ZNMIVQPWSA-N 1 3 334.376 -0.884 20 0 EBADHO COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(OC)cc1 ZINC001219975368 810932973 /nfs/dbraw/zinc/93/29/73/810932973.db2.gz RFUVDQKBZFIJIT-KGLIPLIRSA-N 1 3 333.388 -0.166 20 0 EBADHO COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)CC[NH2+]CC1 ZINC001220001051 810942183 /nfs/dbraw/zinc/94/21/83/810942183.db2.gz FKZUEWDCUUXYED-RYUDHWBXSA-N 1 3 342.440 -0.724 20 0 EBADHO CC(C)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220160382 811004692 /nfs/dbraw/zinc/00/46/92/811004692.db2.gz YLEIGRLSAGHUCG-GJZGRUSLSA-N 1 3 339.484 -0.358 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220276563 811043041 /nfs/dbraw/zinc/04/30/41/811043041.db2.gz FKBPLBWBEMCJNR-MCIONIFRSA-N 1 3 326.441 -0.984 20 0 EBADHO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220456289 811113927 /nfs/dbraw/zinc/11/39/27/811113927.db2.gz JPZZAWDZZFVIQU-CABCVRRESA-N 1 3 347.415 -0.330 20 0 EBADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H](N)CN)cc2)CC1 ZINC001220516152 811134347 /nfs/dbraw/zinc/13/43/47/811134347.db2.gz QBQYUVIMEJJVKK-LPXQKFACSA-N 1 3 333.436 -0.005 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cccnc1 ZINC001220529627 811141727 /nfs/dbraw/zinc/14/17/27/811141727.db2.gz GXUFDTPVQCRKBJ-RYUDHWBXSA-N 1 3 326.422 -0.179 20 0 EBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001220583624 811166392 /nfs/dbraw/zinc/16/63/92/811166392.db2.gz RLUHFSCKWRCPAG-LLVKDONJSA-N 1 3 331.413 -0.214 20 0 EBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)C(N)=O ZINC001220780988 811238965 /nfs/dbraw/zinc/23/89/65/811238965.db2.gz QWLPPXAZDYMLPS-TZCMFKBTSA-N 1 3 339.440 -0.996 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789332 811243831 /nfs/dbraw/zinc/24/38/31/811243831.db2.gz KMWUCVRTCDDNEZ-BFHYXJOUSA-N 1 3 334.424 -0.376 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801504 811245928 /nfs/dbraw/zinc/24/59/28/811245928.db2.gz ZYEYUFMLEBWOKD-DJLDLDEBSA-N 1 3 325.335 -0.581 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801512 811246414 /nfs/dbraw/zinc/24/64/14/811246414.db2.gz ZYEYUFMLEBWOKD-YIZRAAEISA-N 1 3 325.335 -0.581 20 0 EBADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903583 811288273 /nfs/dbraw/zinc/28/82/73/811288273.db2.gz XFXPQILWCBEQOJ-AWEZNQCLSA-N 1 3 342.375 -0.250 20 0 EBADHO CCN(CC)C(=O)N1CCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001220911508 811291766 /nfs/dbraw/zinc/29/17/66/811291766.db2.gz QJCUAJYYNRJPMA-AWEZNQCLSA-N 1 3 337.468 -0.162 20 0 EBADHO O=C(N[C@H]1CCN(Cc2cccnc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220915382 811293370 /nfs/dbraw/zinc/29/33/70/811293370.db2.gz YMEYBFBNIJVMDE-SOLBZPMBSA-N 1 3 329.448 -0.029 20 0 EBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220960048 811312454 /nfs/dbraw/zinc/31/24/54/811312454.db2.gz GFLWMOJGWKPVNP-RDBSUJKOSA-N 1 3 339.436 -0.055 20 0 EBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220960048 811312459 /nfs/dbraw/zinc/31/24/59/811312459.db2.gz GFLWMOJGWKPVNP-RDBSUJKOSA-N 1 3 339.436 -0.055 20 0 EBADHO N[C@@]1(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)CC[NH2+]C1 ZINC001220970972 811317400 /nfs/dbraw/zinc/31/74/00/811317400.db2.gz NUPMIHYZHBLLBA-SFHVURJKSA-N 1 3 345.447 -0.687 20 0 EBADHO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001220982424 811324426 /nfs/dbraw/zinc/32/44/26/811324426.db2.gz FLDRCZPZBQZCGJ-HNNXBMFYSA-N 1 3 348.422 -0.068 20 0 EBADHO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001220982425 811324811 /nfs/dbraw/zinc/32/48/11/811324811.db2.gz FLDRCZPZBQZCGJ-OAHLLOKOSA-N 1 3 348.422 -0.068 20 0 EBADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001221006223 811340775 /nfs/dbraw/zinc/34/07/75/811340775.db2.gz CMXMRMKJTZWSJP-UMVBOHGHSA-N 1 3 326.441 -0.497 20 0 EBADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001221006257 811341303 /nfs/dbraw/zinc/34/13/03/811341303.db2.gz DBTRHQJMSUWTHP-VMUDFCTBSA-N 1 3 338.452 -0.625 20 0 EBADHO O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221408317 811452835 /nfs/dbraw/zinc/45/28/35/811452835.db2.gz IHXCJQCREAPIMD-STQMWFEESA-N 1 3 327.450 -0.733 20 0 EBADHO CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791366 811535674 /nfs/dbraw/zinc/53/56/74/811535674.db2.gz IHVROZCWKUUKBQ-HZPDHXFCSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001226923081 811891023 /nfs/dbraw/zinc/89/10/23/811891023.db2.gz ZRSVGXLAHQODPH-BZPMIXESSA-N 1 3 341.456 -0.216 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001227408057 811920336 /nfs/dbraw/zinc/92/03/36/811920336.db2.gz DUTGLKZRJVDXPI-MRXNPFEDSA-N 1 3 325.453 -0.082 20 0 EBADHO CC[C@H](C(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1)N(C)C ZINC001227986374 811953759 /nfs/dbraw/zinc/95/37/59/811953759.db2.gz FPDUZHOMPSQFLW-JKSUJKDBSA-N 1 3 345.484 -0.069 20 0 EBADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001228262633 811972220 /nfs/dbraw/zinc/97/22/20/811972220.db2.gz WBIOULYTZFGBBJ-VXGBXAGGSA-N 1 3 327.429 -0.460 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001229877716 812061252 /nfs/dbraw/zinc/06/12/52/812061252.db2.gz YLSFMMMKNCILIW-JHJVBQTASA-N 1 3 341.456 -0.071 20 0 EBADHO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC001230275258 812095815 /nfs/dbraw/zinc/09/58/15/812095815.db2.gz KGCGURXXJHRBKD-DZGCQCFKSA-N 1 3 340.468 -0.201 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080989018 812427991 /nfs/dbraw/zinc/42/79/91/812427991.db2.gz LHSFTUWEQUCHOY-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC(N4CC[C@@H]([NH3+])C4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236617625 812518574 /nfs/dbraw/zinc/51/85/74/812518574.db2.gz WVPGZIYMUPRKDL-GAUGTXIDSA-N 1 3 341.452 -0.279 20 0 EBADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001238878287 812534433 /nfs/dbraw/zinc/53/44/33/812534433.db2.gz BOPHZTINRGDFBF-UHFFFAOYSA-N 1 3 342.421 -0.376 20 0 EBADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)CCN)C2 ZINC001239076850 812540895 /nfs/dbraw/zinc/54/08/95/812540895.db2.gz GPBDAKNCXXZKOW-LSDHHAIUSA-N 1 3 331.482 -0.045 20 0 EBADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)CCN)C2 ZINC001239076850 812540901 /nfs/dbraw/zinc/54/09/01/812540901.db2.gz GPBDAKNCXXZKOW-LSDHHAIUSA-N 1 3 331.482 -0.045 20 0 EBADHO OCCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001245973283 812557647 /nfs/dbraw/zinc/55/76/47/812557647.db2.gz JVPBFPPOJJVAAQ-BHYGNILZSA-N 1 3 342.411 -0.387 20 0 EBADHO COC(=O)[C@@H]1C[C@H](NC2CN(C3CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246218847 812568594 /nfs/dbraw/zinc/56/85/94/812568594.db2.gz UNSPSKBYPLNNRU-SHHSBJBSSA-N 1 3 339.436 -0.247 20 0 EBADHO c1cnn(Cc2nnc3n2CCN([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246778224 812587373 /nfs/dbraw/zinc/58/73/73/812587373.db2.gz PIXVEAMHVNEXTF-CQSZACIVSA-N 1 3 342.451 -0.525 20 0 EBADHO COC(=O)C(Cc1cn(CCCC[NH2+]CCCN)nn1)C(=O)OC ZINC001254164883 812697612 /nfs/dbraw/zinc/69/76/12/812697612.db2.gz ZUBJZUSDSAYPOR-UHFFFAOYSA-N 1 3 341.412 -0.499 20 0 EBADHO OCCN(CCO)CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677756 812736994 /nfs/dbraw/zinc/73/69/94/812736994.db2.gz IEHWAZREBAMIFB-UHFFFAOYSA-N 1 3 329.485 -0.104 20 0 EBADHO CN1CCN(C[C@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC001261436661 812905954 /nfs/dbraw/zinc/90/59/54/812905954.db2.gz IEKLUPIINBYITP-QZTJIDSGSA-N 1 3 340.512 -0.172 20 0 EBADHO C[C@@H](O)CN1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001265253435 813276459 /nfs/dbraw/zinc/27/64/59/813276459.db2.gz PSIZFLBXRRZHIS-HZPDHXFCSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@@H](O)CN1CCN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001265253435 813276463 /nfs/dbraw/zinc/27/64/63/813276463.db2.gz PSIZFLBXRRZHIS-HZPDHXFCSA-N 1 3 326.485 -0.167 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081634853 813337717 /nfs/dbraw/zinc/33/77/17/813337717.db2.gz NFBXJLPXQMEFIV-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001265881777 813402136 /nfs/dbraw/zinc/40/21/36/813402136.db2.gz OPPQZNRLVQDSQM-LSDHHAIUSA-N 1 3 342.484 -0.491 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001081773890 813539273 /nfs/dbraw/zinc/53/92/73/813539273.db2.gz HOZHQABRNXBDMN-TZMCWYRMSA-N 1 3 337.424 -0.771 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001081773890 813539280 /nfs/dbraw/zinc/53/92/80/813539280.db2.gz HOZHQABRNXBDMN-TZMCWYRMSA-N 1 3 337.424 -0.771 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001266566024 813611412 /nfs/dbraw/zinc/61/14/12/813611412.db2.gz YKBVLFHAINXVMM-ZDUSSCGKSA-N 1 3 337.424 -0.785 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001267018602 813736233 /nfs/dbraw/zinc/73/62/33/813736233.db2.gz FARFWTRALYEMHM-ZBFHGGJFSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001267044172 813745349 /nfs/dbraw/zinc/74/53/49/813745349.db2.gz GYPYAANMTYSWIJ-ZDUSSCGKSA-N 1 3 331.482 -0.047 20 0 EBADHO CNC(=O)NC(=O)C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001267308296 813841787 /nfs/dbraw/zinc/84/17/87/813841787.db2.gz SLWDBPFBKXGBGA-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)C[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001267308296 813841793 /nfs/dbraw/zinc/84/17/93/813841793.db2.gz SLWDBPFBKXGBGA-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001267388106 813871329 /nfs/dbraw/zinc/87/13/29/813871329.db2.gz XXOZCYGTLYWQMP-AWEZNQCLSA-N 1 3 341.456 -0.391 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001267450183 813899821 /nfs/dbraw/zinc/89/98/21/813899821.db2.gz NJKUZLUDOIQWNL-CQSZACIVSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001082589098 813974601 /nfs/dbraw/zinc/97/46/01/813974601.db2.gz IGTICYOUIRQPDO-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268591258 814308593 /nfs/dbraw/zinc/30/85/93/814308593.db2.gz PQCLILOSDOLUCF-AAOUONPWSA-N 1 3 325.413 -0.954 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268591258 814308602 /nfs/dbraw/zinc/30/86/02/814308602.db2.gz PQCLILOSDOLUCF-AAOUONPWSA-N 1 3 325.413 -0.954 20 0 EBADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001268848147 814412489 /nfs/dbraw/zinc/41/24/89/814412489.db2.gz RSBJEFADTLZCBA-VXGBXAGGSA-N 1 3 327.429 -0.650 20 0 EBADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001268997113 814468134 /nfs/dbraw/zinc/46/81/34/814468134.db2.gz VJZFQKXLEROXGK-UHFFFAOYSA-N 1 3 338.456 -0.786 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083749875 814754026 /nfs/dbraw/zinc/75/40/26/814754026.db2.gz VFTHQASJOYMGNI-IMJJTQAJSA-N 1 3 325.453 -0.084 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001270136340 815697982 /nfs/dbraw/zinc/69/79/82/815697982.db2.gz HTSARZWLUDQEPV-ZDUSSCGKSA-N 1 3 348.407 -0.525 20 0 EBADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3cnccc3N)C2)OCC1=O ZINC001272808218 816527150 /nfs/dbraw/zinc/52/71/50/816527150.db2.gz IAYKNMGZUKRKLB-QGZVFWFLSA-N 1 3 333.436 -0.141 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1CCN1C(=O)CNC1=O ZINC001088493530 816691158 /nfs/dbraw/zinc/69/11/58/816691158.db2.gz OFCDZQGPTGONCT-FRRDWIJNSA-N 1 3 337.424 -0.789 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CCN1C(=O)CNC1=O ZINC001088493530 816691161 /nfs/dbraw/zinc/69/11/61/816691161.db2.gz OFCDZQGPTGONCT-FRRDWIJNSA-N 1 3 337.424 -0.789 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910744 816806838 /nfs/dbraw/zinc/80/68/38/816806838.db2.gz KNTLFIRGGINJRK-RDJZCZTQSA-N 1 3 343.468 -0.720 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001274076492 816861442 /nfs/dbraw/zinc/86/14/42/816861442.db2.gz PSTVGDDQJYMFIZ-KBIGUFJUSA-N 1 3 336.436 -0.072 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001274076492 816861446 /nfs/dbraw/zinc/86/14/46/816861446.db2.gz PSTVGDDQJYMFIZ-KBIGUFJUSA-N 1 3 336.436 -0.072 20 0 EBADHO NC(=O)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089892436 816934004 /nfs/dbraw/zinc/93/40/04/816934004.db2.gz JPMHOAXPJKAKGA-AJNGGQMLSA-N 1 3 332.448 -0.264 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C/CNCc1cnnn1C ZINC001274578455 817020717 /nfs/dbraw/zinc/02/07/17/817020717.db2.gz IEPNGTLCTMBIFQ-RDFMZFSFSA-N 1 3 336.440 -0.455 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CCCF)C[C@H]2O)n1 ZINC001090270897 817212145 /nfs/dbraw/zinc/21/21/45/817212145.db2.gz CVSSEUNSTPGEKC-DZGCQCFKSA-N 1 3 341.431 -0.031 20 0 EBADHO O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356026 817297927 /nfs/dbraw/zinc/29/79/27/817297927.db2.gz TWVPFEMABKYNGS-GJZGRUSLSA-N 1 3 325.453 -0.204 20 0 EBADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)NC(N)=O ZINC001276075994 817353937 /nfs/dbraw/zinc/35/39/37/817353937.db2.gz HKWUKDRKWNVBJJ-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO Cn1cc(CN2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)c(=O)n(C)c1=O ZINC001276321517 817385397 /nfs/dbraw/zinc/38/53/97/817385397.db2.gz LUZPAMBAKSBYCL-GASCZTMLSA-N 1 3 335.452 -0.706 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(CCCF)C[C@H]2O)cn1 ZINC001090637221 817602170 /nfs/dbraw/zinc/60/21/70/817602170.db2.gz IUQFIBQGWGGNAS-LSDHHAIUSA-N 1 3 341.431 -0.031 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001277778009 817635003 /nfs/dbraw/zinc/63/50/03/817635003.db2.gz YUAXAMOZLLPCOQ-KBPBESRZSA-N 1 3 348.513 -0.154 20 0 EBADHO C[C@@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399176 817752333 /nfs/dbraw/zinc/75/23/33/817752333.db2.gz VATFDTVNUCYZOO-TZMCWYRMSA-N 1 3 346.497 -0.544 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001278424366 817759456 /nfs/dbraw/zinc/75/94/56/817759456.db2.gz QEAWXDUHSHPXJS-QWHCGFSZSA-N 1 3 334.486 -0.545 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691087 817795113 /nfs/dbraw/zinc/79/51/13/817795113.db2.gz XBVJMUZPAJDEMD-CHWSQXEVSA-N 1 3 338.452 -0.042 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999603 818010526 /nfs/dbraw/zinc/01/05/26/818010526.db2.gz NXGAQGZBPWRWDM-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094074813 818153108 /nfs/dbraw/zinc/15/31/08/818153108.db2.gz MRAIKGHDYCCXRX-NQBHXWOUSA-N 1 3 333.392 -0.559 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001283080825 818633091 /nfs/dbraw/zinc/63/30/91/818633091.db2.gz VYLNBCVFVGKMHM-IHRRRGAJSA-N 1 3 338.452 -0.040 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001284031133 819072843 /nfs/dbraw/zinc/07/28/43/819072843.db2.gz IZZNAXKKQGYHAU-UONOGXRCSA-N 1 3 348.513 -0.155 20 0 EBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001098392787 819167561 /nfs/dbraw/zinc/16/75/61/819167561.db2.gz YSUCYPDEDQXITE-BBRMVZONSA-N 1 3 327.469 -0.007 20 0 EBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001098392787 819167565 /nfs/dbraw/zinc/16/75/65/819167565.db2.gz YSUCYPDEDQXITE-BBRMVZONSA-N 1 3 327.469 -0.007 20 0 EBADHO CC1CCN(CC(=O)N2CCC([NH+](CCO)CCO)CC2)CC1 ZINC001098509539 819225406 /nfs/dbraw/zinc/22/54/06/819225406.db2.gz PCJYPPTXSITTBD-UHFFFAOYSA-N 1 3 327.469 -0.004 20 0 EBADHO COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572549 819251878 /nfs/dbraw/zinc/25/18/78/819251878.db2.gz OAODOWOQLGYUOG-INIZCTEOSA-N 1 3 345.484 -0.381 20 0 EBADHO COC[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572549 819251882 /nfs/dbraw/zinc/25/18/82/819251882.db2.gz OAODOWOQLGYUOG-INIZCTEOSA-N 1 3 345.484 -0.381 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001284877058 819386466 /nfs/dbraw/zinc/38/64/66/819386466.db2.gz SNIXTKFWKNJKIO-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001284877058 819386473 /nfs/dbraw/zinc/38/64/73/819386473.db2.gz SNIXTKFWKNJKIO-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCN2CCCC2=O)C[C@@H]1O ZINC001099988350 819995157 /nfs/dbraw/zinc/99/51/57/819995157.db2.gz HENFDTLKDPJUPG-GJZGRUSLSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001100678738 820508509 /nfs/dbraw/zinc/50/85/09/820508509.db2.gz VPJMUSZZCDVDFX-NFOMZHRRSA-N 1 3 337.468 -0.162 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100678743 820508650 /nfs/dbraw/zinc/50/86/50/820508650.db2.gz VRMCSZJMNFOIAK-VOMCLLRMSA-N 1 3 325.413 -0.993 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001100683501 820511418 /nfs/dbraw/zinc/51/14/18/820511418.db2.gz FKUPDEVDBPOQHA-NRXISQOPSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001100683932 820511707 /nfs/dbraw/zinc/51/17/07/820511707.db2.gz ZBSROAYZEXBMIM-NRXISQOPSA-N 1 3 342.484 -0.036 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001100769736 820546733 /nfs/dbraw/zinc/54/67/33/820546733.db2.gz YNKOWAOYWVGMKP-UHFFFAOYSA-N 1 3 348.513 -0.296 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H](N(C)C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001293683642 820809636 /nfs/dbraw/zinc/80/96/36/820809636.db2.gz BGUWIWVZBUWXHJ-GJZGRUSLSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292576 821060823 /nfs/dbraw/zinc/06/08/23/821060823.db2.gz UBNSSDDQOLMWSW-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486930 821123506 /nfs/dbraw/zinc/12/35/06/821123506.db2.gz BWVRATHHTBKITB-MGPQQGTHSA-N 1 3 340.468 -0.345 20 0 EBADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511045 821132800 /nfs/dbraw/zinc/13/28/00/821132800.db2.gz HECKQHQGJYGZMI-ZIAGYGMSSA-N 1 3 340.468 -0.473 20 0 EBADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513273 821134672 /nfs/dbraw/zinc/13/46/72/821134672.db2.gz CJDJXTDKKWDROJ-MGPQQGTHSA-N 1 3 328.457 -0.487 20 0 EBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398563 821306556 /nfs/dbraw/zinc/30/65/56/821306556.db2.gz YONOZKMCYFGBIV-VXGBXAGGSA-N 1 3 327.429 -0.793 20 0 EBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718739 821345083 /nfs/dbraw/zinc/34/50/83/821345083.db2.gz CUHQCTQLHRDROM-UPJWGTAASA-N 1 3 339.440 -0.793 20 0 EBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718739 821345091 /nfs/dbraw/zinc/34/50/91/821345091.db2.gz CUHQCTQLHRDROM-UPJWGTAASA-N 1 3 339.440 -0.793 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001317306688 822077425 /nfs/dbraw/zinc/07/74/25/822077425.db2.gz DETRTGXGOQAPLH-AWEZNQCLSA-N 1 3 346.497 -0.542 20 0 EBADHO C[NH+](C)CCC(=O)NCCC[C@@H]1CCCN1CC(=O)NC(N)=O ZINC001317437114 822107721 /nfs/dbraw/zinc/10/77/21/822107721.db2.gz UECJKIYDAZMEEG-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106705103 822315643 /nfs/dbraw/zinc/31/56/43/822315643.db2.gz RFBFFUYDFWKYQQ-VXGBXAGGSA-N 1 3 348.407 -0.812 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001128784515 828526579 /nfs/dbraw/zinc/52/65/79/828526579.db2.gz NQHUJNVLYWWWFV-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001128784515 828526583 /nfs/dbraw/zinc/52/65/83/828526583.db2.gz NQHUJNVLYWWWFV-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001128784517 828526663 /nfs/dbraw/zinc/52/66/63/828526663.db2.gz NQHUJNVLYWWWFV-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001128784517 828526666 /nfs/dbraw/zinc/52/66/66/828526666.db2.gz NQHUJNVLYWWWFV-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001128784513 828526738 /nfs/dbraw/zinc/52/67/38/828526738.db2.gz NQHUJNVLYWWWFV-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001128784513 828526740 /nfs/dbraw/zinc/52/67/40/828526740.db2.gz NQHUJNVLYWWWFV-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCCNS(=O)(=O)CC ZINC001128785739 828527095 /nfs/dbraw/zinc/52/70/95/828527095.db2.gz QZXZPHVGGKEWFB-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCCNS(=O)(=O)CC ZINC001128785739 828527101 /nfs/dbraw/zinc/52/71/01/828527101.db2.gz QZXZPHVGGKEWFB-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001107042449 823721209 /nfs/dbraw/zinc/72/12/09/823721209.db2.gz MZHNUHJSJCMQOC-JHJVBQTASA-N 1 3 341.456 -0.406 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001129338535 828600341 /nfs/dbraw/zinc/60/03/41/828600341.db2.gz BLHZYIMUMUHHRC-HNNXBMFYSA-N 1 3 340.468 -0.471 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001129338535 828600344 /nfs/dbraw/zinc/60/03/44/828600344.db2.gz BLHZYIMUMUHHRC-HNNXBMFYSA-N 1 3 340.468 -0.471 20 0 EBADHO CC[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364334 828605716 /nfs/dbraw/zinc/60/57/16/828605716.db2.gz SMNSFQHFFSFSKT-KGLIPLIRSA-N 1 3 326.441 -0.401 20 0 EBADHO CC[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129364334 828605722 /nfs/dbraw/zinc/60/57/22/828605722.db2.gz SMNSFQHFFSFSKT-KGLIPLIRSA-N 1 3 326.441 -0.401 20 0 EBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364162 828605776 /nfs/dbraw/zinc/60/57/76/828605776.db2.gz QFWNCIPSMQKAMT-HUUCEWRRSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364162 828605780 /nfs/dbraw/zinc/60/57/80/828605780.db2.gz QFWNCIPSMQKAMT-HUUCEWRRSA-N 1 3 338.452 -0.386 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129422139 828615798 /nfs/dbraw/zinc/61/57/98/828615798.db2.gz GGENAQNNZNRWTC-CQSZACIVSA-N 1 3 348.513 -0.106 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422139 828615802 /nfs/dbraw/zinc/61/58/02/828615802.db2.gz GGENAQNNZNRWTC-CQSZACIVSA-N 1 3 348.513 -0.106 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001129435491 828619050 /nfs/dbraw/zinc/61/90/50/828619050.db2.gz GUEKGSQBNKMPPY-ZDUSSCGKSA-N 1 3 332.470 -0.932 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1CC1 ZINC001129444329 828620091 /nfs/dbraw/zinc/62/00/91/828620091.db2.gz RMSBRVLMDLJCIX-CYBMUJFWSA-N 1 3 334.486 -0.686 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535215 828632444 /nfs/dbraw/zinc/63/24/44/828632444.db2.gz LNWBFYOJRVWTIF-UHFFFAOYSA-N 1 3 349.497 -0.372 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109672493 824583043 /nfs/dbraw/zinc/58/30/43/824583043.db2.gz HIZVCCBJXFDPSP-UGUYLWEFSA-N 1 3 335.452 -0.083 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856363 828682246 /nfs/dbraw/zinc/68/22/46/828682246.db2.gz PXKTUGOOLKMNFF-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856363 828682248 /nfs/dbraw/zinc/68/22/48/828682248.db2.gz PXKTUGOOLKMNFF-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129856561 828682576 /nfs/dbraw/zinc/68/25/76/828682576.db2.gz UFYJOLBJVBAWMN-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129856561 828682578 /nfs/dbraw/zinc/68/25/78/828682578.db2.gz UFYJOLBJVBAWMN-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO COCCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091408 828731392 /nfs/dbraw/zinc/73/13/92/828731392.db2.gz 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CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C ZINC001179987326 833031709 /nfs/dbraw/zinc/03/17/09/833031709.db2.gz PXARJZPOGUFZJL-JYJNAYRXSA-N 1 3 345.484 -0.069 20 0 EBADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115143351 826433033 /nfs/dbraw/zinc/43/30/33/826433033.db2.gz BGQMYHYDJGOSKK-IATRGZMQSA-N 1 3 336.436 -0.430 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001117920727 826824267 /nfs/dbraw/zinc/82/42/67/826824267.db2.gz KAUAISXNSVANGY-AWEZNQCLSA-N 1 3 328.457 -0.567 20 0 EBADHO CCO[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001118729156 826992186 /nfs/dbraw/zinc/99/21/86/826992186.db2.gz ZRLRJSQBGOVKKN-HDJSIYSDSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118739070 826993802 /nfs/dbraw/zinc/99/38/02/826993802.db2.gz HWPSMLXJHWOCOY-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001119365245 827103065 /nfs/dbraw/zinc/10/30/65/827103065.db2.gz LQNKPEYSOJIKEZ-CYBMUJFWSA-N 1 3 326.441 -0.401 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC001119420601 827106799 /nfs/dbraw/zinc/10/67/99/827106799.db2.gz IMKULQLZJDBYKQ-OAHLLOKOSA-N 1 3 337.468 -0.922 20 0 EBADHO CCO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001120438772 827221545 /nfs/dbraw/zinc/22/15/45/827221545.db2.gz KTRYJYORUAAMBU-AWEZNQCLSA-N 1 3 328.457 -0.424 20 0 EBADHO CN1CCC(O)(C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)CC1 ZINC001182030728 833195772 /nfs/dbraw/zinc/19/57/72/833195772.db2.gz FYZGSGQJCSXZJH-AWEZNQCLSA-N 1 3 335.452 -0.140 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866624 827969285 /nfs/dbraw/zinc/96/92/85/827969285.db2.gz HHNOJKSGTSNQPN-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229484 833284102 /nfs/dbraw/zinc/28/41/02/833284102.db2.gz KAHWPTDAVJRAKG-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001183240758 833284762 /nfs/dbraw/zinc/28/47/62/833284762.db2.gz RYTDQXQWLUXSHS-GFCCVEGCSA-N 1 3 332.470 -0.790 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001183268303 833285100 /nfs/dbraw/zinc/28/51/00/833285100.db2.gz SUWBLQSNKLVOIN-CHWSQXEVSA-N 1 3 332.470 -0.934 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183760394 833305056 /nfs/dbraw/zinc/30/50/56/833305056.db2.gz XNOOERVUWSWUOI-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183760394 833305057 /nfs/dbraw/zinc/30/50/57/833305057.db2.gz XNOOERVUWSWUOI-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001183759028 833305061 /nfs/dbraw/zinc/30/50/61/833305061.db2.gz DUDSVLACROWCMD-LLVKDONJSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001183759028 833305063 /nfs/dbraw/zinc/30/50/63/833305063.db2.gz DUDSVLACROWCMD-LLVKDONJSA-N 1 3 327.429 -0.637 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255352 828268683 /nfs/dbraw/zinc/26/86/83/828268683.db2.gz IVQQPJUGBJRRAM-CABCVRRESA-N 1 3 338.452 -0.575 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCOCC1 ZINC001127255352 828268688 /nfs/dbraw/zinc/26/86/88/828268688.db2.gz IVQQPJUGBJRRAM-CABCVRRESA-N 1 3 338.452 -0.575 20 0 EBADHO CC(C)(C(=O)NCC[NH2+]CCN1CCNC1=O)N1CCCCC1 ZINC001127322883 828278704 /nfs/dbraw/zinc/27/87/04/828278704.db2.gz ZXCOCIPVBGKWJC-UHFFFAOYSA-N 1 3 325.457 -0.018 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466629 828296164 /nfs/dbraw/zinc/29/61/64/828296164.db2.gz VQZDRXGRMHHORN-HIFRSBDPSA-N 1 3 340.468 -0.425 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571155 828303934 /nfs/dbraw/zinc/30/39/34/828303934.db2.gz MNPQKRRHYBUQIU-YUTCNCBUSA-N 1 3 326.441 -0.687 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001127706568 828315876 /nfs/dbraw/zinc/31/58/76/828315876.db2.gz NKENTBRBFZWAAN-SOUVJXGZSA-N 1 3 340.468 -0.425 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC[N@H+]1C ZINC001127706568 828315884 /nfs/dbraw/zinc/31/58/84/828315884.db2.gz NKENTBRBFZWAAN-SOUVJXGZSA-N 1 3 340.468 -0.425 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784983 828330785 /nfs/dbraw/zinc/33/07/85/828330785.db2.gz CUGRVABMXPLJKC-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784983 828330793 /nfs/dbraw/zinc/33/07/93/828330793.db2.gz CUGRVABMXPLJKC-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184432890 833329906 /nfs/dbraw/zinc/32/99/06/833329906.db2.gz ANNYWWHKEQCUQL-QJNCVLDKSA-N 1 3 339.436 -0.953 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184807142 833340788 /nfs/dbraw/zinc/34/07/88/833340788.db2.gz WGTMHIDLAHPHKK-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184867390 833342237 /nfs/dbraw/zinc/34/22/37/833342237.db2.gz DKTFYYAVWAQCTH-YNEHKIRRSA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213211 833350292 /nfs/dbraw/zinc/35/02/92/833350292.db2.gz JDBDXDNBGNQOSX-VXGBXAGGSA-N 1 3 339.440 -0.637 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401873 833357910 /nfs/dbraw/zinc/35/79/10/833357910.db2.gz XNPKYXKMYUMMKG-QWHCGFSZSA-N 1 3 341.456 -0.249 20 0 EBADHO CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001131519669 829151229 /nfs/dbraw/zinc/15/12/29/829151229.db2.gz IVKPTIKUYBZVGT-DLOXAQCQSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@@H](NCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519669 829151231 /nfs/dbraw/zinc/15/12/31/829151231.db2.gz IVKPTIKUYBZVGT-DLOXAQCQSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCC[C@@H](NCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519669 829151236 /nfs/dbraw/zinc/15/12/36/829151236.db2.gz IVKPTIKUYBZVGT-DLOXAQCQSA-N 1 3 336.436 -0.824 20 0 EBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519899 829152113 /nfs/dbraw/zinc/15/21/13/829152113.db2.gz NBAKFZZQWPCQLR-XCCIUEIHSA-N 1 3 338.452 -0.530 20 0 EBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519899 829152115 /nfs/dbraw/zinc/15/21/15/829152115.db2.gz NBAKFZZQWPCQLR-XCCIUEIHSA-N 1 3 338.452 -0.530 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001185722910 833368220 /nfs/dbraw/zinc/36/82/20/833368220.db2.gz DYODBTXEHHQFKO-LLVKDONJSA-N 1 3 327.429 -0.650 20 0 EBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519897 829152820 /nfs/dbraw/zinc/15/28/20/829152820.db2.gz NBAKFZZQWPCQLR-PEUXKQIOSA-N 1 3 338.452 -0.530 20 0 EBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519897 829152833 /nfs/dbraw/zinc/15/28/33/829152833.db2.gz NBAKFZZQWPCQLR-PEUXKQIOSA-N 1 3 338.452 -0.530 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001185918178 833377352 /nfs/dbraw/zinc/37/73/52/833377352.db2.gz KQJVUDVJMXHHBU-OCCSQVGLSA-N 1 3 335.408 -0.874 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790267 829217988 /nfs/dbraw/zinc/21/79/88/829217988.db2.gz KGRUFSPFXBNRGX-CYBMUJFWSA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790316 829218138 /nfs/dbraw/zinc/21/81/38/829218138.db2.gz LHGABWCPBCXDAS-JQWIXIFHSA-N 1 3 325.413 -0.850 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131844858 829243122 /nfs/dbraw/zinc/24/31/22/829243122.db2.gz OHPWDNGRIGJFBD-UHFFFAOYSA-N 1 3 348.513 -0.104 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186451423 833401992 /nfs/dbraw/zinc/40/19/92/833401992.db2.gz GBQNPCRTRBTMHZ-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001186496281 833403403 /nfs/dbraw/zinc/40/34/03/833403403.db2.gz BTDYYVVLSDJYCJ-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001186497128 833403581 /nfs/dbraw/zinc/40/35/81/833403581.db2.gz XSQMKLTYADVEOM-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001132283768 829405823 /nfs/dbraw/zinc/40/58/23/829405823.db2.gz IFGCEDMDNOGQFD-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615787 833408886 /nfs/dbraw/zinc/40/88/86/833408886.db2.gz JRPKZERJIVYKHA-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001132737841 829511925 /nfs/dbraw/zinc/51/19/25/829511925.db2.gz RNPLKAOYPMIHTE-AWEZNQCLSA-N 1 3 348.513 -0.294 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001132737841 829511929 /nfs/dbraw/zinc/51/19/29/829511929.db2.gz RNPLKAOYPMIHTE-AWEZNQCLSA-N 1 3 348.513 -0.294 20 0 EBADHO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CN(C(C)C)CCO2)nn1 ZINC001132858698 829539859 /nfs/dbraw/zinc/53/98/59/829539859.db2.gz FYMAYMZBOXZQPX-CQSZACIVSA-N 1 3 337.424 -0.200 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178251 829598711 /nfs/dbraw/zinc/59/87/11/829598711.db2.gz NLJHVHXGWUNVEL-OLZOCXBDSA-N 1 3 341.456 -0.403 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC1 ZINC001133282047 829615136 /nfs/dbraw/zinc/61/51/36/829615136.db2.gz YPBVYUIOFQNIBN-CYBMUJFWSA-N 1 3 326.441 -0.813 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824736 833431433 /nfs/dbraw/zinc/43/14/33/833431433.db2.gz JACSPLKGRMDBMX-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824736 833431437 /nfs/dbraw/zinc/43/14/37/833431437.db2.gz JACSPLKGRMDBMX-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001133419274 829630344 /nfs/dbraw/zinc/63/03/44/829630344.db2.gz KWUINHISXIFXOL-ZIAGYGMSSA-N 1 3 348.513 -0.440 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434416 829630914 /nfs/dbraw/zinc/63/09/14/829630914.db2.gz PUYDTNNTNICZJB-ZIAGYGMSSA-N 1 3 330.473 -0.180 20 0 EBADHO CC[C@H](C(=O)NCCNCCNS(=O)(=O)CC)[NH+](CC)CC ZINC001133690196 829662200 /nfs/dbraw/zinc/66/22/00/829662200.db2.gz JCZIGPKMYNSLDN-CYBMUJFWSA-N 1 3 336.502 -0.248 20 0 EBADHO CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690104 829662322 /nfs/dbraw/zinc/66/23/22/829662322.db2.gz HWHCJHJXMOVCQW-RYUDHWBXSA-N 1 3 329.445 -0.343 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133819853 829679539 /nfs/dbraw/zinc/67/95/39/829679539.db2.gz PPZSEAFVENFGGN-NSHDSACASA-N 1 3 325.413 -0.835 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133819853 829679544 /nfs/dbraw/zinc/67/95/44/829679544.db2.gz PPZSEAFVENFGGN-NSHDSACASA-N 1 3 325.413 -0.835 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001133845822 829685429 /nfs/dbraw/zinc/68/54/29/829685429.db2.gz OBVFMLKLZBDQAN-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001133845822 829685433 /nfs/dbraw/zinc/68/54/33/829685433.db2.gz OBVFMLKLZBDQAN-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133849644 829686185 /nfs/dbraw/zinc/68/61/85/829686185.db2.gz BDRSXRULAQDBOX-CQSZACIVSA-N 1 3 331.392 -0.900 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133849644 829686190 /nfs/dbraw/zinc/68/61/90/829686190.db2.gz BDRSXRULAQDBOX-CQSZACIVSA-N 1 3 331.392 -0.900 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133851057 829686622 /nfs/dbraw/zinc/68/66/22/829686622.db2.gz VYOUUTBYIJJGEE-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133851057 829686627 /nfs/dbraw/zinc/68/66/27/829686627.db2.gz VYOUUTBYIJJGEE-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001133849716 829686727 /nfs/dbraw/zinc/68/67/27/829686727.db2.gz CKNHQYMOCDCUKJ-UONOGXRCSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001133849716 829686731 /nfs/dbraw/zinc/68/67/31/829686731.db2.gz CKNHQYMOCDCUKJ-UONOGXRCSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001133849715 829686914 /nfs/dbraw/zinc/68/69/14/829686914.db2.gz CKNHQYMOCDCUKJ-KGLIPLIRSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001133849715 829686917 /nfs/dbraw/zinc/68/69/17/829686917.db2.gz CKNHQYMOCDCUKJ-KGLIPLIRSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862621 829688234 /nfs/dbraw/zinc/68/82/34/829688234.db2.gz DQIKCVRMENTKAI-NWDGAFQWSA-N 1 3 341.456 -0.486 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862621 829688236 /nfs/dbraw/zinc/68/82/36/829688236.db2.gz DQIKCVRMENTKAI-NWDGAFQWSA-N 1 3 341.456 -0.486 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133865471 829689602 /nfs/dbraw/zinc/68/96/02/829689602.db2.gz DILUOIFUVYDCBC-STQMWFEESA-N 1 3 341.456 -0.484 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865471 829689608 /nfs/dbraw/zinc/68/96/08/829689608.db2.gz DILUOIFUVYDCBC-STQMWFEESA-N 1 3 341.456 -0.484 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)CC(C)(C)C ZINC001133918149 829700151 /nfs/dbraw/zinc/70/01/51/829700151.db2.gz RJEOMNHMUISFMZ-CQSZACIVSA-N 1 3 325.457 -0.072 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021114 829713502 /nfs/dbraw/zinc/71/35/02/829713502.db2.gz RNWGXRDRGNUMGQ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001134021107 829713619 /nfs/dbraw/zinc/71/36/19/829713619.db2.gz RHQHKHRLNDHNRP-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1=O ZINC001134021228 829714464 /nfs/dbraw/zinc/71/44/64/829714464.db2.gz VNTZHQOBQIATIC-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611726 829804701 /nfs/dbraw/zinc/80/47/01/829804701.db2.gz AWTQRIYPBAHNHB-NEPJUHHUSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780712 829844797 /nfs/dbraw/zinc/84/47/97/829844797.db2.gz SOXCMENAAFQOFU-UHFFFAOYSA-N 1 3 327.429 -0.730 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC(=O)NC2CC2)CC1 ZINC001134780792 829845227 /nfs/dbraw/zinc/84/52/27/829845227.db2.gz WQOMCLVZMMEVKY-UHFFFAOYSA-N 1 3 339.440 -0.588 20 0 EBADHO CN1CCC[C@H](NCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118701 829899991 /nfs/dbraw/zinc/89/99/91/829899991.db2.gz QAKAABZSQOMJQA-AWEZNQCLSA-N 1 3 336.440 -0.615 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118715 829900185 /nfs/dbraw/zinc/90/01/85/829900185.db2.gz QNBLYAVOPSOBHE-AWEZNQCLSA-N 1 3 336.440 -0.615 20 0 EBADHO C[NH+](C)Cc1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cc1 ZINC001135334796 829946971 /nfs/dbraw/zinc/94/69/71/829946971.db2.gz VTZPAYKVJGGGDH-CQSZACIVSA-N 1 3 332.404 -0.127 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)C(C)C ZINC001135478024 829974241 /nfs/dbraw/zinc/97/42/41/829974241.db2.gz TWVFIFLVRSVUEK-TZMCWYRMSA-N 1 3 326.441 -0.136 20 0 EBADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706431 830013862 /nfs/dbraw/zinc/01/38/62/830013862.db2.gz UTINZUVXAGHJLU-CHWSQXEVSA-N 1 3 336.502 -0.250 20 0 EBADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706433 830013889 /nfs/dbraw/zinc/01/38/89/830013889.db2.gz UTINZUVXAGHJLU-QWHCGFSZSA-N 1 3 336.502 -0.250 20 0 EBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963275 830052915 /nfs/dbraw/zinc/05/29/15/830052915.db2.gz DHEGEXJWAKVUTB-AWEZNQCLSA-N 1 3 342.484 -0.036 20 0 EBADHO CN(C(=O)CNCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135960111 830053447 /nfs/dbraw/zinc/05/34/47/830053447.db2.gz YXGOYFCYQOSBFR-UHFFFAOYSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978960 830056747 /nfs/dbraw/zinc/05/67/47/830056747.db2.gz AACNVEYGQATGRI-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001211285694 837421387 /nfs/dbraw/zinc/42/13/87/837421387.db2.gz QZKAISWCJRGHKS-ZDUSSCGKSA-N 1 3 334.486 -0.544 20 0 EBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)CCN2CCN(C)CC2)CC1 ZINC001143238272 830146150 /nfs/dbraw/zinc/14/61/50/830146150.db2.gz KEJIHQUSRLQSEF-UHFFFAOYSA-N 1 3 340.468 -0.103 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147822839 830416519 /nfs/dbraw/zinc/41/65/19/830416519.db2.gz BPOFXDPDSKUUAB-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001147842419 830420062 /nfs/dbraw/zinc/42/00/62/830420062.db2.gz WVHVQMJHRDUTJE-UHFFFAOYSA-N 1 3 326.397 -0.820 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001147900769 830428078 /nfs/dbraw/zinc/42/80/78/830428078.db2.gz VOYAUKKMUVGLBB-ZIAGYGMSSA-N 1 3 326.441 -0.813 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001147900769 830428083 /nfs/dbraw/zinc/42/80/83/830428083.db2.gz VOYAUKKMUVGLBB-ZIAGYGMSSA-N 1 3 326.441 -0.813 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900198 830428935 /nfs/dbraw/zinc/42/89/35/830428935.db2.gz JNASFKIDUSTFND-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900198 830428942 /nfs/dbraw/zinc/42/89/42/830428942.db2.gz JNASFKIDUSTFND-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994788 830434849 /nfs/dbraw/zinc/43/48/49/830434849.db2.gz OSJHYTFJPLHINZ-UHFFFAOYSA-N 1 3 348.451 -0.820 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001148578506 830512774 /nfs/dbraw/zinc/51/27/74/830512774.db2.gz VOLOVYSGCGEOOO-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001148578506 830512782 /nfs/dbraw/zinc/51/27/82/830512782.db2.gz VOLOVYSGCGEOOO-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001148655845 830524970 /nfs/dbraw/zinc/52/49/70/830524970.db2.gz SSBPOYANURRULX-HUUCEWRRSA-N 1 3 331.457 -0.410 20 0 EBADHO C[C@@H](COCC(=O)NC[C@H]1CN(CCO)CCCO1)[NH+]1CCCC1 ZINC001150334340 830866512 /nfs/dbraw/zinc/86/65/12/830866512.db2.gz VCOULKFBIGOSPM-HOTGVXAUSA-N 1 3 343.468 -0.313 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001150350776 830870760 /nfs/dbraw/zinc/87/07/60/830870760.db2.gz OHPCEENIWBOSNC-KFWWJZLASA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001150350776 830870766 /nfs/dbraw/zinc/87/07/66/830870766.db2.gz OHPCEENIWBOSNC-KFWWJZLASA-N 1 3 331.457 -0.459 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001151058120 831017556 /nfs/dbraw/zinc/01/75/56/831017556.db2.gz WOQVJLAJRNTQNF-LSDHHAIUSA-N 1 3 338.452 -0.719 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001151058120 831017565 /nfs/dbraw/zinc/01/75/65/831017565.db2.gz WOQVJLAJRNTQNF-LSDHHAIUSA-N 1 3 338.452 -0.719 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361643 831061727 /nfs/dbraw/zinc/06/17/27/831061727.db2.gz LLHYOYKIXLLJMZ-UHFFFAOYSA-N 1 3 327.429 -0.586 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001152237284 831143554 /nfs/dbraw/zinc/14/35/54/831143554.db2.gz LQBOLAFJABQWOZ-HNNXBMFYSA-N 1 3 340.468 -0.279 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224663 831143976 /nfs/dbraw/zinc/14/39/76/831143976.db2.gz ZUBRCETWEODENA-UHFFFAOYSA-N 1 3 328.457 -0.279 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001152432509 831162902 /nfs/dbraw/zinc/16/29/02/831162902.db2.gz IXEBJIQKRWHVPF-CQSZACIVSA-N 1 3 331.457 -0.411 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152457705 831165425 /nfs/dbraw/zinc/16/54/25/831165425.db2.gz HINYCGFUGSYMGS-LBPRGKRZSA-N 1 3 325.413 -0.882 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314121 831221511 /nfs/dbraw/zinc/22/15/11/831221511.db2.gz GEUMYONCVSKBIL-UHFFFAOYSA-N 1 3 348.513 -0.102 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004987 831379967 /nfs/dbraw/zinc/37/99/67/831379967.db2.gz BZJVFPIBPZYENC-GFCCVEGCSA-N 1 3 327.429 -0.684 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001155789250 831429046 /nfs/dbraw/zinc/42/90/46/831429046.db2.gz CNKDDBHHCUGQTP-HNNXBMFYSA-N 1 3 333.436 -0.112 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O ZINC001155900515 831439030 /nfs/dbraw/zinc/43/90/30/831439030.db2.gz WNJQYWOXDKNHGQ-CYBMUJFWSA-N 1 3 341.456 -0.293 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCN1C(=O)CNC1=O ZINC001155900515 831439031 /nfs/dbraw/zinc/43/90/31/831439031.db2.gz WNJQYWOXDKNHGQ-CYBMUJFWSA-N 1 3 341.456 -0.293 20 0 EBADHO [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001157740965 831589117 /nfs/dbraw/zinc/58/91/17/831589117.db2.gz RLBPZRYHMVWSNP-AAEUAGOBSA-N 1 3 333.429 -0.557 20 0 EBADHO C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157914273 831607574 /nfs/dbraw/zinc/60/75/74/831607574.db2.gz INVUBYLYCIPALC-AJNGGQMLSA-N 1 3 340.468 -0.195 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070102 831624929 /nfs/dbraw/zinc/62/49/29/831624929.db2.gz ABPPPYQKRXVPIU-KBPBESRZSA-N 1 3 340.468 -0.155 20 0 EBADHO O=C(c1ccc2c(n1)CCNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119169 831629692 /nfs/dbraw/zinc/62/96/92/831629692.db2.gz GHBXFGZIRAHOST-GOSISDBHSA-N 1 3 341.415 -0.721 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168738 831635047 /nfs/dbraw/zinc/63/50/47/831635047.db2.gz YMVPZBWSSCDOLO-RFQIPJPRSA-N 1 3 326.441 -0.689 20 0 EBADHO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327680 831646976 /nfs/dbraw/zinc/64/69/76/831646976.db2.gz MJGIPPSYPUDUIG-XHSDSOJGSA-N 1 3 328.416 -0.585 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158414819 831652457 /nfs/dbraw/zinc/65/24/57/831652457.db2.gz IITSDXDCSZXTBB-SCRDCRAPSA-N 1 3 332.408 -0.723 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508870 831661989 /nfs/dbraw/zinc/66/19/89/831661989.db2.gz XHOFPOWLAZFMSW-YPMHNXCESA-N 1 3 325.438 -0.003 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158508870 831661991 /nfs/dbraw/zinc/66/19/91/831661991.db2.gz XHOFPOWLAZFMSW-YPMHNXCESA-N 1 3 325.438 -0.003 20 0 EBADHO O=C([C@H]1CNCCN1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903238 831694509 /nfs/dbraw/zinc/69/45/09/831694509.db2.gz MWUBIFAMDJWUAM-DXCKQFNASA-N 1 3 349.410 -0.364 20 0 EBADHO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]21 ZINC001159048565 831705362 /nfs/dbraw/zinc/70/53/62/831705362.db2.gz ULFASQUQVDCOPM-APIJFGDWSA-N 1 3 340.468 -0.216 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623318 831766744 /nfs/dbraw/zinc/76/67/44/831766744.db2.gz CZWSDGOUWZZJIO-AAVRWANBSA-N 1 3 340.424 -0.635 20 0 EBADHO [NH3+]CCCNCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668136 831771364 /nfs/dbraw/zinc/77/13/64/831771364.db2.gz WJHAWMSHUZWDJW-SJORKVTESA-N 1 3 347.463 -0.178 20 0 EBADHO O=C(N1CCCC1)C12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159687861 831773320 /nfs/dbraw/zinc/77/33/20/831773320.db2.gz JESMYEWBNRHKAL-KJUJZPGYSA-N 1 3 332.448 -0.201 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CCC1 ZINC001159854624 831788474 /nfs/dbraw/zinc/78/84/74/831788474.db2.gz PEJOWTDCOBUHRS-UHFFFAOYSA-N 1 3 340.468 -0.138 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931598 831799453 /nfs/dbraw/zinc/79/94/53/831799453.db2.gz GJLNLBRJNZBUEC-HNNXBMFYSA-N 1 3 328.457 -0.425 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159973546 831801994 /nfs/dbraw/zinc/80/19/94/831801994.db2.gz HPVSPWFOHHORKG-ZDUSSCGKSA-N 1 3 331.424 -0.074 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997307 831802925 /nfs/dbraw/zinc/80/29/25/831802925.db2.gz LICDDCHVQVFRFZ-HNNXBMFYSA-N 1 3 331.457 -0.410 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)C1CCC1 ZINC001160003458 831804686 /nfs/dbraw/zinc/80/46/86/831804686.db2.gz PHTMBOYRXUDARG-UHFFFAOYSA-N 1 3 325.413 -0.882 20 0 EBADHO Cc1ccc(N(C(=O)[C@@H](N)CN)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049498 831810270 /nfs/dbraw/zinc/81/02/70/831810270.db2.gz AABDRVDDSIJREP-HEHGZKQESA-N 1 3 334.424 -0.685 20 0 EBADHO N[C@@H]1C[NH2+][C@H](C(=O)N(Cc2cn3c(n2)CNCC3)c2ccccn2)C1 ZINC001160064856 831811190 /nfs/dbraw/zinc/81/11/90/831811190.db2.gz CRFDJFCXGQWHLB-JSGCOSHPSA-N 1 3 341.419 -0.396 20 0 EBADHO O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001160191316 831823808 /nfs/dbraw/zinc/82/38/08/831823808.db2.gz JTLLLGKVSAEGBG-HGTKMLMNSA-N 1 3 346.475 -0.051 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001160433124 831849923 /nfs/dbraw/zinc/84/99/23/831849923.db2.gz HUYNHEJBTZZHPL-HNNXBMFYSA-N 1 3 326.441 -0.183 20 0 EBADHO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160439566 831850768 /nfs/dbraw/zinc/85/07/68/831850768.db2.gz MGNDHIZVSNPSIJ-STQMWFEESA-N 1 3 342.440 -0.674 20 0 EBADHO N[C@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506211 831858220 /nfs/dbraw/zinc/85/82/20/831858220.db2.gz JKXFRQCFMHJOSL-CABCVRRESA-N 1 3 338.452 -0.447 20 0 EBADHO O=C([C@@H]1CNCCN1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589378 831867774 /nfs/dbraw/zinc/86/77/74/831867774.db2.gz QFWIEJHTAOOLMK-ZDUSSCGKSA-N 1 3 329.404 -0.596 20 0 EBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716930 831880009 /nfs/dbraw/zinc/88/00/09/831880009.db2.gz TWIABIFPCVGWAY-ZDUSSCGKSA-N 1 3 348.447 -0.094 20 0 EBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716930 831880017 /nfs/dbraw/zinc/88/00/17/831880017.db2.gz TWIABIFPCVGWAY-ZDUSSCGKSA-N 1 3 348.447 -0.094 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3[nH]nc4c3CNC4)C[C@H]1C2 ZINC001160804129 831888439 /nfs/dbraw/zinc/88/84/39/831888439.db2.gz SXVQHLMFHYWUEA-TYVYJZRMSA-N 1 3 345.403 -0.516 20 0 EBADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160823747 831891722 /nfs/dbraw/zinc/89/17/22/831891722.db2.gz ISLDZXYPPWAIPG-SNVBAGLBSA-N 1 3 334.376 -0.455 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C ZINC001160883772 831903321 /nfs/dbraw/zinc/90/33/21/831903321.db2.gz UWQKXOZPYHMQOS-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880325 831903375 /nfs/dbraw/zinc/90/33/75/831903375.db2.gz XXVRDHLFGHUAOY-CYBMUJFWSA-N 1 3 342.399 -0.121 20 0 EBADHO CO[C@@H](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161146864 831931399 /nfs/dbraw/zinc/93/13/99/831931399.db2.gz SPCVLSXIBRAQGA-QEJZJMRPSA-N 1 3 340.468 -0.073 20 0 EBADHO CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC001161158300 831933699 /nfs/dbraw/zinc/93/36/99/831933699.db2.gz CKWNJMFILDFRMO-FZMZJTMJSA-N 1 3 330.429 -0.784 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269178 831943148 /nfs/dbraw/zinc/94/31/48/831943148.db2.gz RYMKBWBUNQVSCZ-CYBMUJFWSA-N 1 3 327.429 -0.915 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269180 831943228 /nfs/dbraw/zinc/94/32/28/831943228.db2.gz RYMKBWBUNQVSCZ-ZDUSSCGKSA-N 1 3 327.429 -0.915 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161294892 831944544 /nfs/dbraw/zinc/94/45/44/831944544.db2.gz AFPOENSUUHIJBA-NEPJUHHUSA-N 1 3 325.438 -0.134 20 0 EBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161374168 831951309 /nfs/dbraw/zinc/95/13/09/831951309.db2.gz UGAOHDCCFRBFPT-DOMZBBRYSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161374168 831951312 /nfs/dbraw/zinc/95/13/12/831951312.db2.gz UGAOHDCCFRBFPT-DOMZBBRYSA-N 1 3 325.409 -0.349 20 0 EBADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C1 ZINC001161488489 831965341 /nfs/dbraw/zinc/96/53/41/831965341.db2.gz CTKOYNNXVPFKSA-GUYCJALGSA-N 1 3 348.451 -0.099 20 0 EBADHO COCCOCC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872522 832068213 /nfs/dbraw/zinc/06/82/13/832068213.db2.gz UZAOERQXZWKJTJ-CKDBGZEDSA-N 1 3 341.452 -0.392 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872620 832070105 /nfs/dbraw/zinc/07/01/05/832070105.db2.gz YKKQFDFNPVLSGG-XCCIUEIHSA-N 1 3 338.452 -0.578 20 0 EBADHO CN(C(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001350688472 832185447 /nfs/dbraw/zinc/18/54/47/832185447.db2.gz KALNQMYKUNUMHE-HNNXBMFYSA-N 1 3 340.468 -0.280 20 0 EBADHO c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncc3c(n1)CCNC3)C2 ZINC001165311731 832214884 /nfs/dbraw/zinc/21/48/84/832214884.db2.gz DRFWLOXBFSJSOK-UHFFFAOYSA-N 1 3 326.408 -0.187 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001166004555 832245614 /nfs/dbraw/zinc/24/56/14/832245614.db2.gz RKNDMRXZUJDPPL-MRXNPFEDSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001166627666 832275073 /nfs/dbraw/zinc/27/50/73/832275073.db2.gz ZAEBBQPYCYGTOZ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633847 832276309 /nfs/dbraw/zinc/27/63/09/832276309.db2.gz KWDKHVLBLXYHEC-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166676631 832279488 /nfs/dbraw/zinc/27/94/88/832279488.db2.gz ABRHYBNEVONZDB-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677869 832279521 /nfs/dbraw/zinc/27/95/21/832279521.db2.gz OXVMDSGLEMZRAF-AWEZNQCLSA-N 1 3 348.513 -0.247 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001166678574 832280278 /nfs/dbraw/zinc/28/02/78/832280278.db2.gz WNBQHAYVEGXKFT-KBPBESRZSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708197 832282484 /nfs/dbraw/zinc/28/24/84/832282484.db2.gz NUGHUFAZLRRTHD-WDEREUQCSA-N 1 3 340.453 -0.230 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708197 832282491 /nfs/dbraw/zinc/28/24/91/832282491.db2.gz NUGHUFAZLRRTHD-WDEREUQCSA-N 1 3 340.453 -0.230 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001166744347 832287170 /nfs/dbraw/zinc/28/71/70/832287170.db2.gz RUMUYMAZJKUVEB-NSHDSACASA-N 1 3 327.429 -0.602 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167225434 832318632 /nfs/dbraw/zinc/31/86/32/832318632.db2.gz VLSXXKCMQYZMQM-GFCCVEGCSA-N 1 3 339.440 -0.458 20 0 EBADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001167260744 832322066 /nfs/dbraw/zinc/32/20/66/832322066.db2.gz HXXAEBDBANWNPG-NSHDSACASA-N 1 3 327.429 -0.602 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583907 832434164 /nfs/dbraw/zinc/43/41/64/832434164.db2.gz VDDBNXAMUZDGMQ-CABCVRRESA-N 1 3 339.484 -0.674 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168756031 832434822 /nfs/dbraw/zinc/43/48/22/832434822.db2.gz TZNRZYXCTPOQQE-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001168763650 832435435 /nfs/dbraw/zinc/43/54/35/832435435.db2.gz RCTJWTYMHPMIQR-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246528 832553812 /nfs/dbraw/zinc/55/38/12/832553812.db2.gz FNXAEXOPYAYOFQ-SMDDNHRTSA-N 1 3 341.456 -0.214 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001171762576 832575138 /nfs/dbraw/zinc/57/51/38/832575138.db2.gz GSINIZSKKUHWTQ-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCC[C@@H]1C ZINC001175257124 832619855 /nfs/dbraw/zinc/61/98/55/832619855.db2.gz VANSHZWSAXEZIX-STQMWFEESA-N 1 3 341.456 -0.070 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001356449374 832630281 /nfs/dbraw/zinc/63/02/81/832630281.db2.gz QGPALXWSOYRWIW-KKUMJFAQSA-N 1 3 339.484 -0.770 20 0 EBADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001175769374 832644803 /nfs/dbraw/zinc/64/48/03/832644803.db2.gz RMMFTLXYGYYKCV-GFCCVEGCSA-N 1 3 329.445 -0.212 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001176986847 832726135 /nfs/dbraw/zinc/72/61/35/832726135.db2.gz XBQQYQMBXVTCNI-HNNXBMFYSA-N 1 3 345.484 -0.021 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986431 832726141 /nfs/dbraw/zinc/72/61/41/832726141.db2.gz OAMGVKGGGLSSGO-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356682 832853943 /nfs/dbraw/zinc/85/39/43/832853943.db2.gz PODJMIPBVQNJJZ-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(=O)NC(N)=O ZINC001178902316 832928460 /nfs/dbraw/zinc/92/84/60/832928460.db2.gz KUQDPMBQHQEYSZ-GVXVVHGQSA-N 1 3 339.440 -0.367 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C)N(C)C ZINC001178990333 832938316 /nfs/dbraw/zinc/93/83/16/832938316.db2.gz SCASGKBFABNLLY-MELADBBJSA-N 1 3 348.513 -0.203 20 0 EBADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001179178914 832957915 /nfs/dbraw/zinc/95/79/15/832957915.db2.gz DGJYRRYLZXSOSQ-LHYMLEISSA-N 1 3 336.436 -0.825 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303434 832968294 /nfs/dbraw/zinc/96/82/94/832968294.db2.gz CAFXVOYUGGJVMH-XUWVNRHRSA-N 1 3 343.468 -0.317 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)[C@H]1CCCN1C ZINC001179303572 832968886 /nfs/dbraw/zinc/96/88/86/832968886.db2.gz HYSZWVRCKPIMBN-YHUYYLMFSA-N 1 3 335.452 -0.083 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486704 832981837 /nfs/dbraw/zinc/98/18/37/832981837.db2.gz PYYSEUZMMYADQN-SRVKXCTJSA-N 1 3 327.429 -0.639 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCO[C@H](C)C2)CCN1C(=O)CC[NH+](C)C ZINC001179485919 832981943 /nfs/dbraw/zinc/98/19/43/832981943.db2.gz FBYUCKHLAALDGA-ILXRZTDVSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C)[NH+](CC)CC ZINC001179517352 832984336 /nfs/dbraw/zinc/98/43/36/832984336.db2.gz QDPRYFLXLGMLEK-AVGNSLFASA-N 1 3 341.456 -0.119 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179534767 832985534 /nfs/dbraw/zinc/98/55/34/832985534.db2.gz VWLHSAZVRMOEFN-SRVKXCTJSA-N 1 3 325.413 -0.755 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)NCC(C)(C)C)C1 ZINC001187122102 833904386 /nfs/dbraw/zinc/90/43/86/833904386.db2.gz OXFIZUVNMZTRGD-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)C1 ZINC001187817974 833970050 /nfs/dbraw/zinc/97/00/50/833970050.db2.gz MHUNPNLJMPTUAQ-DZGCQCFKSA-N 1 3 338.452 -0.576 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)C1 ZINC001187817974 833970056 /nfs/dbraw/zinc/97/00/56/833970056.db2.gz MHUNPNLJMPTUAQ-DZGCQCFKSA-N 1 3 338.452 -0.576 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187824945 833972117 /nfs/dbraw/zinc/97/21/17/833972117.db2.gz DAFKFGMYRMMNNV-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187824945 833972121 /nfs/dbraw/zinc/97/21/21/833972121.db2.gz DAFKFGMYRMMNNV-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001188158744 834017356 /nfs/dbraw/zinc/01/73/56/834017356.db2.gz WUIZPWLWMUSYST-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001188962788 834109978 /nfs/dbraw/zinc/10/99/78/834109978.db2.gz FWNIMAFRPIXDMH-BFHYXJOUSA-N 1 3 348.447 -0.334 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487745 834887049 /nfs/dbraw/zinc/88/70/49/834887049.db2.gz DWQOWDBTTNIYDV-CQSZACIVSA-N 1 3 341.456 -0.878 20 0 EBADHO CC(=O)NCCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001333 834994320 /nfs/dbraw/zinc/99/43/20/834994320.db2.gz GXZSXFZMNKKNEY-JKSUJKDBSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(=O)NCCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001333 834994331 /nfs/dbraw/zinc/99/43/31/834994331.db2.gz GXZSXFZMNKKNEY-JKSUJKDBSA-N 1 3 340.468 -0.377 20 0 EBADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCC1 ZINC001197826393 835614067 /nfs/dbraw/zinc/61/40/67/835614067.db2.gz VDGXAQBNAKMWGY-BZUAXINKSA-N 1 3 343.468 -0.459 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787657 835861603 /nfs/dbraw/zinc/86/16/03/835861603.db2.gz CEKDSOXUXTXZRK-JKSUJKDBSA-N 1 3 343.468 -0.315 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537882 835981588 /nfs/dbraw/zinc/98/15/88/835981588.db2.gz VCABIXBFMCVHRY-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537882 835981590 /nfs/dbraw/zinc/98/15/90/835981590.db2.gz VCABIXBFMCVHRY-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537136 835981885 /nfs/dbraw/zinc/98/18/85/835981885.db2.gz LVFLQRJUOCZBJV-MGPQQGTHSA-N 1 3 326.441 -0.720 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537136 835981893 /nfs/dbraw/zinc/98/18/93/835981893.db2.gz LVFLQRJUOCZBJV-MGPQQGTHSA-N 1 3 326.441 -0.720 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200635891 836000300 /nfs/dbraw/zinc/00/03/00/836000300.db2.gz XGMRENQLMATDMI-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200635891 836000314 /nfs/dbraw/zinc/00/03/14/836000314.db2.gz XGMRENQLMATDMI-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688656 836016973 /nfs/dbraw/zinc/01/69/73/836016973.db2.gz SXVLTWLSYPUZIY-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688681 836017296 /nfs/dbraw/zinc/01/72/96/836017296.db2.gz TYKHIRXZRSKCPK-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1)c1cc[nH+]cc1 ZINC001200843081 836045019 /nfs/dbraw/zinc/04/50/19/836045019.db2.gz WUBOZXPBRPOMFF-OAHLLOKOSA-N 1 3 349.435 -0.400 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001200852361 836048587 /nfs/dbraw/zinc/04/85/87/836048587.db2.gz ZFIMPGXODGZDCM-OLZOCXBDSA-N 1 3 328.457 -0.202 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001200852361 836048597 /nfs/dbraw/zinc/04/85/97/836048597.db2.gz ZFIMPGXODGZDCM-OLZOCXBDSA-N 1 3 328.457 -0.202 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052913 836086780 /nfs/dbraw/zinc/08/67/80/836086780.db2.gz IFFNLURBZUACAE-CQSZACIVSA-N 1 3 339.440 -0.637 20 0 EBADHO C[NH+](C)C1(CC(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CCCC1 ZINC001201078991 836090674 /nfs/dbraw/zinc/09/06/74/836090674.db2.gz CLSBBHDWMMFKMV-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262609 836120287 /nfs/dbraw/zinc/12/02/87/836120287.db2.gz VDNNQRCVMLQWDB-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001201275769 836121116 /nfs/dbraw/zinc/12/11/16/836121116.db2.gz AHEHCBLLFKKINW-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC1CC1 ZINC001201317138 836127981 /nfs/dbraw/zinc/12/79/81/836127981.db2.gz FYWKXKYYADNXIH-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001201321702 836129503 /nfs/dbraw/zinc/12/95/03/836129503.db2.gz UBMVKKCATBHWOI-UHFFFAOYSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335702 836130556 /nfs/dbraw/zinc/13/05/56/836130556.db2.gz QARPGLSETNSPGS-CQSZACIVSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN1CC[C@H](NC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335404 836130897 /nfs/dbraw/zinc/13/08/97/836130897.db2.gz OBYYTLAQQDFNOB-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201907903 836214194 /nfs/dbraw/zinc/21/41/94/836214194.db2.gz FANWPZFZVDKZHG-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001201925346 836217246 /nfs/dbraw/zinc/21/72/46/836217246.db2.gz ZGMQFHVMBMOYGJ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001201925346 836217251 /nfs/dbraw/zinc/21/72/51/836217251.db2.gz ZGMQFHVMBMOYGJ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057168 836241908 /nfs/dbraw/zinc/24/19/08/836241908.db2.gz DOMOGPJNTBGCRT-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)C1 ZINC001202057168 836241920 /nfs/dbraw/zinc/24/19/20/836241920.db2.gz DOMOGPJNTBGCRT-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059886 836243992 /nfs/dbraw/zinc/24/39/92/836243992.db2.gz SJGKJNLLERYRNQ-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059886 836244000 /nfs/dbraw/zinc/24/40/00/836244000.db2.gz SJGKJNLLERYRNQ-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1)C(N)=O ZINC001202148645 836263295 /nfs/dbraw/zinc/26/32/95/836263295.db2.gz YPSYBZGDHPYECG-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202165612 836265743 /nfs/dbraw/zinc/26/57/43/836265743.db2.gz SALIKLMZFQASQF-UONOGXRCSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001202496713 836308366 /nfs/dbraw/zinc/30/83/66/836308366.db2.gz VIEJQKZZFTUHNB-ZDUSSCGKSA-N 1 3 346.497 -0.542 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203442224 836432446 /nfs/dbraw/zinc/43/24/46/836432446.db2.gz HHIOXDGIYNFUJX-NSHDSACASA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790903 836478300 /nfs/dbraw/zinc/47/83/00/836478300.db2.gz ABYUCFJBAYWXBO-NEPJUHHUSA-N 1 3 339.440 -0.462 20 0 EBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001205345739 836560076 /nfs/dbraw/zinc/56/00/76/836560076.db2.gz XMLPJUXDVKTPMA-HUUCEWRRSA-N 1 3 338.452 -0.576 20 0 EBADHO NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001205719159 836589884 /nfs/dbraw/zinc/58/98/84/836589884.db2.gz BTBKTDAPOXRKSK-XOYHFGRZSA-N 1 3 336.436 -0.837 20 0 EBADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001206300891 836637666 /nfs/dbraw/zinc/63/76/66/836637666.db2.gz FXBPTNUULDSUSZ-LBPRGKRZSA-N 1 3 327.429 -0.650 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687859 836845528 /nfs/dbraw/zinc/84/55/28/836845528.db2.gz JIFPAPLNBPCBNJ-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CS(=O)(=O)CCN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208055765 836937022 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CWIRUWOZVOVGSP-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001208414424 837027778 /nfs/dbraw/zinc/02/77/78/837027778.db2.gz PFMRNHFQYGHIFA-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419147 837166550 /nfs/dbraw/zinc/16/65/50/837166550.db2.gz JMBXCGJQWYAPEZ-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631260 837183392 /nfs/dbraw/zinc/18/33/92/837183392.db2.gz DYJRWSCDFGMSQG-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209633160 837184484 /nfs/dbraw/zinc/18/44/84/837184484.db2.gz SEJJAEISHWZVRJ-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209643702 837186053 /nfs/dbraw/zinc/18/60/53/837186053.db2.gz VOGBGKBWLYHABR-NWDGAFQWSA-N 1 3 325.413 -0.896 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643677 837186173 /nfs/dbraw/zinc/18/61/73/837186173.db2.gz VFWQHOZJHDTWHB-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H](N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685314 837319923 /nfs/dbraw/zinc/31/99/23/837319923.db2.gz SPYNHWANFZVWKO-NEPJUHHUSA-N 1 3 337.424 -0.754 20 0 EBADHO C[C@@H](N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685317 837320094 /nfs/dbraw/zinc/32/00/94/837320094.db2.gz SPYNHWANFZVWKO-VXGBXAGGSA-N 1 3 337.424 -0.754 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001210685134 837320162 /nfs/dbraw/zinc/32/01/62/837320162.db2.gz ONESHGHEUNODMS-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)CC1 ZINC001319101472 838072357 /nfs/dbraw/zinc/07/23/57/838072357.db2.gz AGZRNUWHDFHCHA-CYBMUJFWSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)CN1CCCC1 ZINC001319572239 838151327 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CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001325096436 839777712 /nfs/dbraw/zinc/77/77/12/839777712.db2.gz IACJKYMIJLBLFT-RDJZCZTQSA-N 1 3 343.468 -0.579 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001325096436 839777720 /nfs/dbraw/zinc/77/77/20/839777720.db2.gz IACJKYMIJLBLFT-RDJZCZTQSA-N 1 3 343.468 -0.579 20 0 EBADHO C[C@H]1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC001325646090 839905168 /nfs/dbraw/zinc/90/51/68/839905168.db2.gz HZBXQHHZVOGDQO-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO Cn1cncc1CNCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001326024390 840006014 /nfs/dbraw/zinc/00/60/14/840006014.db2.gz TZFKAJKYEWMCJV-INIZCTEOSA-N 1 3 335.452 -0.328 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N(CCO)CCNCC(N)=O)C1 ZINC001326092420 840031176 /nfs/dbraw/zinc/03/11/76/840031176.db2.gz YMNMTCRRPLIUMD-HNNXBMFYSA-N 1 3 332.420 -0.905 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N(CCO)CCNCC(N)=O)C1 ZINC001326092420 840031186 /nfs/dbraw/zinc/03/11/86/840031186.db2.gz YMNMTCRRPLIUMD-HNNXBMFYSA-N 1 3 332.420 -0.905 20 0 EBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC001326182066 840058630 /nfs/dbraw/zinc/05/86/30/840058630.db2.gz DGNQVYHXLJGSCN-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001326407405 840101397 /nfs/dbraw/zinc/10/13/97/840101397.db2.gz COWRNCHTKCIQNQ-CQSZACIVSA-N 1 3 337.472 -0.227 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001326546391 840131630 /nfs/dbraw/zinc/13/16/30/840131630.db2.gz FFDIDEOHLPWPTG-KBPBESRZSA-N 1 3 327.473 -0.628 20 0 EBADHO CCN1CCN(CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001326767006 840195887 /nfs/dbraw/zinc/19/58/87/840195887.db2.gz NCXNAENLIGCGBG-UHFFFAOYSA-N 1 3 349.483 -0.040 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001327259132 840343937 /nfs/dbraw/zinc/34/39/37/840343937.db2.gz ZXKKPTYDBDTJPN-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001327259132 840343950 /nfs/dbraw/zinc/34/39/50/840343950.db2.gz ZXKKPTYDBDTJPN-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO CN(CCN1C(=O)CNC1=O)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001328764005 840744249 /nfs/dbraw/zinc/74/42/49/840744249.db2.gz IEDRUEKUUQMDQT-ZDUSSCGKSA-N 1 3 339.440 -0.587 20 0 EBADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329057210 840829378 /nfs/dbraw/zinc/82/93/78/840829378.db2.gz POFDDDKUHAJUQL-VXGBXAGGSA-N 1 3 339.440 -0.495 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201482 840872699 /nfs/dbraw/zinc/87/26/99/840872699.db2.gz CKQIPJWGZZBLON-VXGBXAGGSA-N 1 3 327.429 -0.639 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001330918865 841296559 /nfs/dbraw/zinc/29/65/59/841296559.db2.gz UAGJCPIEZYLPSB-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001331133681 841347038 /nfs/dbraw/zinc/34/70/38/841347038.db2.gz JHTBYUTXTWRRQN-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331156562 841357860 /nfs/dbraw/zinc/35/78/60/841357860.db2.gz WYNUAIKRFOFFGQ-JOCQHMNTSA-N 1 3 340.468 -0.155 20 0 EBADHO CCN1CCN(CCCNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001332974513 841773378 /nfs/dbraw/zinc/77/33/78/841773378.db2.gz CJLLIIWROZHNBK-HSZRJFAPSA-N 1 3 344.525 -0.369 20 0 EBADHO CC[NH2+]CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333542597 841902720 /nfs/dbraw/zinc/90/27/20/841902720.db2.gz LBXAASRVNDBEPW-AWEZNQCLSA-N 1 3 326.441 -0.528 20 0 EBADHO CCN(C(=O)C(=O)NC1CCN(CCOC)CC1)[C@H]1CC[NH2+]C1 ZINC001333909912 841963868 /nfs/dbraw/zinc/96/38/68/841963868.db2.gz OIHUSTSGXFZJRE-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001333979432 841980178 /nfs/dbraw/zinc/98/01/78/841980178.db2.gz MFJLVNZFIXYUPN-AWEZNQCLSA-N 1 3 337.468 -0.907 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001335195884 842220853 /nfs/dbraw/zinc/22/08/53/842220853.db2.gz DLZGOQWBBGVZCT-CABCVRRESA-N 1 3 339.484 -0.817 20 0 EBADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001336647893 842525352 /nfs/dbraw/zinc/52/53/52/842525352.db2.gz WHRQEGGLFPJVOL-CBBWQLFWSA-N 1 3 336.436 -0.635 20 0 EBADHO C[C@H]1CN2CCN1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001342535979 843167825 /nfs/dbraw/zinc/16/78/25/843167825.db2.gz OCEOGLSYXOVOEF-DZJNRPSUSA-N 1 3 347.507 -0.198 20 0 EBADHO C[C@@H](C(=O)NCCCCC[NH+]1CCNCC1)N1CCN(C)CC1 ZINC001342679510 843174117 /nfs/dbraw/zinc/17/41/17/843174117.db2.gz PYQLNITXEFENQB-INIZCTEOSA-N 1 3 325.501 -0.186 20 0 EBADHO O=C(CCN1CCN(c2ccccn2)CC1)N1CCNCC[NH2+]CC1 ZINC001344974526 843351689 /nfs/dbraw/zinc/35/16/89/843351689.db2.gz RROGNJIVWVTLAT-UHFFFAOYSA-N 1 3 346.479 -0.385 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC001345206451 843376126 /nfs/dbraw/zinc/37/61/26/843376126.db2.gz VSVKKTCOTTVEIX-AWEZNQCLSA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CCN(C)CC1 ZINC001347101282 843591759 /nfs/dbraw/zinc/59/17/59/843591759.db2.gz AVSJZZWVRWPQLZ-INIZCTEOSA-N 1 3 342.532 -0.195 20 0 EBADHO CN(C)C1(C(=O)NCC[N@H+](C)CCCN2C(=O)CNC2=O)CCC1 ZINC001480873690 1125798804 /nfs/dbraw/zinc/79/88/04/1125798804.db2.gz ROWPFUMYYCRUOG-UHFFFAOYSA-N 1 3 339.440 -0.539 20 0 EBADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCCN2C(=O)CNC2=O)CCC1 ZINC001480873690 1125798806 /nfs/dbraw/zinc/79/88/06/1125798806.db2.gz ROWPFUMYYCRUOG-UHFFFAOYSA-N 1 3 339.440 -0.539 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001691166930 1125840208 /nfs/dbraw/zinc/84/02/08/1125840208.db2.gz FXPMCZSPIIOWKE-MGPQQGTHSA-N 1 3 346.497 -0.638 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001496207758 1125890220 /nfs/dbraw/zinc/89/02/20/1125890220.db2.gz RGYBWEPGDXBISC-NEPJUHHUSA-N 1 3 327.429 -0.685 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC(=O)NC2CC2)C1 ZINC001691476553 1125884162 /nfs/dbraw/zinc/88/41/62/1125884162.db2.gz LSWNVHFWDOXAER-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC(=O)NC2CC2)C1 ZINC001691476553 1125884164 /nfs/dbraw/zinc/88/41/64/1125884164.db2.gz LSWNVHFWDOXAER-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1C ZINC001481215461 1125945167 /nfs/dbraw/zinc/94/51/67/1125945167.db2.gz JNGPMPGCECIAKK-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873527 1126063746 /nfs/dbraw/zinc/06/37/46/1126063746.db2.gz AQOQHMGLZGEXRP-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873527 1126063747 /nfs/dbraw/zinc/06/37/47/1126063747.db2.gz AQOQHMGLZGEXRP-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC(N)=O ZINC001481880481 1126064138 /nfs/dbraw/zinc/06/41/38/1126064138.db2.gz FMMWJGWMSPLBPT-QWHCGFSZSA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)NC(N)=O ZINC001482495774 1126185050 /nfs/dbraw/zinc/18/50/50/1126185050.db2.gz RJLXMSRFGSIWGL-VXGBXAGGSA-N 1 3 327.429 -0.650 20 0 EBADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001482570710 1126199507 /nfs/dbraw/zinc/19/95/07/1126199507.db2.gz FAOIUKUPUFBPOA-CHWSQXEVSA-N 1 3 326.441 -0.138 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001648976250 1126210449 /nfs/dbraw/zinc/21/04/49/1126210449.db2.gz KNLJMCMICWUYDQ-DOTOQJQBSA-N 1 3 326.485 -0.119 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762359 1126280578 /nfs/dbraw/zinc/28/05/78/1126280578.db2.gz OSNYYUOLQSEBNX-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762359 1126280579 /nfs/dbraw/zinc/28/05/79/1126280579.db2.gz OSNYYUOLQSEBNX-HUUCEWRRSA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790833 1126292436 /nfs/dbraw/zinc/29/24/36/1126292436.db2.gz KMKANTBAWQISSZ-KGLIPLIRSA-N 1 3 342.484 -0.443 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790833 1126292438 /nfs/dbraw/zinc/29/24/38/1126292438.db2.gz KMKANTBAWQISSZ-KGLIPLIRSA-N 1 3 342.484 -0.443 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001482924008 1126302808 /nfs/dbraw/zinc/30/28/08/1126302808.db2.gz CAYWHWYFJFHKLU-RWMBFGLXSA-N 1 3 341.456 -0.262 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001482924008 1126302809 /nfs/dbraw/zinc/30/28/09/1126302809.db2.gz CAYWHWYFJFHKLU-RWMBFGLXSA-N 1 3 341.456 -0.262 20 0 EBADHO O=C(NC/C=C/CN[C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025421 1126314745 /nfs/dbraw/zinc/31/47/45/1126314745.db2.gz WMIUSXKVDWJQMB-YUKKFKLSSA-N 1 3 348.447 -0.070 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160874 1126348610 /nfs/dbraw/zinc/34/86/10/1126348610.db2.gz MPYRBPOEUFYLTR-AGIUHOORSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483160874 1126348611 /nfs/dbraw/zinc/34/86/11/1126348611.db2.gz MPYRBPOEUFYLTR-AGIUHOORSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001483185441 1126351439 /nfs/dbraw/zinc/35/14/39/1126351439.db2.gz KPIVULJKRSCBEJ-ZIAGYGMSSA-N 1 3 348.513 -0.298 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001483197413 1126352544 /nfs/dbraw/zinc/35/25/44/1126352544.db2.gz IUJCRTFKSFAIOW-NEPJUHHUSA-N 1 3 329.445 -0.345 20 0 EBADHO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001483266349 1126412205 /nfs/dbraw/zinc/41/22/05/1126412205.db2.gz INJCQXGNKFIRLO-STQMWFEESA-N 1 3 334.486 -0.686 20 0 EBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272440 1126412516 /nfs/dbraw/zinc/41/25/16/1126412516.db2.gz XSLASXHIJLAGDB-QWRGUYRKSA-N 1 3 327.429 -0.604 20 0 EBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001483278517 1126413268 /nfs/dbraw/zinc/41/32/68/1126413268.db2.gz AGPOSVVZXXFOPN-LBPRGKRZSA-N 1 3 335.470 -0.764 20 0 EBADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566794 1126435310 /nfs/dbraw/zinc/43/53/10/1126435310.db2.gz UGIJNIBVJDNSJQ-OLZOCXBDSA-N 1 3 336.436 -0.240 20 0 EBADHO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001483955539 1126493188 /nfs/dbraw/zinc/49/31/88/1126493188.db2.gz KLCINFTZNPUGIY-ZDUSSCGKSA-N 1 3 332.470 -0.788 20 0 EBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001483930048 1126490548 /nfs/dbraw/zinc/49/05/48/1126490548.db2.gz WOHJSMKCVKYNDV-OLZOCXBDSA-N 1 3 336.440 -0.487 20 0 EBADHO CNC(=O)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCOCC1 ZINC001484185922 1126513921 /nfs/dbraw/zinc/51/39/21/1126513921.db2.gz CYNKZVZJLSNPCC-UHFFFAOYSA-N 1 3 340.468 -0.138 20 0 EBADHO CNC(=O)CNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCOCC1 ZINC001484185922 1126513923 /nfs/dbraw/zinc/51/39/23/1126513923.db2.gz CYNKZVZJLSNPCC-UHFFFAOYSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001484898515 1126651443 /nfs/dbraw/zinc/65/14/43/1126651443.db2.gz HGPJWOWXDWRFIK-WCQYABFASA-N 1 3 328.438 -0.177 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC001484898517 1126651646 /nfs/dbraw/zinc/65/16/46/1126651646.db2.gz HGPJWOWXDWRFIK-YPMHNXCESA-N 1 3 328.438 -0.177 20 0 EBADHO C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)N[C@H]1CCNC1=O ZINC001485875731 1126904295 /nfs/dbraw/zinc/90/42/95/1126904295.db2.gz BJAIRJXGCICTFK-OLZOCXBDSA-N 1 3 336.440 -0.617 20 0 EBADHO C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H]1CCNC1=O ZINC001485875730 1126904711 /nfs/dbraw/zinc/90/47/11/1126904711.db2.gz BJAIRJXGCICTFK-CHWSQXEVSA-N 1 3 336.440 -0.617 20 0 EBADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)NCC(=O)NC(N)=O ZINC001485957295 1126938818 /nfs/dbraw/zinc/93/88/18/1126938818.db2.gz BPKMUAHBURWBQH-CYBMUJFWSA-N 1 3 341.456 -0.116 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C[C@@H]1C ZINC001486135591 1127045160 /nfs/dbraw/zinc/04/51/60/1127045160.db2.gz QNYKAMWUGMIPNW-KBPBESRZSA-N 1 3 348.513 -0.203 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001486304082 1127108469 /nfs/dbraw/zinc/10/84/69/1127108469.db2.gz YHEUJXDDTUXYPM-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001486304082 1127108472 /nfs/dbraw/zinc/10/84/72/1127108472.db2.gz YHEUJXDDTUXYPM-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304082 1127108482 /nfs/dbraw/zinc/10/84/82/1127108482.db2.gz YHEUJXDDTUXYPM-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC001410117903 1127582029 /nfs/dbraw/zinc/58/20/29/1127582029.db2.gz QKBCWLINIGCQEL-CABCVRRESA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432648 1127713176 /nfs/dbraw/zinc/71/31/76/1127713176.db2.gz IIRSSHALRILRFP-STQMWFEESA-N 1 3 343.472 -0.003 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512618 1127731988 /nfs/dbraw/zinc/73/19/88/1127731988.db2.gz OCLKPQCFNDBEDN-JSGCOSHPSA-N 1 3 341.456 -0.262 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001411050532 1127987877 /nfs/dbraw/zinc/98/78/77/1127987877.db2.gz ALXGIDRITZORGA-HZSPNIEDSA-N 1 3 342.484 -0.350 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001411050532 1127987881 /nfs/dbraw/zinc/98/78/81/1127987881.db2.gz ALXGIDRITZORGA-HZSPNIEDSA-N 1 3 342.484 -0.350 20 0 EBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001411095509 1128013895 /nfs/dbraw/zinc/01/38/95/1128013895.db2.gz LADQFTHRUPVQJE-NHYWBVRUSA-N 1 3 332.420 -0.907 20 0 EBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001411095509 1128013898 /nfs/dbraw/zinc/01/38/98/1128013898.db2.gz LADQFTHRUPVQJE-NHYWBVRUSA-N 1 3 332.420 -0.907 20 0 EBADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135441008 1128136534 /nfs/dbraw/zinc/13/65/34/1128136534.db2.gz XGJKSHZCWCGESX-LBPRGKRZSA-N 1 3 329.445 -0.212 20 0 EBADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001092838931 1128278878 /nfs/dbraw/zinc/27/88/78/1128278878.db2.gz YZMRUWAMTXKIHI-HCBPCCMXSA-N 1 3 337.464 -0.084 20 0 EBADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001092838931 1128278884 /nfs/dbraw/zinc/27/88/84/1128278884.db2.gz YZMRUWAMTXKIHI-HCBPCCMXSA-N 1 3 337.464 -0.084 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835373 1128355871 /nfs/dbraw/zinc/35/58/71/1128355871.db2.gz VGORYVUSMMTVRU-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001488002945 1128539589 /nfs/dbraw/zinc/53/95/89/1128539589.db2.gz UQAWLMJCFISBSX-KKUMJFAQSA-N 1 3 342.484 -0.348 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001488002945 1128539591 /nfs/dbraw/zinc/53/95/91/1128539591.db2.gz UQAWLMJCFISBSX-KKUMJFAQSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001488370090 1128707694 /nfs/dbraw/zinc/70/76/94/1128707694.db2.gz NJZANNAMUZFQAI-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001488370090 1128707697 /nfs/dbraw/zinc/70/76/97/1128707697.db2.gz NJZANNAMUZFQAI-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001489585564 1129018621 /nfs/dbraw/zinc/01/86/21/1129018621.db2.gz PYCVRYAVSZOVHR-TUVASFSCSA-N 1 3 340.468 -0.644 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001489585564 1129018624 /nfs/dbraw/zinc/01/86/24/1129018624.db2.gz PYCVRYAVSZOVHR-TUVASFSCSA-N 1 3 340.468 -0.644 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)CC1 ZINC001490700864 1129249836 /nfs/dbraw/zinc/24/98/36/1129249836.db2.gz OBWPSMBHHVPLJX-LBPRGKRZSA-N 1 3 325.413 -0.993 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001414057486 1131365565 /nfs/dbraw/zinc/36/55/65/1131365565.db2.gz YTQCOSJQFRIJDI-YCPHGPKFSA-N 1 3 342.484 -0.399 20 0 EBADHO CCOC(=O)C[C@H](O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001411712242 1129354051 /nfs/dbraw/zinc/35/40/51/1129354051.db2.gz AXONOLXEMIVQFB-HNNXBMFYSA-N 1 3 341.452 -0.025 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937650 1129793043 /nfs/dbraw/zinc/79/30/43/1129793043.db2.gz OJGAAVXZGJTNIF-KBPBESRZSA-N 1 3 340.468 -0.594 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937650 1129793046 /nfs/dbraw/zinc/79/30/46/1129793046.db2.gz OJGAAVXZGJTNIF-KBPBESRZSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337844 1130026326 /nfs/dbraw/zinc/02/63/26/1130026326.db2.gz QMIOQEAUNUGWOA-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)NCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001413730127 1130245718 /nfs/dbraw/zinc/24/57/18/1130245718.db2.gz NSNWFXSISFFSMH-CHWSQXEVSA-N 1 3 334.486 -0.588 20 0 EBADHO Cc1cc(NC(=O)CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n(C)n1 ZINC001490924720 1130265822 /nfs/dbraw/zinc/26/58/22/1130265822.db2.gz LLAZSGPPCMBVKA-JOCQHMNTSA-N 1 3 336.440 -0.144 20 0 EBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1)CC(C)(C)C ZINC001490927983 1130266375 /nfs/dbraw/zinc/26/63/75/1130266375.db2.gz GRHNXMCFPDVRDP-JOCQHMNTSA-N 1 3 348.513 -0.250 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC001491120714 1130331166 /nfs/dbraw/zinc/33/11/66/1130331166.db2.gz SYPFDPLVJFUGSK-AWEZNQCLSA-N 1 3 338.452 -0.085 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523996 1130825886 /nfs/dbraw/zinc/82/58/86/1130825886.db2.gz IXYPQNSBMQTJAS-RYUDHWBXSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001365833619 1132824245 /nfs/dbraw/zinc/82/42/45/1132824245.db2.gz JSNMETSAFYTXHX-HAQNSBGRSA-N 1 3 339.440 -0.589 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001480680658 1132957397 /nfs/dbraw/zinc/95/73/97/1132957397.db2.gz WGRZVYGYYZBFGT-CYBMUJFWSA-N 1 3 337.424 -0.928 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)N(C)C ZINC001366061147 1132986154 /nfs/dbraw/zinc/98/61/54/1132986154.db2.gz LGOPKQWYNYNSDJ-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001366099668 1133004272 /nfs/dbraw/zinc/00/42/72/1133004272.db2.gz SDSXFNODMVIOIS-KBPBESRZSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001366276216 1133080830 /nfs/dbraw/zinc/08/08/30/1133080830.db2.gz KGMGPNGKPGHMFS-KGLIPLIRSA-N 1 3 325.457 -0.021 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830752 1133309299 /nfs/dbraw/zinc/30/92/99/1133309299.db2.gz AFLMJLGIVMRYJT-CHWSQXEVSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC ZINC001367092372 1133473962 /nfs/dbraw/zinc/47/39/62/1133473962.db2.gz HQKBVRWTGBEVQG-GRYCIOLGSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC ZINC001367092372 1133473967 /nfs/dbraw/zinc/47/39/67/1133473967.db2.gz HQKBVRWTGBEVQG-GRYCIOLGSA-N 1 3 327.429 -0.733 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001367200165 1133499418 /nfs/dbraw/zinc/49/94/18/1133499418.db2.gz SOJPBUCJUQZTJX-JHJVBQTASA-N 1 3 341.456 -0.071 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367381817 1133572541 /nfs/dbraw/zinc/57/25/41/1133572541.db2.gz MLPIWOPXOOFASC-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367381817 1133572545 /nfs/dbraw/zinc/57/25/45/1133572545.db2.gz MLPIWOPXOOFASC-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001367397413 1133577798 /nfs/dbraw/zinc/57/77/98/1133577798.db2.gz PELODQTVGPICTN-OLZOCXBDSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001367589965 1133661211 /nfs/dbraw/zinc/66/12/11/1133661211.db2.gz CBVPFHHZNCJIGS-QWHCGFSZSA-N 1 3 326.441 -0.842 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001367735515 1133765250 /nfs/dbraw/zinc/76/52/50/1133765250.db2.gz IDJSNALDNJUPQP-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001367738573 1133765576 /nfs/dbraw/zinc/76/55/76/1133765576.db2.gz SMNFOOCZARDVCQ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001367738573 1133765584 /nfs/dbraw/zinc/76/55/84/1133765584.db2.gz SMNFOOCZARDVCQ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)NC(N)=O)C1CCCC1 ZINC001368130499 1133952605 /nfs/dbraw/zinc/95/26/05/1133952605.db2.gz CCZBHZRAGGBIGN-GFCCVEGCSA-N 1 3 327.429 -0.602 20 0 EBADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141728 1133955244 /nfs/dbraw/zinc/95/52/44/1133955244.db2.gz YQYOEZHWEUDNDM-DGCLKSJQSA-N 1 3 341.456 -0.214 20 0 EBADHO CN1CC[C@@H](NCCN(CCO)C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001368395192 1134198070 /nfs/dbraw/zinc/19/80/70/1134198070.db2.gz IQKVCPGVJMWKEV-CQSZACIVSA-N 1 3 338.452 -0.744 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001368489450 1134250249 /nfs/dbraw/zinc/25/02/49/1134250249.db2.gz PFGQCNKOCRNCIW-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001368625653 1134337173 /nfs/dbraw/zinc/33/71/73/1134337173.db2.gz CKCIVGHKKFZSEF-CYBMUJFWSA-N 1 3 326.441 -0.401 20 0 EBADHO Cn1cc(CC[NH2+][C@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001368627149 1134339089 /nfs/dbraw/zinc/33/90/89/1134339089.db2.gz XPKKKMVLYPWXCS-QGZVFWFLSA-N 1 3 346.435 -0.129 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001368653603 1134357050 /nfs/dbraw/zinc/35/70/50/1134357050.db2.gz FGOLAUFRSCDDBB-STQMWFEESA-N 1 3 341.456 -0.391 20 0 EBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001368679945 1134377746 /nfs/dbraw/zinc/37/77/46/1134377746.db2.gz AWYFMLJPYYJBGI-ZDUSSCGKSA-N 1 3 328.457 -0.594 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001368729125 1134409614 /nfs/dbraw/zinc/40/96/14/1134409614.db2.gz WEUFYXWADCJLQO-AVGNSLFASA-N 1 3 343.472 -0.099 20 0 EBADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)NCC(=O)NC(N)=O ZINC001368848626 1134463755 /nfs/dbraw/zinc/46/37/55/1134463755.db2.gz MFAWDCUIVRJVNN-NWDGAFQWSA-N 1 3 339.440 -0.460 20 0 EBADHO COC[C@@H](O)CN1CC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092977 1134560939 /nfs/dbraw/zinc/56/09/39/1134560939.db2.gz BHVHATNXJUWYQO-HIFRSBDPSA-N 1 3 343.468 -0.459 20 0 EBADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001369131305 1134580641 /nfs/dbraw/zinc/58/06/41/1134580641.db2.gz KACCDTQZMIWSKU-LVQVYYBASA-N 1 3 334.464 -0.005 20 0 EBADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001369131305 1134580644 /nfs/dbraw/zinc/58/06/44/1134580644.db2.gz KACCDTQZMIWSKU-LVQVYYBASA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N1CCOCC1)C1CC1 ZINC001369213050 1134619007 /nfs/dbraw/zinc/61/90/07/1134619007.db2.gz LOCHRIYIFXUGIC-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369237339 1134625963 /nfs/dbraw/zinc/62/59/63/1134625963.db2.gz JVCUYGPFTPHPEX-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001369237339 1134625967 /nfs/dbraw/zinc/62/59/67/1134625967.db2.gz JVCUYGPFTPHPEX-IJLUTSLNSA-N 1 3 327.429 -0.781 20 0 EBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001369250845 1134629408 /nfs/dbraw/zinc/62/94/08/1134629408.db2.gz OFJSRZHHIHXWBE-CYBMUJFWSA-N 1 3 325.457 -0.068 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277812 1134638113 /nfs/dbraw/zinc/63/81/13/1134638113.db2.gz PCCANELFOWXVTM-NWDGAFQWSA-N 1 3 329.445 -0.391 20 0 EBADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)NC(N)=O ZINC001369291101 1134642917 /nfs/dbraw/zinc/64/29/17/1134642917.db2.gz DRHXXIFPVQQMFK-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001369350013 1134698725 /nfs/dbraw/zinc/69/87/25/1134698725.db2.gz ANEPNZWECVSQHS-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCN2CCCC2=O)C1 ZINC001369382346 1134743058 /nfs/dbraw/zinc/74/30/58/1134743058.db2.gz POGMZPCVYDAYLW-ZIAGYGMSSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCN2CCCC2=O)C1 ZINC001369382346 1134743063 /nfs/dbraw/zinc/74/30/63/1134743063.db2.gz POGMZPCVYDAYLW-ZIAGYGMSSA-N 1 3 326.441 -0.983 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CN1CCC(C)CC1 ZINC001369397763 1134758008 /nfs/dbraw/zinc/75/80/08/1134758008.db2.gz HMOQEDPETYUYLK-CHWSQXEVSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478616 1134842153 /nfs/dbraw/zinc/84/21/53/1134842153.db2.gz ALLPFCMTBIMRFL-CHWSQXEVSA-N 1 3 330.473 -0.350 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369482279 1134848838 /nfs/dbraw/zinc/84/88/38/1134848838.db2.gz SHKFOILSINZLFR-GDBMZVCRSA-N 1 3 337.468 -0.021 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369482279 1134848846 /nfs/dbraw/zinc/84/88/46/1134848846.db2.gz SHKFOILSINZLFR-GDBMZVCRSA-N 1 3 337.468 -0.021 20 0 EBADHO Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001369484407 1134853157 /nfs/dbraw/zinc/85/31/57/1134853157.db2.gz QBWJMMWXKGZGFY-CJNGLKHVSA-N 1 3 337.468 -0.021 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484668 1134854539 /nfs/dbraw/zinc/85/45/39/1134854539.db2.gz QPIHNBKDZBNKGE-KBPBESRZSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC(CCO)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001370007848 1135169153 /nfs/dbraw/zinc/16/91/53/1135169153.db2.gz MXIOETDFAZTOIO-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001370014319 1135174530 /nfs/dbraw/zinc/17/45/30/1135174530.db2.gz HBMLVIFFKJSJCC-LSDHHAIUSA-N 1 3 335.452 -0.224 20 0 EBADHO C[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167625 1135233306 /nfs/dbraw/zinc/23/33/06/1135233306.db2.gz MHNOPWLODDUYNI-JQWIXIFHSA-N 1 3 339.440 -0.462 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001370401492 1135335337 /nfs/dbraw/zinc/33/53/37/1135335337.db2.gz CXJSDPKNJFABMU-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001370401492 1135335341 /nfs/dbraw/zinc/33/53/41/1135335341.db2.gz CXJSDPKNJFABMU-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001370728257 1135556503 /nfs/dbraw/zinc/55/65/03/1135556503.db2.gz HSERAVWKMZYWSH-UONOGXRCSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001370728257 1135556507 /nfs/dbraw/zinc/55/65/07/1135556507.db2.gz HSERAVWKMZYWSH-UONOGXRCSA-N 1 3 340.468 -0.594 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001370937511 1135700872 /nfs/dbraw/zinc/70/08/72/1135700872.db2.gz YPZPMEUBYJAOHI-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001371008668 1135767976 /nfs/dbraw/zinc/76/79/76/1135767976.db2.gz BYBOENPHMORFDJ-AALSBFMBSA-N 1 3 325.453 -0.086 20 0 EBADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001371008668 1135767980 /nfs/dbraw/zinc/76/79/80/1135767980.db2.gz BYBOENPHMORFDJ-AALSBFMBSA-N 1 3 325.453 -0.086 20 0 EBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC[C@H]1CCCO1 ZINC001371434010 1135909628 /nfs/dbraw/zinc/90/96/28/1135909628.db2.gz XFJRBBPVBCVVRO-UONOGXRCSA-N 1 3 338.452 -0.528 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371616657 1135985840 /nfs/dbraw/zinc/98/58/40/1135985840.db2.gz NKPNOGRYTDBTIM-ZDUSSCGKSA-N 1 3 339.440 -0.649 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001371618717 1135986110 /nfs/dbraw/zinc/98/61/10/1135986110.db2.gz OGSKHEOOJUWREI-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO C[C@@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372947735 1136334696 /nfs/dbraw/zinc/33/46/96/1136334696.db2.gz IFFRATIYVLZFJT-LLVKDONJSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC(N)=O ZINC001373753581 1136553072 /nfs/dbraw/zinc/55/30/72/1136553072.db2.gz OTTFNYAJEDTINF-VXGBXAGGSA-N 1 3 325.413 -0.993 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC[C@@H]1CCCO1 ZINC001373966381 1136595053 /nfs/dbraw/zinc/59/50/53/1136595053.db2.gz LOYRNJBKRLSKFH-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001374026533 1136608808 /nfs/dbraw/zinc/60/88/08/1136608808.db2.gz NBRFUHCONIQNGN-AAEUAGOBSA-N 1 3 329.445 -0.630 20 0 EBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001374632704 1136763010 /nfs/dbraw/zinc/76/30/10/1136763010.db2.gz KKMXEDNVLFITMR-AWEZNQCLSA-N 1 3 342.484 -0.347 20 0 EBADHO CC1CCN(C(=O)CNC[C@@H](O)CNC(=O)CC[NH+](C)C)CC1 ZINC001374640895 1136769195 /nfs/dbraw/zinc/76/91/95/1136769195.db2.gz HXDCYPKYHQRXMV-CQSZACIVSA-N 1 3 328.457 -0.737 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374667146 1136787519 /nfs/dbraw/zinc/78/75/19/1136787519.db2.gz BAUFOPGNCJJZQT-UONOGXRCSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374667146 1136787517 /nfs/dbraw/zinc/78/75/17/1136787517.db2.gz BAUFOPGNCJJZQT-UONOGXRCSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374667147 1136787794 /nfs/dbraw/zinc/78/77/94/1136787794.db2.gz BAUFOPGNCJJZQT-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374667147 1136787798 /nfs/dbraw/zinc/78/77/98/1136787798.db2.gz BAUFOPGNCJJZQT-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374755017 1136823420 /nfs/dbraw/zinc/82/34/20/1136823420.db2.gz FUPPYQROWRTUAV-NQBHXWOUSA-N 1 3 339.440 -0.591 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374755017 1136823423 /nfs/dbraw/zinc/82/34/23/1136823423.db2.gz FUPPYQROWRTUAV-NQBHXWOUSA-N 1 3 339.440 -0.591 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001374963232 1136885421 /nfs/dbraw/zinc/88/54/21/1136885421.db2.gz TVIBUBGUWOKXKA-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@H]1[NH+](C)C ZINC000331432005 290672204 /nfs/dbraw/zinc/67/22/04/290672204.db2.gz UHFLOICFQOBBGB-SPWCGHHHSA-N 1 3 348.451 -0.918 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643594606 375921420 /nfs/dbraw/zinc/92/14/20/375921420.db2.gz XNUJZIKCVRBOKS-GJZGRUSLSA-N 1 3 337.468 -0.955 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643594608 375922346 /nfs/dbraw/zinc/92/23/46/375922346.db2.gz XNUJZIKCVRBOKS-LSDHHAIUSA-N 1 3 337.468 -0.955 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCO1 ZINC000642768953 376088669 /nfs/dbraw/zinc/08/86/69/376088669.db2.gz UTKHUQMQSSVUBE-SLEUVZQESA-N 1 3 344.481 -0.886 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000556795344 376140998 /nfs/dbraw/zinc/14/09/98/376140998.db2.gz FMHKUADJAMTOPW-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000557246514 376168088 /nfs/dbraw/zinc/16/80/88/376168088.db2.gz WXGUYBHXJMGFSH-OAHLLOKOSA-N 1 3 339.484 -0.674 20 0 EBADHO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)CN1CCN(C)CC1 ZINC000564924767 376401471 /nfs/dbraw/zinc/40/14/71/376401471.db2.gz YFHVTOHFZBHIBM-CABCVRRESA-N 1 3 349.483 -0.357 20 0 EBADHO CN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345539 376504870 /nfs/dbraw/zinc/50/48/70/376504870.db2.gz MGQYXCXXQZBBJP-KBPBESRZSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345539 376504877 /nfs/dbraw/zinc/50/48/77/376504877.db2.gz MGQYXCXXQZBBJP-KBPBESRZSA-N 1 3 325.457 -0.033 20 0 EBADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642903972 376683070 /nfs/dbraw/zinc/68/30/70/376683070.db2.gz PRGPTTJYXRBCLP-CQSZACIVSA-N 1 3 331.420 -0.012 20 0 EBADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000561203797 376815251 /nfs/dbraw/zinc/81/52/51/376815251.db2.gz OXMAGYSQMPQVRY-HOTGVXAUSA-N 1 3 339.484 -0.214 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC000562692460 376983513 /nfs/dbraw/zinc/98/35/13/376983513.db2.gz ODGSSHYABOLCKW-MRXNPFEDSA-N 1 3 328.457 -0.688 20 0 EBADHO C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000574919600 377302192 /nfs/dbraw/zinc/30/21/92/377302192.db2.gz GJAKJMJENKRVNS-MRXNPFEDSA-N 1 3 348.495 -0.039 20 0 EBADHO CN1CCC[C@H](NC(=O)COCC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000591871150 377758498 /nfs/dbraw/zinc/75/84/98/377758498.db2.gz SIUDSQIFAKDWPQ-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@H](NC(=O)COCC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000591871150 377758504 /nfs/dbraw/zinc/75/85/04/377758504.db2.gz SIUDSQIFAKDWPQ-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265891 377985375 /nfs/dbraw/zinc/98/53/75/377985375.db2.gz WIOVLEAOKZUMDP-GJZGRUSLSA-N 1 3 329.404 -0.257 20 0 EBADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595271230 377988014 /nfs/dbraw/zinc/98/80/14/377988014.db2.gz JLJQTHGBTOMTOD-GJZGRUSLSA-N 1 3 331.420 -0.141 20 0 EBADHO C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCSC1 ZINC000595269205 377988319 /nfs/dbraw/zinc/98/83/19/377988319.db2.gz QLYKGJBNTZVCHG-HUBLWGQQSA-N 1 3 341.481 -0.623 20 0 EBADHO COC(=O)c1cn(CCNC2CC[NH+](CC(C)(C)O)CC2)nn1 ZINC000602652205 378365817 /nfs/dbraw/zinc/36/58/17/378365817.db2.gz LDNAUJZPDYAQKF-UHFFFAOYSA-N 1 3 325.413 -0.110 20 0 EBADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330537 378348498 /nfs/dbraw/zinc/34/84/98/378348498.db2.gz KWBZKECRUGSRRC-CVEARBPZSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000602330537 378348502 /nfs/dbraw/zinc/34/85/02/378348502.db2.gz KWBZKECRUGSRRC-CVEARBPZSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000602330537 378348508 /nfs/dbraw/zinc/34/85/08/378348508.db2.gz KWBZKECRUGSRRC-CVEARBPZSA-N 1 3 337.512 -0.093 20 0 EBADHO COC(=O)CCNC(=O)CCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000602727022 378367574 /nfs/dbraw/zinc/36/75/74/378367574.db2.gz YQPCWIIDGMGCIM-UHFFFAOYSA-N 1 3 329.441 -0.119 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000563143433 378452418 /nfs/dbraw/zinc/45/24/18/378452418.db2.gz NAHZDGOCCUMCTJ-QWHCGFSZSA-N 1 3 327.473 -0.629 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000337792435 378696028 /nfs/dbraw/zinc/69/60/28/378696028.db2.gz CPDUQIVWFRDIRG-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000337792434 378696147 /nfs/dbraw/zinc/69/61/47/378696147.db2.gz CPDUQIVWFRDIRG-CABCVRRESA-N 1 3 340.468 -0.201 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000570956723 378717769 /nfs/dbraw/zinc/71/77/69/378717769.db2.gz BLNMYWPLWBWHDB-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCCN2CCO)CC1=O ZINC000452793209 379098363 /nfs/dbraw/zinc/09/83/63/379098363.db2.gz HHPDTRNWFOZVRJ-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C[NH2+]1 ZINC000627296831 379142832 /nfs/dbraw/zinc/14/28/32/379142832.db2.gz URXXAOGDAUXWMB-ILXRZTDVSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N1CCC(C)CC1 ZINC000627332073 379341724 /nfs/dbraw/zinc/34/17/24/379341724.db2.gz PXORDAWTCGXERY-AWEZNQCLSA-N 1 3 328.457 -0.343 20 0 EBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000627338930 379378913 /nfs/dbraw/zinc/37/89/13/379378913.db2.gz UPITUQRNXNXPAR-CQSZACIVSA-N 1 3 334.420 -0.279 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428852 379595843 /nfs/dbraw/zinc/59/58/43/379595843.db2.gz QASZWLXDENGZFO-YUELXQCFSA-N 1 3 338.452 -0.387 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000627364068 379565790 /nfs/dbraw/zinc/56/57/90/379565790.db2.gz GJBABTGZCLGJKP-LSDHHAIUSA-N 1 3 339.484 -0.613 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000642084342 379566152 /nfs/dbraw/zinc/56/61/52/379566152.db2.gz CTYOEAKTNIHCEI-UONOGXRCSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[NH2+]1 ZINC000627370985 379570971 /nfs/dbraw/zinc/57/09/71/379570971.db2.gz SDARUFWXPZDJKI-TYNCELHUSA-N 1 3 328.482 -0.203 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCOCC1 ZINC000627453416 379605646 /nfs/dbraw/zinc/60/56/46/379605646.db2.gz MYPZPAHYZBZABT-AWEZNQCLSA-N 1 3 338.452 -0.303 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCOCC[NH2+]C ZINC000627461885 379610252 /nfs/dbraw/zinc/61/02/52/379610252.db2.gz BORQHBJWXCCYRN-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627093309 379803118 /nfs/dbraw/zinc/80/31/18/379803118.db2.gz JNBZZZBHWCWERV-GPANFISMSA-N 1 3 339.484 -0.431 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000627093309 379803122 /nfs/dbraw/zinc/80/31/22/379803122.db2.gz JNBZZZBHWCWERV-GPANFISMSA-N 1 3 339.484 -0.431 20 0 EBADHO O=S(=O)(CCCN1CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631936557 379785703 /nfs/dbraw/zinc/78/57/03/379785703.db2.gz FJNUHMLJLCHYNO-HNNXBMFYSA-N 1 3 330.498 -0.218 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000642329774 379811825 /nfs/dbraw/zinc/81/18/25/379811825.db2.gz OKYDEQKRJVOIDA-BARDWOONSA-N 1 3 340.468 -0.202 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000627174059 379820781 /nfs/dbraw/zinc/82/07/81/379820781.db2.gz IEDXXHYBJHZSJI-AWEZNQCLSA-N 1 3 341.456 -0.830 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000633139012 379947752 /nfs/dbraw/zinc/94/77/52/379947752.db2.gz GBAKPQAWEPHYSZ-QLFBSQMISA-N 1 3 337.468 -0.827 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354668102 380077011 /nfs/dbraw/zinc/07/70/11/380077011.db2.gz XJDJMPJWAQSGBJ-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000546591412 380115185 /nfs/dbraw/zinc/11/51/85/380115185.db2.gz BXNGNSOXJZBMRN-ZBFHGGJFSA-N 1 3 327.473 -0.764 20 0 EBADHO C[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000546591412 380115195 /nfs/dbraw/zinc/11/51/95/380115195.db2.gz BXNGNSOXJZBMRN-ZBFHGGJFSA-N 1 3 327.473 -0.764 20 0 EBADHO CN(CCOCC[N@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000359570483 380251815 /nfs/dbraw/zinc/25/18/15/380251815.db2.gz IJRPQHUREDUBGT-HOTGVXAUSA-N 1 3 332.441 -0.831 20 0 EBADHO CN(CCOCC[N@@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000359570483 380251825 /nfs/dbraw/zinc/25/18/25/380251825.db2.gz IJRPQHUREDUBGT-HOTGVXAUSA-N 1 3 332.441 -0.831 20 0 EBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638241836 380307393 /nfs/dbraw/zinc/30/73/93/380307393.db2.gz TYTPVCQYDMGOAS-MSOLQXFVSA-N 1 3 345.491 -0.048 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000564821917 380381501 /nfs/dbraw/zinc/38/15/01/380381501.db2.gz MBTYABZVZQNMAK-UHFFFAOYSA-N 1 3 344.500 -0.149 20 0 EBADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000567222959 380507558 /nfs/dbraw/zinc/50/75/58/380507558.db2.gz GYJVIGGQRHAUSR-OAHLLOKOSA-N 1 3 339.484 -0.532 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340489679 380515718 /nfs/dbraw/zinc/51/57/18/380515718.db2.gz ZELLWTFVLFXTTK-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000567385439 380515738 /nfs/dbraw/zinc/51/57/38/380515738.db2.gz COHDATOKPCZBJA-QWHCGFSZSA-N 1 3 328.457 -0.202 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340489679 380515723 /nfs/dbraw/zinc/51/57/23/380515723.db2.gz ZELLWTFVLFXTTK-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000340574264 380551468 /nfs/dbraw/zinc/55/14/68/380551468.db2.gz FRBRDSWYBLJXCT-AWEZNQCLSA-N 1 3 340.468 -0.163 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000340574264 380551471 /nfs/dbraw/zinc/55/14/71/380551471.db2.gz FRBRDSWYBLJXCT-AWEZNQCLSA-N 1 3 340.468 -0.163 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568902171 380623571 /nfs/dbraw/zinc/62/35/71/380623571.db2.gz XOXBTLSCMPPQHD-ZJAHRSJLSA-N 1 3 336.436 -0.711 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H](CN)C1 ZINC000569093265 380629455 /nfs/dbraw/zinc/62/94/55/380629455.db2.gz PSRWJQAXPIQGMH-CABCVRRESA-N 1 3 337.468 -0.968 20 0 EBADHO CCC[NH+]1CCC(Nc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000341351789 380688986 /nfs/dbraw/zinc/68/89/86/380688986.db2.gz CIHFRFCCJGMRFA-UHFFFAOYSA-N 1 3 337.472 -0.352 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000574340466 380707978 /nfs/dbraw/zinc/70/79/78/380707978.db2.gz GYXHNFFJDFCOHM-HNNXBMFYSA-N 1 3 339.484 -0.756 20 0 EBADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000575355458 380737681 /nfs/dbraw/zinc/73/76/81/380737681.db2.gz IHYCDIOFTNGHAV-JYJNAYRXSA-N 1 3 339.484 -0.215 20 0 EBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(N2CCNCC2)ccn1 ZINC000638983621 380853205 /nfs/dbraw/zinc/85/32/05/380853205.db2.gz DFCSPDWHRVDCDQ-CQSZACIVSA-N 1 3 346.435 -0.312 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000578878158 380958341 /nfs/dbraw/zinc/95/83/41/380958341.db2.gz MLNKWUHTEHQIHV-CABCVRRESA-N 1 3 338.452 -0.351 20 0 EBADHO C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000417547963 380935986 /nfs/dbraw/zinc/93/59/86/380935986.db2.gz HNIJJEPPYDXQCT-OLZOCXBDSA-N 1 3 325.457 -0.034 20 0 EBADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579973715 381028584 /nfs/dbraw/zinc/02/85/84/381028584.db2.gz IJIGIRROCWFPOZ-MCIONIFRSA-N 1 3 325.457 -0.084 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000582542531 381051251 /nfs/dbraw/zinc/05/12/51/381051251.db2.gz ZKZQSFGQQQMTQP-INIZCTEOSA-N 1 3 345.484 -0.604 20 0 EBADHO CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000580725363 381032624 /nfs/dbraw/zinc/03/26/24/381032624.db2.gz QKOHCYHYSOWYQC-GHMZBOCLSA-N 1 3 348.455 -0.316 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000617502492 381034052 /nfs/dbraw/zinc/03/40/52/381034052.db2.gz RIDZGXHWVWKQMM-STQMWFEESA-N 1 3 334.486 -0.592 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000617502492 381034056 /nfs/dbraw/zinc/03/40/56/381034056.db2.gz RIDZGXHWVWKQMM-STQMWFEESA-N 1 3 334.486 -0.592 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418373221 381111333 /nfs/dbraw/zinc/11/13/33/381111333.db2.gz ZLBYLBPLBAHILM-KBPBESRZSA-N 1 3 325.457 -0.210 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000583746990 381132400 /nfs/dbraw/zinc/13/24/00/381132400.db2.gz JRRJSQRPQFYMPG-KBPBESRZSA-N 1 3 327.473 -0.866 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418756467 381261436 /nfs/dbraw/zinc/26/14/36/381261436.db2.gz GZUVVKBIZILHBQ-HUUCEWRRSA-N 1 3 327.473 -0.358 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419022787 381356151 /nfs/dbraw/zinc/35/61/51/381356151.db2.gz IRGQRLJTOLPGNU-ILXRZTDVSA-N 1 3 340.468 -0.201 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419028024 381356805 /nfs/dbraw/zinc/35/68/05/381356805.db2.gz PRKYDZAYNWXUSR-RBSFLKMASA-N 1 3 342.484 -0.179 20 0 EBADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419032780 381358189 /nfs/dbraw/zinc/35/81/89/381358189.db2.gz XFFWBDWBZIMLHE-KBPBESRZSA-N 1 3 340.468 -0.201 20 0 EBADHO COCCNCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418911242 381343640 /nfs/dbraw/zinc/34/36/40/381343640.db2.gz CKWSAUXPDJFVSO-YOEHRIQHSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419131029 381389457 /nfs/dbraw/zinc/38/94/57/381389457.db2.gz BWWRWODMHJJDQT-CYBMUJFWSA-N 1 3 336.436 -0.046 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145595 381397175 /nfs/dbraw/zinc/39/71/75/381397175.db2.gz GTCKAMRSOXVUEB-UONOGXRCSA-N 1 3 326.441 -0.591 20 0 EBADHO C[N@H+](CCCNC(=O)C(=O)N(CCN)CCO)C1CCCCC1 ZINC000419402683 381428177 /nfs/dbraw/zinc/42/81/77/381428177.db2.gz CTZKEHQPGNTKOW-UHFFFAOYSA-N 1 3 328.457 -0.463 20 0 EBADHO C[N@@H+](CCCNC(=O)C(=O)N(CCN)CCO)C1CCCCC1 ZINC000419402683 381428182 /nfs/dbraw/zinc/42/81/82/381428182.db2.gz CTZKEHQPGNTKOW-UHFFFAOYSA-N 1 3 328.457 -0.463 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419413993 381431060 /nfs/dbraw/zinc/43/10/60/381431060.db2.gz DRNVPKUBQHECNX-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419455352 381441232 /nfs/dbraw/zinc/44/12/32/381441232.db2.gz WNUYJVWSGAVJPF-ZNMIVQPWSA-N 1 3 340.468 -0.343 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C1CC1 ZINC000419520905 381443296 /nfs/dbraw/zinc/44/32/96/381443296.db2.gz ISLPCJJAOQYWPB-DGCLKSJQSA-N 1 3 326.441 -0.184 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C1CC1 ZINC000419520905 381443302 /nfs/dbraw/zinc/44/33/02/381443302.db2.gz ISLPCJJAOQYWPB-DGCLKSJQSA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419337997 381419022 /nfs/dbraw/zinc/41/90/22/381419022.db2.gz RPXJSAWBESYYCL-RFHZTLPTSA-N 1 3 338.452 -0.186 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419679955 381480932 /nfs/dbraw/zinc/48/09/32/381480932.db2.gz QICHPUDBNIPCOJ-SOUVJXGZSA-N 1 3 340.468 -0.343 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[N@H+](C)C1CC1 ZINC000419589709 381460003 /nfs/dbraw/zinc/46/00/03/381460003.db2.gz PLXOUBYFWKEVRD-GMXVVIOVSA-N 1 3 326.441 -0.186 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[N@@H+](C)C1CC1 ZINC000419589709 381460013 /nfs/dbraw/zinc/46/00/13/381460013.db2.gz PLXOUBYFWKEVRD-GMXVVIOVSA-N 1 3 326.441 -0.186 20 0 EBADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CNCCO1)C[NH+]1CCCC1 ZINC000419661293 381466978 /nfs/dbraw/zinc/46/69/78/381466978.db2.gz FGQQYEKUUDGXBS-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419672930 381468537 /nfs/dbraw/zinc/46/85/37/381468537.db2.gz GVOIJRNOWXZBPZ-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419672937 381468747 /nfs/dbraw/zinc/46/87/47/381468747.db2.gz GVOIJRNOWXZBPZ-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419845668 381505099 /nfs/dbraw/zinc/50/50/99/381505099.db2.gz FGWUYZAZDKQQTD-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419831262 381499831 /nfs/dbraw/zinc/49/98/31/381499831.db2.gz HHMIQNUUNZEVPA-ZIAGYGMSSA-N 1 3 325.457 -0.922 20 0 EBADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[NH3+] ZINC000419827083 381500069 /nfs/dbraw/zinc/50/00/69/381500069.db2.gz AWNNRMDMZRKTER-UHFFFAOYSA-N 1 3 328.363 -0.070 20 0 EBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCNC[C@@H]2C)CC1 ZINC000419837264 381502929 /nfs/dbraw/zinc/50/29/29/381502929.db2.gz WLEAJOAQFZRMBM-CABCVRRESA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409335 381584052 /nfs/dbraw/zinc/58/40/52/381584052.db2.gz QMOVQRWPVSTNEN-CHWSQXEVSA-N 1 3 348.451 -0.260 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420183471 381564901 /nfs/dbraw/zinc/56/49/01/381564901.db2.gz MHZOLTOAUJNUNS-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420202057 381568539 /nfs/dbraw/zinc/56/85/39/381568539.db2.gz PBDXXWJRWJYOGL-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420202057 381568547 /nfs/dbraw/zinc/56/85/47/381568547.db2.gz PBDXXWJRWJYOGL-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420172488 381571419 /nfs/dbraw/zinc/57/14/19/381571419.db2.gz VQAYTDMABSZIJN-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO Cn1c2ncn(CCN[C@@H](C[NH3+])C3CCCCC3)c2c(=O)n(C)c1=O ZINC000420378092 381584969 /nfs/dbraw/zinc/58/49/69/381584969.db2.gz WQOALPZPOGBJKK-ZDUSSCGKSA-N 1 3 348.451 -0.069 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000351488964 381628716 /nfs/dbraw/zinc/62/87/16/381628716.db2.gz GUADYWAIKLPTFR-YNEHKIRRSA-N 1 3 346.435 -0.507 20 0 EBADHO COC1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]CC1 ZINC000167412112 381624083 /nfs/dbraw/zinc/62/40/83/381624083.db2.gz KCSVXWGOLVMMDC-UHFFFAOYSA-N 1 3 338.452 -0.478 20 0 EBADHO CN(C[C@H]1CN(CC2CC[NH2+]CC2)CCO1)c1nccn(C)c1=O ZINC000261831452 381666219 /nfs/dbraw/zinc/66/62/19/381666219.db2.gz JBDKSGWRPVVZQO-HNNXBMFYSA-N 1 3 335.452 -0.083 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCOCC1 ZINC000627456018 381778594 /nfs/dbraw/zinc/77/85/94/381778594.db2.gz VPZMHGYVOBKYDC-CQSZACIVSA-N 1 3 338.452 -0.303 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612874217 381874748 /nfs/dbraw/zinc/87/47/48/381874748.db2.gz CEUSGMAXZYVRSC-BBRMVZONSA-N 1 3 325.457 -0.020 20 0 EBADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000353463709 382148373 /nfs/dbraw/zinc/14/83/73/382148373.db2.gz WMLJAFZCOZDSAC-UONOGXRCSA-N 1 3 336.440 -0.113 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629558990 382223648 /nfs/dbraw/zinc/22/36/48/382223648.db2.gz ORJSRHPCPRZAJX-HOTGVXAUSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCSC1 ZINC000331406198 155367576 /nfs/dbraw/zinc/36/75/76/155367576.db2.gz BDCPMGAOOSPNMK-ZENOOKHLSA-N 1 3 340.493 -0.392 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@@H]1[NH+](C)C ZINC000331432003 155369717 /nfs/dbraw/zinc/36/97/17/155369717.db2.gz UHFLOICFQOBBGB-MHEUCROKSA-N 1 3 348.451 -0.918 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cn1 ZINC000262090205 154211592 /nfs/dbraw/zinc/21/15/92/154211592.db2.gz UKXUDQDWZXCWIJ-OLZOCXBDSA-N 1 3 338.412 -0.994 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000342038239 156000453 /nfs/dbraw/zinc/00/04/53/156000453.db2.gz NLBQAQHFAYKEOE-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)N1CCN(C)CC1 ZINC000343436622 156133599 /nfs/dbraw/zinc/13/35/99/156133599.db2.gz DDEFAAISNCNTJT-SJORKVTESA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436622 156133602 /nfs/dbraw/zinc/13/36/02/156133602.db2.gz DDEFAAISNCNTJT-SJORKVTESA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436622 156133604 /nfs/dbraw/zinc/13/36/04/156133604.db2.gz DDEFAAISNCNTJT-SJORKVTESA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)N1CCN(C)CC1 ZINC000343436618 156134961 /nfs/dbraw/zinc/13/49/61/156134961.db2.gz DDEFAAISNCNTJT-IRXDYDNUSA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436618 156134964 /nfs/dbraw/zinc/13/49/64/156134964.db2.gz DDEFAAISNCNTJT-IRXDYDNUSA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436618 156134968 /nfs/dbraw/zinc/13/49/68/156134968.db2.gz DDEFAAISNCNTJT-IRXDYDNUSA-N 1 3 337.512 -0.236 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345244998 156316374 /nfs/dbraw/zinc/31/63/74/156316374.db2.gz COWRVMMDAVRAAL-FGTMMUONSA-N 1 3 349.523 -0.139 20 0 EBADHO CCN1CCN(CC(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000356616051 157081800 /nfs/dbraw/zinc/08/18/00/157081800.db2.gz KCQDFYRBYHFILT-UHFFFAOYSA-N 1 3 327.517 -0.034 20 0 EBADHO CCN1CCN(CC(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000356616051 157081806 /nfs/dbraw/zinc/08/18/06/157081806.db2.gz KCQDFYRBYHFILT-UHFFFAOYSA-N 1 3 327.517 -0.034 20 0 EBADHO CCN1CCN(CC(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000356616051 157081808 /nfs/dbraw/zinc/08/18/08/157081808.db2.gz KCQDFYRBYHFILT-UHFFFAOYSA-N 1 3 327.517 -0.034 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCC[C@H](C)C1 ZINC000360277335 157371410 /nfs/dbraw/zinc/37/14/10/157371410.db2.gz AXQSKLWZAOUOFV-GJZGRUSLSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1=CCN(C)CC1 ZINC000360277778 157371817 /nfs/dbraw/zinc/37/18/17/157371817.db2.gz DMVOPEXKFKTYBT-CYBMUJFWSA-N 1 3 326.441 -0.553 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000360278097 157372114 /nfs/dbraw/zinc/37/21/14/157372114.db2.gz HGMDREVMJRUKFZ-OAHLLOKOSA-N 1 3 340.468 -0.375 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419860683 419022120 /nfs/dbraw/zinc/02/21/20/419022120.db2.gz AYUXRAXIBNEIFQ-KFWWJZLASA-N 1 3 340.468 -0.058 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000518332509 419022881 /nfs/dbraw/zinc/02/28/81/419022881.db2.gz PDDMKYHXZWDINM-GJZGRUSLSA-N 1 3 342.484 -0.442 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(O)(CO)CC1 ZINC000665763688 419013350 /nfs/dbraw/zinc/01/33/50/419013350.db2.gz JBAYIMKFBDRBHI-AWEZNQCLSA-N 1 3 330.473 -0.213 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(O)(CO)CC1 ZINC000665763688 419013352 /nfs/dbraw/zinc/01/33/52/419013352.db2.gz JBAYIMKFBDRBHI-AWEZNQCLSA-N 1 3 330.473 -0.213 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652687956 419259592 /nfs/dbraw/zinc/25/95/92/419259592.db2.gz RHWLMDLWUNQXBF-RBSFLKMASA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000652624592 419241575 /nfs/dbraw/zinc/24/15/75/419241575.db2.gz LACNBEGMTIOFNQ-OLZOCXBDSA-N 1 3 336.440 -0.174 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000652623399 419241731 /nfs/dbraw/zinc/24/17/31/419241731.db2.gz HYIYIIPDCAMJQS-JSGCOSHPSA-N 1 3 336.440 -0.031 20 0 EBADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000652714699 419304892 /nfs/dbraw/zinc/30/48/92/419304892.db2.gz QDXHFMOUMHOFJU-UHFFFAOYSA-N 1 3 331.420 -0.025 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729534 419324686 /nfs/dbraw/zinc/32/46/86/419324686.db2.gz JNVZJZIWMJYNTP-LJISPDSOSA-N 1 3 340.468 -0.393 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC000652729674 419325842 /nfs/dbraw/zinc/32/58/42/419325842.db2.gz PAZJXLLKZWCORY-APIJFGDWSA-N 1 3 338.452 -0.496 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340484134 419361090 /nfs/dbraw/zinc/36/10/90/419361090.db2.gz NAWRGMOMYWIKIW-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340484134 419361095 /nfs/dbraw/zinc/36/10/95/419361095.db2.gz NAWRGMOMYWIKIW-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN(C)C(C)C)CC1=O ZINC000341294517 419388036 /nfs/dbraw/zinc/38/80/36/419388036.db2.gz ATAIIXIBYWQMRA-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN(C)C(C)C)CC1=O ZINC000341294517 419388040 /nfs/dbraw/zinc/38/80/40/419388040.db2.gz ATAIIXIBYWQMRA-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000342407098 419396991 /nfs/dbraw/zinc/39/69/91/419396991.db2.gz ICPBMNOOELBCSL-CYBMUJFWSA-N 1 3 337.472 -0.282 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000342407098 419396994 /nfs/dbraw/zinc/39/69/94/419396994.db2.gz ICPBMNOOELBCSL-CYBMUJFWSA-N 1 3 337.472 -0.282 20 0 EBADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000647966632 419401172 /nfs/dbraw/zinc/40/11/72/419401172.db2.gz ATKNHQOSGMXUMX-JKSUJKDBSA-N 1 3 326.485 -0.074 20 0 EBADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000647966632 419401180 /nfs/dbraw/zinc/40/11/80/419401180.db2.gz ATKNHQOSGMXUMX-JKSUJKDBSA-N 1 3 326.485 -0.074 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)N(C)C)O1)[NH+](C)C ZINC000666243131 419408867 /nfs/dbraw/zinc/40/88/67/419408867.db2.gz BVWBNCJDWGTBBD-KPWCQOOUSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)O1)N(C)C ZINC000666243131 419408875 /nfs/dbraw/zinc/40/88/75/419408875.db2.gz BVWBNCJDWGTBBD-KPWCQOOUSA-N 1 3 328.457 -0.333 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000520403095 419564746 /nfs/dbraw/zinc/56/47/46/419564746.db2.gz HJPZDUPTSHTIRZ-OAHLLOKOSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000653444241 419604868 /nfs/dbraw/zinc/60/48/68/419604868.db2.gz GEQNKCHMRTXMJS-MCIONIFRSA-N 1 3 326.441 -0.626 20 0 EBADHO CC1(OCC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CNC1 ZINC000648105586 419644203 /nfs/dbraw/zinc/64/42/03/419644203.db2.gz LLGIHRFRHHMMCE-UONOGXRCSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)NS(=O)(=O)NCCNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655759198 419812441 /nfs/dbraw/zinc/81/24/41/419812441.db2.gz KEFPNHVZRALFJC-CQSZACIVSA-N 1 3 334.486 -0.338 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419875678 419813173 /nfs/dbraw/zinc/81/31/73/419813173.db2.gz WWPNHCYLKFARGA-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419921963 419821114 /nfs/dbraw/zinc/82/11/14/419821114.db2.gz YSEHKCZDIAKTCB-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000420064843 419838531 /nfs/dbraw/zinc/83/85/31/419838531.db2.gz OYEJTXXDLPDFPZ-AVGNSLFASA-N 1 3 326.441 -0.374 20 0 EBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423206530 419923951 /nfs/dbraw/zinc/92/39/51/419923951.db2.gz GAPXFRGNLSPKFN-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000423226294 419924871 /nfs/dbraw/zinc/92/48/71/419924871.db2.gz QDZIARWSTTVXNU-CABCVRRESA-N 1 3 338.452 -0.351 20 0 EBADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CN1CCOCC1 ZINC000514933802 419975007 /nfs/dbraw/zinc/97/50/07/419975007.db2.gz ZANBFKUFUIISJS-IXDOHACOSA-N 1 3 327.469 -0.353 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000514999825 419975070 /nfs/dbraw/zinc/97/50/70/419975070.db2.gz TXBBBIGKWXQMRH-HNNXBMFYSA-N 1 3 342.484 -0.034 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000516007571 419987337 /nfs/dbraw/zinc/98/73/37/419987337.db2.gz PKIAEBRCKXRKOT-CQSZACIVSA-N 1 3 328.457 -0.424 20 0 EBADHO CC[N@H+](CCO)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000187107541 420708448 /nfs/dbraw/zinc/70/84/48/420708448.db2.gz PEFMDZOQVHBUQY-INIZCTEOSA-N 1 3 343.516 -0.128 20 0 EBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000187107541 420708450 /nfs/dbraw/zinc/70/84/50/420708450.db2.gz PEFMDZOQVHBUQY-INIZCTEOSA-N 1 3 343.516 -0.128 20 0 EBADHO COC[C@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000519602361 420806273 /nfs/dbraw/zinc/80/62/73/420806273.db2.gz WCBQZMZUQJDXEI-KRWDZBQOSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2nccnc2C1 ZINC000658534477 420960744 /nfs/dbraw/zinc/96/07/44/420960744.db2.gz CHECQHUUCPQGHY-UHFFFAOYSA-N 1 3 348.451 -0.687 20 0 EBADHO CN1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659609460 421004832 /nfs/dbraw/zinc/00/48/32/421004832.db2.gz WKSMCLCILXNNMY-LSDHHAIUSA-N 1 3 325.457 -0.476 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000659708637 421018631 /nfs/dbraw/zinc/01/86/31/421018631.db2.gz VDWRCKHYFOTSHF-UHFFFAOYSA-N 1 3 328.457 -0.201 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662699223 421097457 /nfs/dbraw/zinc/09/74/57/421097457.db2.gz YAPUCJYNYFFYJS-JKSUJKDBSA-N 1 3 348.447 -0.042 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000341821743 421192292 /nfs/dbraw/zinc/19/22/92/421192292.db2.gz AZXKHANWRJROLO-QGZVFWFLSA-N 1 3 348.451 -0.063 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000341821743 421192294 /nfs/dbraw/zinc/19/22/94/421192294.db2.gz AZXKHANWRJROLO-QGZVFWFLSA-N 1 3 348.451 -0.063 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CCCCN2CCO)n1 ZINC000454856260 421194975 /nfs/dbraw/zinc/19/49/75/421194975.db2.gz FJLOQVGZWHYLAQ-CQSZACIVSA-N 1 3 338.456 0.413 20 0 EBADHO C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000532608765 421206771 /nfs/dbraw/zinc/20/67/71/421206771.db2.gz ZNGOOCPOSVETEF-ZDUSSCGKSA-N 1 3 336.440 -0.159 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446800773 421209833 /nfs/dbraw/zinc/20/98/33/421209833.db2.gz FFNVKZBSOWQLRW-JSGCOSHPSA-N 1 3 348.451 -0.018 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419028026 264845178 /nfs/dbraw/zinc/84/51/78/264845178.db2.gz PRKYDZAYNWXUSR-SOUVJXGZSA-N 1 3 342.484 -0.179 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419372380 264861181 /nfs/dbraw/zinc/86/11/81/264861181.db2.gz KNUXOKPNZLAOHG-HNNXBMFYSA-N 1 3 330.432 -0.320 20 0 EBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC[NH3+])CC2)C[C@H](C)O1 ZINC000419832095 264890901 /nfs/dbraw/zinc/89/09/01/264890901.db2.gz IZMPBIAVGKKADW-OKILXGFUSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423500119 265008292 /nfs/dbraw/zinc/00/82/92/265008292.db2.gz IGUKFUDGLARWJY-OAHLLOKOSA-N 1 3 339.484 -0.709 20 0 EBADHO CN(CC[NH3+])C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000423563433 265012963 /nfs/dbraw/zinc/01/29/63/265012963.db2.gz HWJSYNHPBVQJDD-SFHVURJKSA-N 1 3 348.447 -0.501 20 0 EBADHO C[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423611541 265017874 /nfs/dbraw/zinc/01/78/74/265017874.db2.gz SABNGCKEHHYORH-CQSZACIVSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423611541 265017876 /nfs/dbraw/zinc/01/78/76/265017876.db2.gz SABNGCKEHHYORH-CQSZACIVSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423611541 265017878 /nfs/dbraw/zinc/01/78/78/265017878.db2.gz SABNGCKEHHYORH-CQSZACIVSA-N 1 3 327.473 -0.851 20 0 EBADHO C[C@@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423608015 265018895 /nfs/dbraw/zinc/01/88/95/265018895.db2.gz NFRNGUFFFIGSFY-CQSZACIVSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423608015 265018897 /nfs/dbraw/zinc/01/88/97/265018897.db2.gz NFRNGUFFFIGSFY-CQSZACIVSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423608015 265018898 /nfs/dbraw/zinc/01/88/98/265018898.db2.gz NFRNGUFFFIGSFY-CQSZACIVSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H](C)CN1 ZINC000423654884 265026870 /nfs/dbraw/zinc/02/68/70/265026870.db2.gz RJICCOPESSKILB-GJZGRUSLSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H](C)CN1 ZINC000423654884 265026872 /nfs/dbraw/zinc/02/68/72/265026872.db2.gz RJICCOPESSKILB-GJZGRUSLSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H](C)CN1 ZINC000423654884 265026874 /nfs/dbraw/zinc/02/68/74/265026874.db2.gz RJICCOPESSKILB-GJZGRUSLSA-N 1 3 341.500 -0.463 20 0 EBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000423665318 265030210 /nfs/dbraw/zinc/03/02/10/265030210.db2.gz HEYXSGOHTULZCS-QLFBSQMISA-N 1 3 340.468 -0.106 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423716738 265035579 /nfs/dbraw/zinc/03/55/79/265035579.db2.gz IXYMQAUGMYSWLX-GFCCVEGCSA-N 1 3 335.408 -0.456 20 0 EBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C[C@H]2N)cn1 ZINC000424535363 265073427 /nfs/dbraw/zinc/07/34/27/265073427.db2.gz ADSGOVYLFCJDMH-UONOGXRCSA-N 1 3 348.451 -0.726 20 0 EBADHO CN1CCN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1(C)C ZINC000442592652 265325553 /nfs/dbraw/zinc/32/55/53/265325553.db2.gz GYYVINCZYRZSLC-MRXNPFEDSA-N 1 3 329.489 -0.376 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668328993 545659900 /nfs/dbraw/zinc/65/99/00/545659900.db2.gz LTHVOUUWHJEURZ-OAHLLOKOSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668328993 545659906 /nfs/dbraw/zinc/65/99/06/545659906.db2.gz LTHVOUUWHJEURZ-OAHLLOKOSA-N 1 3 340.468 -0.498 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672009745 546078486 /nfs/dbraw/zinc/07/84/86/546078486.db2.gz RMPMCJQHTGCNKX-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640454 546115553 /nfs/dbraw/zinc/11/55/53/546115553.db2.gz IZZRQMCGALZSAD-CQSZACIVSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099678 546196693 /nfs/dbraw/zinc/19/66/93/546196693.db2.gz LCXJNGJPFUULNO-SWLSCSKDSA-N 1 3 348.451 -0.018 20 0 EBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891824 546239360 /nfs/dbraw/zinc/23/93/60/546239360.db2.gz SJHHQMWSSLTRGO-IRXDYDNUSA-N 1 3 335.496 -0.385 20 0 EBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891824 546239366 /nfs/dbraw/zinc/23/93/66/546239366.db2.gz SJHHQMWSSLTRGO-IRXDYDNUSA-N 1 3 335.496 -0.385 20 0 EBADHO Nc1cc[nH+]c(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000891567060 582558393 /nfs/dbraw/zinc/55/83/93/582558393.db2.gz VDUUVSVKONPNLN-HNNXBMFYSA-N 1 3 348.451 -0.131 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733656 582755574 /nfs/dbraw/zinc/75/55/74/582755574.db2.gz HAAYTUMUJXCULO-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733656 582755575 /nfs/dbraw/zinc/75/55/75/582755575.db2.gz HAAYTUMUJXCULO-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000900693409 582779282 /nfs/dbraw/zinc/77/92/82/582779282.db2.gz RPWHABJRXOJIMQ-DOTOQJQBSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000900693409 582779286 /nfs/dbraw/zinc/77/92/86/582779286.db2.gz RPWHABJRXOJIMQ-DOTOQJQBSA-N 1 3 326.485 -0.167 20 0 EBADHO CCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508771 582809819 /nfs/dbraw/zinc/80/98/19/582809819.db2.gz UZCSSPNSKGKAML-GASCZTMLSA-N 1 3 330.498 -0.174 20 0 EBADHO CCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508771 582809821 /nfs/dbraw/zinc/80/98/21/582809821.db2.gz UZCSSPNSKGKAML-GASCZTMLSA-N 1 3 330.498 -0.174 20 0 EBADHO CCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508771 582809823 /nfs/dbraw/zinc/80/98/23/582809823.db2.gz UZCSSPNSKGKAML-GASCZTMLSA-N 1 3 330.498 -0.174 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CCO1 ZINC000903772975 582818700 /nfs/dbraw/zinc/81/87/00/582818700.db2.gz YZCYFWFEKZGDEH-KBPBESRZSA-N 1 3 340.468 -0.249 20 0 EBADHO O=C(CN1C(=O)CCC1=O)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903903075 582823356 /nfs/dbraw/zinc/82/33/56/582823356.db2.gz FGTUGYCGRFCMQZ-GOOCMWNKSA-N 1 3 348.447 -0.190 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804057240 583639975 /nfs/dbraw/zinc/63/99/75/583639975.db2.gz OKLMLJDQISSELJ-ILXRZTDVSA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCC1 ZINC000807026856 583656975 /nfs/dbraw/zinc/65/69/75/583656975.db2.gz FILZUADNJSIDKW-UONOGXRCSA-N 1 3 338.452 -0.434 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000820848307 583781946 /nfs/dbraw/zinc/78/19/46/583781946.db2.gz QLNSMRUCDCTKCU-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000820848307 583781948 /nfs/dbraw/zinc/78/19/48/583781948.db2.gz QLNSMRUCDCTKCU-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CC(=O)N1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000824819088 583850688 /nfs/dbraw/zinc/85/06/88/583850688.db2.gz JXIFALYFPZCJCV-ZFWWWQNUSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(=O)N1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000824819088 583850689 /nfs/dbraw/zinc/85/06/89/583850689.db2.gz JXIFALYFPZCJCV-ZFWWWQNUSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(C)CCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000825924732 583870999 /nfs/dbraw/zinc/87/09/99/583870999.db2.gz DXCAVLHMYZRMPW-ZDUSSCGKSA-N 1 3 329.445 -0.674 20 0 EBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842165092 584058585 /nfs/dbraw/zinc/05/85/85/584058585.db2.gz RGVQHPVXDIHFRB-CHWSQXEVSA-N 1 3 326.441 -0.401 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000842164298 584058728 /nfs/dbraw/zinc/05/87/28/584058728.db2.gz IEZTXCBRLUGFBM-KBPBESRZSA-N 1 3 338.452 -0.256 20 0 EBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842165549 584059041 /nfs/dbraw/zinc/05/90/41/584059041.db2.gz ZFTDBYWIKGKOCH-RDBSUJKOSA-N 1 3 326.441 -0.545 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190779 584060296 /nfs/dbraw/zinc/06/02/96/584060296.db2.gz IOAYJNYZSKWBNA-HZPDHXFCSA-N 1 3 340.493 -0.106 20 0 EBADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000846331259 584124693 /nfs/dbraw/zinc/12/46/93/584124693.db2.gz SIMHERDENDJTMR-LSDHHAIUSA-N 1 3 338.452 -0.528 20 0 EBADHO [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCCN1CCCO ZINC000849113513 584166097 /nfs/dbraw/zinc/16/60/97/584166097.db2.gz QDEYJRFPFBUICH-OAHLLOKOSA-N 1 3 327.473 -0.331 20 0 EBADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999815 584450805 /nfs/dbraw/zinc/45/08/05/584450805.db2.gz PYHGTNMDDNCGPN-LPWJVIDDSA-N 1 3 340.449 -0.525 20 0 EBADHO O=C(N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@]1(F)CCNC1 ZINC000872263784 584460777 /nfs/dbraw/zinc/46/07/77/584460777.db2.gz FTOVMHAXUJFCHC-XUJVJEKNSA-N 1 3 326.372 -0.528 20 0 EBADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000875236172 584495003 /nfs/dbraw/zinc/49/50/03/584495003.db2.gz BCBIJUAYJGPEHE-RRFJBIMHSA-N 1 3 340.468 -0.006 20 0 EBADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000875236172 584495004 /nfs/dbraw/zinc/49/50/04/584495004.db2.gz BCBIJUAYJGPEHE-RRFJBIMHSA-N 1 3 340.468 -0.006 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752481 584521929 /nfs/dbraw/zinc/52/19/29/584521929.db2.gz REZFIAOUYZEQIP-DZGCQCFKSA-N 1 3 326.416 -0.299 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876748839 584521939 /nfs/dbraw/zinc/52/19/39/584521939.db2.gz HYBJRDJNAHRHPQ-IHRRRGAJSA-N 1 3 328.432 -0.007 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)CC1 ZINC000876782221 584523511 /nfs/dbraw/zinc/52/35/11/584523511.db2.gz UZLKEKUJIPAMHX-KRWDZBQOSA-N 1 3 333.480 -0.061 20 0 EBADHO CN(C)C[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000876785004 584523981 /nfs/dbraw/zinc/52/39/81/584523981.db2.gz NMRBKCKFPQBOCX-HNNXBMFYSA-N 1 3 325.501 -0.058 20 0 EBADHO CC(C)(O)C[NH+]1CCC(NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC000877731959 584534168 /nfs/dbraw/zinc/53/41/68/584534168.db2.gz DLQHJKDEVXWXGD-KRWDZBQOSA-N 1 3 341.452 -0.561 20 0 EBADHO COCCN1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000889332678 584608467 /nfs/dbraw/zinc/60/84/67/584608467.db2.gz HQUMNVJXWPMKQR-AWEZNQCLSA-N 1 3 343.472 -0.284 20 0 EBADHO COCCN1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000889332678 584608470 /nfs/dbraw/zinc/60/84/70/584608470.db2.gz HQUMNVJXWPMKQR-AWEZNQCLSA-N 1 3 343.472 -0.284 20 0 EBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000884516667 584625331 /nfs/dbraw/zinc/62/53/31/584625331.db2.gz QNEVFXCDJREMGS-AWEZNQCLSA-N 1 3 340.468 -0.010 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884559896 584627209 /nfs/dbraw/zinc/62/72/09/584627209.db2.gz IGZWGJAUHNLTJD-KBUPBQIOSA-N 1 3 336.436 -0.681 20 0 EBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000884560144 584627228 /nfs/dbraw/zinc/62/72/28/584627228.db2.gz OILIPVQMGOISRT-ILXRZTDVSA-N 1 3 338.452 -0.434 20 0 EBADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000884560133 584627285 /nfs/dbraw/zinc/62/72/85/584627285.db2.gz OAQAHPQHRGINOE-UONOGXRCSA-N 1 3 338.452 -0.304 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884597667 584628985 /nfs/dbraw/zinc/62/89/85/584628985.db2.gz GMEADNSERUFUSY-LSDHHAIUSA-N 1 3 339.484 -0.532 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884637659 584630702 /nfs/dbraw/zinc/63/07/02/584630702.db2.gz WPBBMNKKRNYGBU-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000884640152 584631042 /nfs/dbraw/zinc/63/10/42/584631042.db2.gz VIBSPMIZFVGHDM-KGLIPLIRSA-N 1 3 338.452 -0.304 20 0 EBADHO CC(C)([NH3+])CCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000884639672 584631108 /nfs/dbraw/zinc/63/11/08/584631108.db2.gz GKHKAVQQTXCCMD-UHFFFAOYSA-N 1 3 340.468 -0.009 20 0 EBADHO CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884669704 584632467 /nfs/dbraw/zinc/63/24/67/584632467.db2.gz DOQLAANGJRNTBE-CABCVRRESA-N 1 3 339.484 -0.804 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884669764 584632670 /nfs/dbraw/zinc/63/26/70/584632670.db2.gz GFNMAIXNSDWKQE-QLFBSQMISA-N 1 3 339.484 -0.676 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884674579 584633102 /nfs/dbraw/zinc/63/31/02/584633102.db2.gz ZTAJHDNMNGPYGZ-KGLIPLIRSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCN1c1ccncc1 ZINC000884690309 584634325 /nfs/dbraw/zinc/63/43/25/584634325.db2.gz UQJBLNOYEJTZPN-ZDUSSCGKSA-N 1 3 331.420 -0.013 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884721914 584635841 /nfs/dbraw/zinc/63/58/41/584635841.db2.gz ZDNPDUFPYNWLIJ-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885206918 584645838 /nfs/dbraw/zinc/64/58/38/584645838.db2.gz RSEPKURVCHWNJG-UHFFFAOYSA-N 1 3 327.473 -0.674 20 0 EBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291684 584647472 /nfs/dbraw/zinc/64/74/72/584647472.db2.gz NOYCUVCPLHCNPA-NWDGAFQWSA-N 1 3 332.395 -0.100 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CO)(CO)C1 ZINC000665763577 650032825 /nfs/dbraw/zinc/03/28/25/650032825.db2.gz GDMIQYUOFFDDMZ-AWEZNQCLSA-N 1 3 330.473 -0.355 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CO)(CO)C1 ZINC000665763577 650032829 /nfs/dbraw/zinc/03/28/29/650032829.db2.gz GDMIQYUOFFDDMZ-AWEZNQCLSA-N 1 3 330.473 -0.355 20 0 EBADHO CN(CCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)C1CC1 ZINC000911054730 650147835 /nfs/dbraw/zinc/14/78/35/650147835.db2.gz XMYRDWPKEWAOLE-UHFFFAOYSA-N 1 3 338.452 -0.432 20 0 EBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000911148441 650154103 /nfs/dbraw/zinc/15/41/03/650154103.db2.gz OILIPVQMGOISRT-KKUMJFAQSA-N 1 3 338.452 -0.434 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000911147800 650154112 /nfs/dbraw/zinc/15/41/12/650154112.db2.gz JOCAAHGOTCOHFO-ZIAGYGMSSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149589 650154912 /nfs/dbraw/zinc/15/49/12/650154912.db2.gz YAWHPWMEPZXEBU-YJNKXOJESA-N 1 3 336.436 -0.966 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CCSC1 ZINC000911199071 650158793 /nfs/dbraw/zinc/15/87/93/650158793.db2.gz JUSQNYYIXYYRRM-UHOFOFEASA-N 1 3 340.493 -0.120 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[C@@H]1C[NH3+] ZINC000911198120 650158956 /nfs/dbraw/zinc/15/89/56/650158956.db2.gz GAPAHKFJSRQUPA-XJKCOSOUSA-N 1 3 342.509 -0.017 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCSC1 ZINC000911201607 650159068 /nfs/dbraw/zinc/15/90/68/650159068.db2.gz XEICPFJMRWZXKK-SWLSCSKDSA-N 1 3 328.482 -0.263 20 0 EBADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCNCCNCC1)C(C)C ZINC000911228356 650160946 /nfs/dbraw/zinc/16/09/46/650160946.db2.gz IFHVHOIGEDGDNL-UHFFFAOYSA-N 1 3 341.500 -0.367 20 0 EBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccnc1 ZINC000911312153 650169964 /nfs/dbraw/zinc/16/99/64/650169964.db2.gz VQSCOBIYYBTPKB-GJZGRUSLSA-N 1 3 349.435 -0.705 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911410990 650179377 /nfs/dbraw/zinc/17/93/77/650179377.db2.gz IXDVMWCAJBFACR-CQSZACIVSA-N 1 3 325.457 -0.922 20 0 EBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000911413750 650180274 /nfs/dbraw/zinc/18/02/74/650180274.db2.gz IQTWZKZSWQSYHY-OAHLLOKOSA-N 1 3 337.468 -0.778 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C[C@H]1C[NH3+] ZINC000911531490 650191031 /nfs/dbraw/zinc/19/10/31/650191031.db2.gz HNTDSYCWYDFADO-ZIAGYGMSSA-N 1 3 340.468 -0.343 20 0 EBADHO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)C2CNC2)c1 ZINC000923602843 650346636 /nfs/dbraw/zinc/34/66/36/650346636.db2.gz FSTAANAKLLROQN-UHFFFAOYSA-N 1 3 340.449 -0.631 20 0 EBADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926318011 650385563 /nfs/dbraw/zinc/38/55/63/650385563.db2.gz XPJQCGJMSAHEET-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926333410 650386593 /nfs/dbraw/zinc/38/65/93/650386593.db2.gz JNOLWIDHHNLGDT-BBRMVZONSA-N 1 3 326.441 -0.759 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C[NH+](C)C ZINC000930490990 651598352 /nfs/dbraw/zinc/59/83/52/651598352.db2.gz KAEQNJPXNVAJCA-YUELXQCFSA-N 1 3 340.468 -0.332 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)CC[N@@H+]1C ZINC000944617579 652912056 /nfs/dbraw/zinc/91/20/56/652912056.db2.gz YVMXTHZSENYMED-VHDGCEQUSA-N 1 3 349.435 -0.364 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)CC[N@H+]1C ZINC000944617579 652912060 /nfs/dbraw/zinc/91/20/60/652912060.db2.gz YVMXTHZSENYMED-VHDGCEQUSA-N 1 3 349.435 -0.364 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC000946924907 653270715 /nfs/dbraw/zinc/27/07/15/653270715.db2.gz LGTZWTJPXNDLMZ-UONOGXRCSA-N 1 3 338.452 -0.842 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000946924840 653270745 /nfs/dbraw/zinc/27/07/45/653270745.db2.gz KGCUGIVKYSUPNM-ZIAGYGMSSA-N 1 3 340.468 -0.500 20 0 EBADHO CN1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946925788 653272057 /nfs/dbraw/zinc/27/20/57/653272057.db2.gz UIUBYDZXGXNKRJ-ZIAGYGMSSA-N 1 3 338.452 -0.698 20 0 EBADHO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(CN)ncn1)CC2 ZINC001164752296 720951015 /nfs/dbraw/zinc/95/10/15/720951015.db2.gz XMMLOVOIYQRTPH-UHFFFAOYSA-N 1 3 345.407 -0.223 20 0 EBADHO Cn1cc(CCN2C[C@H](O)[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958373216 722353857 /nfs/dbraw/zinc/35/38/57/722353857.db2.gz DGGUDFSANVSYHR-SJORKVTESA-N 1 3 349.479 -0.287 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1 ZINC000958400494 722360560 /nfs/dbraw/zinc/36/05/60/722360560.db2.gz VQNGXLCUTJIXQH-DLBZAZTESA-N 1 3 335.448 -0.195 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958978367 722680834 /nfs/dbraw/zinc/68/08/34/722680834.db2.gz CCJYDFXMTHBWSD-SNPRPXQTSA-N 1 3 349.435 -0.676 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958978367 722680835 /nfs/dbraw/zinc/68/08/35/722680835.db2.gz CCJYDFXMTHBWSD-SNPRPXQTSA-N 1 3 349.435 -0.676 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959915151 722774745 /nfs/dbraw/zinc/77/47/45/722774745.db2.gz RNZFRPNELMHPGI-CBZIJGRNSA-N 1 3 346.475 -0.003 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959919509 722775292 /nfs/dbraw/zinc/77/52/92/722775292.db2.gz IWBIKBFWDAZDRT-WCVJEAGWSA-N 1 3 347.463 -0.600 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC000960086336 722790662 /nfs/dbraw/zinc/79/06/62/722790662.db2.gz JJBWFIWFQAOFJX-MELADBBJSA-N 1 3 336.436 -0.144 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001018999182 728770441 /nfs/dbraw/zinc/77/04/41/728770441.db2.gz IXPTVKYDPFDZCJ-BBRMVZONSA-N 1 3 338.452 -0.088 20 0 EBADHO CC(C)(C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)[NH+]1CCCC1 ZINC000961454699 723021194 /nfs/dbraw/zinc/02/11/94/723021194.db2.gz BFDDTUHZASKTJZ-FICVDOATSA-N 1 3 349.479 -0.068 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962300624 723221521 /nfs/dbraw/zinc/22/15/21/723221521.db2.gz UPJVXADXALULOB-VIKVFOODSA-N 1 3 346.431 -0.722 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)CC1 ZINC001019322663 728859106 /nfs/dbraw/zinc/85/91/06/728859106.db2.gz CRDUSVTZVGYKDW-HNNXBMFYSA-N 1 3 338.452 -0.623 20 0 EBADHO O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000964420702 724006405 /nfs/dbraw/zinc/00/64/05/724006405.db2.gz UQWGMYLJCVYUKZ-VOFHBIRMSA-N 1 3 335.448 -0.141 20 0 EBADHO O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@H]1CN2CC3CC2(C3)CO1 ZINC000964420705 724006429 /nfs/dbraw/zinc/00/64/29/724006429.db2.gz UQWGMYLJCVYUKZ-WOAWNZISSA-N 1 3 335.448 -0.141 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)cn1 ZINC001019496965 728900861 /nfs/dbraw/zinc/90/08/61/728900861.db2.gz HUMBEKDFMBOPMO-GJZGRUSLSA-N 1 3 348.451 -0.473 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC000968921833 725129005 /nfs/dbraw/zinc/12/90/05/725129005.db2.gz KVTNYIYJPBYQAT-CYBMUJFWSA-N 1 3 336.436 -0.190 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)N(C)C ZINC000969077375 725148597 /nfs/dbraw/zinc/14/85/97/725148597.db2.gz PILBDGXWYRHLMY-RRFJBIMHSA-N 1 3 340.468 -0.236 20 0 EBADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000969100131 725151592 /nfs/dbraw/zinc/15/15/92/725151592.db2.gz YDLCYILXPHVKMW-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC000970745068 725323169 /nfs/dbraw/zinc/32/31/69/725323169.db2.gz IAOJDDLNARZDHP-GOEBONIOSA-N 1 3 347.463 -0.224 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000971563275 725421831 /nfs/dbraw/zinc/42/18/31/725421831.db2.gz LRMWFQVMOQEPSR-RBSFLKMASA-N 1 3 337.468 -0.116 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000971563275 725421832 /nfs/dbraw/zinc/42/18/32/725421832.db2.gz LRMWFQVMOQEPSR-RBSFLKMASA-N 1 3 337.468 -0.116 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714457 725566343 /nfs/dbraw/zinc/56/63/43/725566343.db2.gz YKQQFPHUDJHXHA-FLRRBRPGSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714457 725566346 /nfs/dbraw/zinc/56/63/46/725566346.db2.gz YKQQFPHUDJHXHA-FLRRBRPGSA-N 1 3 348.447 -0.872 20 0 EBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896455 725670538 /nfs/dbraw/zinc/67/05/38/725670538.db2.gz WBDAAFLJIKKQRF-CVEARBPZSA-N 1 3 334.464 -0.005 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993565789 725904429 /nfs/dbraw/zinc/90/44/29/725904429.db2.gz ACZZZRWMSSYPGJ-HUUCEWRRSA-N 1 3 336.436 -0.728 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000993565789 725904431 /nfs/dbraw/zinc/90/44/31/725904431.db2.gz ACZZZRWMSSYPGJ-HUUCEWRRSA-N 1 3 336.436 -0.728 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993565777 725904558 /nfs/dbraw/zinc/90/45/58/725904558.db2.gz ACZZZRWMSSYPGJ-CABCVRRESA-N 1 3 336.436 -0.728 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000993565777 725904560 /nfs/dbraw/zinc/90/45/60/725904560.db2.gz ACZZZRWMSSYPGJ-CABCVRRESA-N 1 3 336.436 -0.728 20 0 EBADHO O=C(N1CCO[C@H](CN[C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697305 735332746 /nfs/dbraw/zinc/33/27/46/735332746.db2.gz BBKXXSQIPKGKOK-KGLIPLIRSA-N 1 3 336.436 -0.680 20 0 EBADHO CC1(C)CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC(N)=O ZINC000996069483 726329117 /nfs/dbraw/zinc/32/91/17/726329117.db2.gz JNNDXACGCYLMJC-UDRCLVEDSA-N 1 3 336.436 -0.839 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976542850 726341939 /nfs/dbraw/zinc/34/19/39/726341939.db2.gz XWFYSTQKMRATNX-LVNYTYFRSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000976542850 726341941 /nfs/dbraw/zinc/34/19/41/726341941.db2.gz XWFYSTQKMRATNX-LVNYTYFRSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000976544919 726342824 /nfs/dbraw/zinc/34/28/24/726342824.db2.gz JDUTZTFEYYYUFU-LVNYTYFRSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000976544919 726342826 /nfs/dbraw/zinc/34/28/26/726342826.db2.gz JDUTZTFEYYYUFU-LVNYTYFRSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@@H](N[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996473682 726402232 /nfs/dbraw/zinc/40/22/32/726402232.db2.gz VWEYRIBKDFXTKB-OCCSQVGLSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363077 726516365 /nfs/dbraw/zinc/51/63/65/726516365.db2.gz BYYUPAPHPMVOCQ-HUUCEWRRSA-N 1 3 337.468 -0.068 20 0 EBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999873038 726537240 /nfs/dbraw/zinc/53/72/40/726537240.db2.gz VLXPITHAPBILAD-BBRMVZONSA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(NCc1cn([C@@H]2CCN(CCO)C2)nn1)[C@@H]1C[NH+]2CCC1CC2 ZINC000999986996 726547495 /nfs/dbraw/zinc/54/74/95/726547495.db2.gz MKNCEUNCJBSJAM-HZPDHXFCSA-N 1 3 348.451 -0.525 20 0 EBADHO C[C@H](N[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001000435629 726566924 /nfs/dbraw/zinc/56/69/24/726566924.db2.gz ZRUIFFNQIDHZLM-JSGCOSHPSA-N 1 3 336.440 -0.487 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000570933 726571320 /nfs/dbraw/zinc/57/13/20/726571320.db2.gz HLPGXDNCLPJCIG-ZFWWWQNUSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002082996 726631964 /nfs/dbraw/zinc/63/19/64/726631964.db2.gz GSXJOTXRCQCHSH-JKSUJKDBSA-N 1 3 334.464 -0.003 20 0 EBADHO CN1CC[C@@H](NC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)C1=O ZINC001051800688 735404189 /nfs/dbraw/zinc/40/41/89/735404189.db2.gz DUJGZIBWZBDFCI-LSDHHAIUSA-N 1 3 338.452 -0.624 20 0 EBADHO CN1CC[C@@H](NC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)C1=O ZINC001051800687 735404279 /nfs/dbraw/zinc/40/42/79/735404279.db2.gz DUJGZIBWZBDFCI-HUUCEWRRSA-N 1 3 338.452 -0.624 20 0 EBADHO CN1CC[C@H](N[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC001018861387 728696207 /nfs/dbraw/zinc/69/62/07/728696207.db2.gz RZLNIFIMAAVTAC-KBPBESRZSA-N 1 3 348.451 -0.521 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406279 729160134 /nfs/dbraw/zinc/16/01/34/729160134.db2.gz OZQRNBJXCHWRGH-DCUDBCFGSA-N 1 3 348.447 -0.635 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001020508415 729188843 /nfs/dbraw/zinc/18/88/43/729188843.db2.gz YJNYNEOAWZGJFB-MGPQQGTHSA-N 1 3 336.440 -0.339 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020590355 729206006 /nfs/dbraw/zinc/20/60/06/729206006.db2.gz TYTMCWJXKGPKFA-AVGNSLFASA-N 1 3 337.424 -0.883 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022712003 729524445 /nfs/dbraw/zinc/52/44/45/729524445.db2.gz ICOYLTYQYHWMPW-KFWWJZLASA-N 1 3 338.452 -0.434 20 0 EBADHO CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001023550834 729721614 /nfs/dbraw/zinc/72/16/14/729721614.db2.gz NTDMSAXQRFBHTQ-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001023550834 729721617 /nfs/dbraw/zinc/72/16/17/729721617.db2.gz NTDMSAXQRFBHTQ-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779058 730086765 /nfs/dbraw/zinc/08/67/65/730086765.db2.gz WPKRRJFHHJYSAS-AQRJEWBLSA-N 1 3 348.447 -0.289 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779058 730086768 /nfs/dbraw/zinc/08/67/68/730086768.db2.gz WPKRRJFHHJYSAS-AQRJEWBLSA-N 1 3 348.447 -0.289 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043241 730117500 /nfs/dbraw/zinc/11/75/00/730117500.db2.gz FPJQYTLBRXKMKI-YXISZKLHSA-N 1 3 347.463 -0.368 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043241 730117503 /nfs/dbraw/zinc/11/75/03/730117503.db2.gz FPJQYTLBRXKMKI-YXISZKLHSA-N 1 3 347.463 -0.368 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001027091675 730187590 /nfs/dbraw/zinc/18/75/90/730187590.db2.gz RPUHLMLIBOZGQT-QWHCGFSZSA-N 1 3 340.449 -0.175 20 0 EBADHO O=C(NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028931676 730372377 /nfs/dbraw/zinc/37/23/77/730372377.db2.gz VISUQKFMJNFWCD-ZDUSSCGKSA-N 1 3 349.435 -0.928 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001030019277 730536138 /nfs/dbraw/zinc/53/61/38/730536138.db2.gz CIVUTGVAFJOLNV-YDHLFZDLSA-N 1 3 338.452 -0.042 20 0 EBADHO O=C(NCC1CN(C[C@@H](O)Cn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031672534 730749181 /nfs/dbraw/zinc/74/91/81/730749181.db2.gz JKZXSYYIQLEDMQ-IAGOWNOFSA-N 1 3 347.463 -0.366 20 0 EBADHO O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031857453 730781146 /nfs/dbraw/zinc/78/11/46/730781146.db2.gz VNIDIBVLPRIILX-KDWRMLKXSA-N 1 3 335.448 -0.066 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760373 731523239 /nfs/dbraw/zinc/52/32/39/731523239.db2.gz LXSXSLSJQKPJPV-WMLDXEAASA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760373 731523241 /nfs/dbraw/zinc/52/32/41/731523241.db2.gz LXSXSLSJQKPJPV-WMLDXEAASA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760893 731524900 /nfs/dbraw/zinc/52/49/00/731524900.db2.gz VFKUZNJHWINELI-PBHICJAKSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039760893 731524902 /nfs/dbraw/zinc/52/49/02/731524902.db2.gz VFKUZNJHWINELI-PBHICJAKSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039787424 731535287 /nfs/dbraw/zinc/53/52/87/731535287.db2.gz NFRFBFOCPMKEKJ-WMLDXEAASA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039787424 731535289 /nfs/dbraw/zinc/53/52/89/731535289.db2.gz NFRFBFOCPMKEKJ-WMLDXEAASA-N 1 3 340.468 -0.641 20 0 EBADHO CN(CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001040146385 731622559 /nfs/dbraw/zinc/62/25/59/731622559.db2.gz FUUJBZBQFRMTLR-QGZVFWFLSA-N 1 3 340.468 -0.498 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040453937 731740916 /nfs/dbraw/zinc/74/09/16/731740916.db2.gz OCLFKLUUWAJPHV-GUYCJALGSA-N 1 3 349.435 -0.708 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040453937 731740917 /nfs/dbraw/zinc/74/09/17/731740917.db2.gz OCLFKLUUWAJPHV-GUYCJALGSA-N 1 3 349.435 -0.708 20 0 EBADHO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040718471 731845921 /nfs/dbraw/zinc/84/59/21/731845921.db2.gz LILJMHMSEQHDTM-PBHICJAKSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797135 731878414 /nfs/dbraw/zinc/87/84/14/731878414.db2.gz AXADDCXIRHTUHC-INIZCTEOSA-N 1 3 328.457 -0.641 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797402 731878761 /nfs/dbraw/zinc/87/87/61/731878761.db2.gz FYYWNLXHAPEPRS-WMLDXEAASA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001040797613 731879413 /nfs/dbraw/zinc/87/94/13/731879413.db2.gz KLBNJBURWWHJQO-NVXWUHKLSA-N 1 3 342.484 -0.396 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041489345 732139671 /nfs/dbraw/zinc/13/96/71/732139671.db2.gz UEFACJAJTPERAC-FYRJDAGRSA-N 1 3 335.448 -0.234 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041489345 732139674 /nfs/dbraw/zinc/13/96/74/732139674.db2.gz UEFACJAJTPERAC-FYRJDAGRSA-N 1 3 335.448 -0.234 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043159839 732795517 /nfs/dbraw/zinc/79/55/17/732795517.db2.gz JPRYVHJMQXFHJU-OAHLLOKOSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261099 732847333 /nfs/dbraw/zinc/84/73/33/732847333.db2.gz HGEPDGHKZSUJFB-MCIONIFRSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261099 732847338 /nfs/dbraw/zinc/84/73/38/732847338.db2.gz HGEPDGHKZSUJFB-MCIONIFRSA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061651655 738672686 /nfs/dbraw/zinc/67/26/86/738672686.db2.gz UHXVKXQEQFTGTJ-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001043679294 733056732 /nfs/dbraw/zinc/05/67/32/733056732.db2.gz YIJLQVNXNQVQEP-KGLIPLIRSA-N 1 3 342.484 -0.398 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001061654759 738674093 /nfs/dbraw/zinc/67/40/93/738674093.db2.gz BRKWEGWVAKWCGT-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001044043559 733259935 /nfs/dbraw/zinc/25/99/35/733259935.db2.gz CCHYIBWTBOXPNH-AWEZNQCLSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001044246544 733338290 /nfs/dbraw/zinc/33/82/90/733338290.db2.gz NNKZZCVYYGFNNO-CQSZACIVSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001044298022 733364535 /nfs/dbraw/zinc/36/45/35/733364535.db2.gz GEWQCAQQPSEOPA-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001044299140 733366707 /nfs/dbraw/zinc/36/67/07/733366707.db2.gz WZZXEYJYBNGBRX-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001061739696 738731298 /nfs/dbraw/zinc/73/12/98/738731298.db2.gz DBZIRJCFOPDYSC-GOEBONIOSA-N 1 3 342.484 -0.132 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001045413422 733689925 /nfs/dbraw/zinc/68/99/25/733689925.db2.gz NYJIXUIZLQECGV-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001046059628 733838397 /nfs/dbraw/zinc/83/83/97/733838397.db2.gz LLCUTXYBOVLNSO-HZPDHXFCSA-N 1 3 326.485 -0.217 20 0 EBADHO CC(C)[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001046059628 733838401 /nfs/dbraw/zinc/83/84/01/733838401.db2.gz LLCUTXYBOVLNSO-HZPDHXFCSA-N 1 3 326.485 -0.217 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046684723 734003078 /nfs/dbraw/zinc/00/30/78/734003078.db2.gz LPBHKLCWRSMKKN-ZIAGYGMSSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046684723 734003080 /nfs/dbraw/zinc/00/30/80/734003080.db2.gz LPBHKLCWRSMKKN-ZIAGYGMSSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047428451 734190039 /nfs/dbraw/zinc/19/00/39/734190039.db2.gz AQZQHBPOKWDGCI-IKGGRYGDSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@H]1CCCCN1C)[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047428451 734190040 /nfs/dbraw/zinc/19/00/40/734190040.db2.gz AQZQHBPOKWDGCI-IKGGRYGDSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001047428451 734190041 /nfs/dbraw/zinc/19/00/41/734190041.db2.gz AQZQHBPOKWDGCI-IKGGRYGDSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001047428451 734190043 /nfs/dbraw/zinc/19/00/43/734190043.db2.gz AQZQHBPOKWDGCI-IKGGRYGDSA-N 1 3 349.479 -0.050 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862656 738791513 /nfs/dbraw/zinc/79/15/13/738791513.db2.gz WMQQTAHMCBFXIV-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cc1c[nH]cn1 ZINC001061898546 738803353 /nfs/dbraw/zinc/80/33/53/738803353.db2.gz KKJRSQLLXKESKH-AWEZNQCLSA-N 1 3 337.424 -0.362 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cc1c[nH]cn1 ZINC001061898546 738803357 /nfs/dbraw/zinc/80/33/57/738803357.db2.gz KKJRSQLLXKESKH-AWEZNQCLSA-N 1 3 337.424 -0.362 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907596 738810944 /nfs/dbraw/zinc/81/09/44/738810944.db2.gz KJWYWOIIJVRKHQ-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863796 734543677 /nfs/dbraw/zinc/54/36/77/734543677.db2.gz LIOOUWHXPWONFS-HLPPOEQASA-N 1 3 348.447 -0.478 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863796 734543679 /nfs/dbraw/zinc/54/36/79/734543679.db2.gz LIOOUWHXPWONFS-HLPPOEQASA-N 1 3 348.447 -0.478 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048943382 734579064 /nfs/dbraw/zinc/57/90/64/734579064.db2.gz BLXRGGWIVYLZDF-SYGRHNPNSA-N 1 3 335.448 -0.378 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048943382 734579067 /nfs/dbraw/zinc/57/90/67/734579067.db2.gz BLXRGGWIVYLZDF-SYGRHNPNSA-N 1 3 335.448 -0.378 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059207 734630882 /nfs/dbraw/zinc/63/08/82/734630882.db2.gz NRIPFYUICNWBGC-LVQVYYBASA-N 1 3 334.464 -0.003 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059207 734630883 /nfs/dbraw/zinc/63/08/83/734630883.db2.gz NRIPFYUICNWBGC-LVQVYYBASA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001050234496 734875937 /nfs/dbraw/zinc/87/59/37/734875937.db2.gz HGUGZBMPXJCAPR-KGLIPLIRSA-N 1 3 336.436 -0.284 20 0 EBADHO O=C(N[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001052871232 735708704 /nfs/dbraw/zinc/70/87/04/735708704.db2.gz FGOIKPCFXCJMMH-UONOGXRCSA-N 1 3 348.447 -0.142 20 0 EBADHO CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001055622323 736409459 /nfs/dbraw/zinc/40/94/59/736409459.db2.gz FDXUVIRIMCAVSF-INIZCTEOSA-N 1 3 340.468 -0.188 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001055954114 736568659 /nfs/dbraw/zinc/56/86/59/736568659.db2.gz ORBSDTQYQVOUAG-CXAGYDPISA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001055954114 736568661 /nfs/dbraw/zinc/56/86/61/736568661.db2.gz ORBSDTQYQVOUAG-CXAGYDPISA-N 1 3 349.435 -0.626 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001057864127 737485340 /nfs/dbraw/zinc/48/53/40/737485340.db2.gz COAMIKDTKCBGAV-HNNXBMFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001057864127 737485342 /nfs/dbraw/zinc/48/53/42/737485342.db2.gz COAMIKDTKCBGAV-HNNXBMFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CN(CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001057903717 737522867 /nfs/dbraw/zinc/52/28/67/737522867.db2.gz UULWKYLYZUZPEM-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001057903717 737522868 /nfs/dbraw/zinc/52/28/68/737522868.db2.gz UULWKYLYZUZPEM-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](CC)N(C)C ZINC001057975370 737572759 /nfs/dbraw/zinc/57/27/59/737572759.db2.gz PTRFTYWEBIOAKY-OAHLLOKOSA-N 1 3 344.500 -0.004 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](CC)N(C)C ZINC001057975370 737572760 /nfs/dbraw/zinc/57/27/60/737572760.db2.gz PTRFTYWEBIOAKY-OAHLLOKOSA-N 1 3 344.500 -0.004 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001057975522 737573140 /nfs/dbraw/zinc/57/31/40/737573140.db2.gz VDOFWVCBYDAADU-OAHLLOKOSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163234 737686403 /nfs/dbraw/zinc/68/64/03/737686403.db2.gz ANPGIFVGVNLRBK-UHFFFAOYSA-N 1 3 340.468 -0.639 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CN(C)C1CCC1 ZINC001058817991 738005438 /nfs/dbraw/zinc/00/54/38/738005438.db2.gz YYSRVHWNYDYECK-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CN(C)C1CCC1 ZINC001058817991 738005439 /nfs/dbraw/zinc/00/54/39/738005439.db2.gz YYSRVHWNYDYECK-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO C[C@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001058846769 738027570 /nfs/dbraw/zinc/02/75/70/738027570.db2.gz FJSCVXVXEPYERS-LSDHHAIUSA-N 1 3 340.468 -0.783 20 0 EBADHO C[C@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001058846769 738027572 /nfs/dbraw/zinc/02/75/72/738027572.db2.gz FJSCVXVXEPYERS-LSDHHAIUSA-N 1 3 340.468 -0.783 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)CC1 ZINC001058947907 738087157 /nfs/dbraw/zinc/08/71/57/738087157.db2.gz DGLOFXGNBKPVDT-UHFFFAOYSA-N 1 3 337.424 -0.769 20 0 EBADHO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948929 738089790 /nfs/dbraw/zinc/08/97/90/738089790.db2.gz GIGYQKDMXJMVCM-UHFFFAOYSA-N 1 3 325.413 -0.769 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001065169708 739574563 /nfs/dbraw/zinc/57/45/63/739574563.db2.gz PZGPNORAXLLXOH-UONOGXRCSA-N 1 3 349.435 -0.444 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065169708 739574565 /nfs/dbraw/zinc/57/45/65/739574565.db2.gz PZGPNORAXLLXOH-UONOGXRCSA-N 1 3 349.435 -0.444 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170275 739575726 /nfs/dbraw/zinc/57/57/26/739575726.db2.gz YIWFRVXZUXKTTN-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001065170275 739575732 /nfs/dbraw/zinc/57/57/32/739575732.db2.gz YIWFRVXZUXKTTN-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065256326 739616195 /nfs/dbraw/zinc/61/61/95/739616195.db2.gz JSELJCKKAFPENI-GJZGRUSLSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001065256326 739616198 /nfs/dbraw/zinc/61/61/98/739616198.db2.gz JSELJCKKAFPENI-GJZGRUSLSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001065261440 739618641 /nfs/dbraw/zinc/61/86/41/739618641.db2.gz BBIAUNYSKXPOBF-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433214 741398819 /nfs/dbraw/zinc/39/88/19/741398819.db2.gz SSJNKRHNUWTYCN-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433699 741399131 /nfs/dbraw/zinc/39/91/31/741399131.db2.gz ZSDDAWDBVRNCEZ-CABCVRRESA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072981244 741533853 /nfs/dbraw/zinc/53/38/53/741533853.db2.gz BKURXPPYKNRLBC-LSDHHAIUSA-N 1 3 349.479 -0.256 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072981244 741533855 /nfs/dbraw/zinc/53/38/55/741533855.db2.gz BKURXPPYKNRLBC-LSDHHAIUSA-N 1 3 349.479 -0.256 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CCC2=O)C3)C1 ZINC001073425961 741611962 /nfs/dbraw/zinc/61/19/62/741611962.db2.gz MROUTVXLCWIFFY-CQSZACIVSA-N 1 3 348.447 -0.379 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CCC2=O)C3)C1 ZINC001073425961 741611965 /nfs/dbraw/zinc/61/19/65/741611965.db2.gz MROUTVXLCWIFFY-CQSZACIVSA-N 1 3 348.447 -0.379 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074565044 741999950 /nfs/dbraw/zinc/99/99/50/741999950.db2.gz PEXJZEZHKHDCTD-RWMBFGLXSA-N 1 3 337.424 -0.789 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106404 742181230 /nfs/dbraw/zinc/18/12/30/742181230.db2.gz BYUOTYIDSLZEKS-ZNMIVQPWSA-N 1 3 338.452 -0.624 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106404 742181232 /nfs/dbraw/zinc/18/12/32/742181232.db2.gz BYUOTYIDSLZEKS-ZNMIVQPWSA-N 1 3 338.452 -0.624 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078174819 743516278 /nfs/dbraw/zinc/51/62/78/743516278.db2.gz UCPGIOQEUGHBPO-ARFHVFGLSA-N 1 3 325.453 -0.084 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001078174819 743516280 /nfs/dbraw/zinc/51/62/80/743516280.db2.gz UCPGIOQEUGHBPO-ARFHVFGLSA-N 1 3 325.453 -0.084 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)NC(=O)COCC[NH+](C)C ZINC001078472995 743665585 /nfs/dbraw/zinc/66/55/85/743665585.db2.gz NAGCSSGQDUGEOS-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391969 805880440 /nfs/dbraw/zinc/88/04/40/805880440.db2.gz UKQPVDVUVHQRAG-STQMWFEESA-N 1 3 337.424 -0.977 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980391969 805880448 /nfs/dbraw/zinc/88/04/48/805880448.db2.gz UKQPVDVUVHQRAG-STQMWFEESA-N 1 3 337.424 -0.977 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980391967 805880557 /nfs/dbraw/zinc/88/05/57/805880557.db2.gz UKQPVDVUVHQRAG-OLZOCXBDSA-N 1 3 337.424 -0.977 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980391967 805880569 /nfs/dbraw/zinc/88/05/69/805880569.db2.gz UKQPVDVUVHQRAG-OLZOCXBDSA-N 1 3 337.424 -0.977 20 0 EBADHO CCN1CCN(CC(=O)N2CC[NH+](CCCCCO)CC2)CC1 ZINC000913691985 803806048 /nfs/dbraw/zinc/80/60/48/803806048.db2.gz SJSFXMFKHWXEFM-UHFFFAOYSA-N 1 3 326.485 -0.069 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000976870469 803924446 /nfs/dbraw/zinc/92/44/46/803924446.db2.gz YLGMVUHSDLHHMI-HVOFVXBASA-N 1 3 331.420 -0.133 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000976870469 803924447 /nfs/dbraw/zinc/92/44/47/803924447.db2.gz YLGMVUHSDLHHMI-HVOFVXBASA-N 1 3 331.420 -0.133 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)CN1CCCC1 ZINC000989800078 808598270 /nfs/dbraw/zinc/59/82/70/808598270.db2.gz PQFAMHAQOWGLKN-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000990244636 808711169 /nfs/dbraw/zinc/71/11/69/808711169.db2.gz OPEBXVMTSQZPOB-CQSZACIVSA-N 1 3 336.436 -0.190 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214597871 810264617 /nfs/dbraw/zinc/26/46/17/810264617.db2.gz QBEKCLSQKINCJN-UPJWGTAASA-N 1 3 339.440 -0.509 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214597871 810264624 /nfs/dbraw/zinc/26/46/24/810264624.db2.gz QBEKCLSQKINCJN-UPJWGTAASA-N 1 3 339.440 -0.509 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001215571506 810336143 /nfs/dbraw/zinc/33/61/43/810336143.db2.gz OYWATEOHHRPTGT-MCIONIFRSA-N 1 3 348.513 -0.298 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001215680899 810339453 /nfs/dbraw/zinc/33/94/53/810339453.db2.gz NPELDAVWGSUZCK-DGCLKSJQSA-N 1 3 348.407 -0.669 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001215993685 810353774 /nfs/dbraw/zinc/35/37/74/810353774.db2.gz BLRUAEXLKLQUCJ-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851628 810395926 /nfs/dbraw/zinc/39/59/26/810395926.db2.gz CTJCSSHBNYGTBC-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c1 ZINC001218113082 810477728 /nfs/dbraw/zinc/47/77/28/810477728.db2.gz YFNASKOCWYDOCE-WOSRLPQWSA-N 1 3 334.420 -0.615 20 0 EBADHO N[C@H](C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218669268 810518409 /nfs/dbraw/zinc/51/84/09/810518409.db2.gz OLLQPMWRMSOWAG-HNNXBMFYSA-N 1 3 336.440 -0.519 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710727 810522543 /nfs/dbraw/zinc/52/25/43/810522543.db2.gz HFMTXUHVAXEUFA-SECBINFHSA-N 1 3 331.398 -0.742 20 0 EBADHO Nc1cnc(N(CC(F)(F)F)C(=O)[C@@H]2C[NH2+]CC23CNC3)nc1 ZINC001218740957 810524984 /nfs/dbraw/zinc/52/49/84/810524984.db2.gz QRTLAEUKWSHEHJ-VIFPVBQESA-N 1 3 330.314 -0.237 20 0 EBADHO Nc1ncn(C(=O)C2(N)CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779450 810531159 /nfs/dbraw/zinc/53/11/59/810531159.db2.gz NJABMYOBJMOBRJ-DTWKUNHWSA-N 1 3 340.815 -0.879 20 0 EBADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219774954 810835851 /nfs/dbraw/zinc/83/58/51/810835851.db2.gz GCVLALJUDRUDIX-GFCCVEGCSA-N 1 3 327.450 -0.589 20 0 EBADHO CN1C[C@@H](C(=O)NCc2noc3c2CNCC3)OC2(CC[NH2+]CC2)C1 ZINC001219808957 810853739 /nfs/dbraw/zinc/85/37/39/810853739.db2.gz AMKMWROSKZAQCU-HNNXBMFYSA-N 1 3 349.435 -0.611 20 0 EBADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219816153 810860431 /nfs/dbraw/zinc/86/04/31/810860431.db2.gz BPAIIBDAZVERCV-KFWWJZLASA-N 1 3 349.456 -0.018 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852122 810878809 /nfs/dbraw/zinc/87/88/09/810878809.db2.gz MNJRTYUZXBEVIG-BAYHKCFCSA-N 1 3 326.441 -0.783 20 0 EBADHO CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219882281 810893636 /nfs/dbraw/zinc/89/36/36/810893636.db2.gz AQECZPVEBDSNCV-XQLPTFJDSA-N 1 3 342.484 -0.043 20 0 EBADHO CC1(C)OCc2cc(C[C@H](N)C(=O)NCC[NH2+]CCO)ccc2O1 ZINC001219918410 810906629 /nfs/dbraw/zinc/90/66/29/810906629.db2.gz KYDBPYMVFPGZEH-AWEZNQCLSA-N 1 3 337.420 -0.100 20 0 EBADHO Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[nH]n1 ZINC001219943311 810918647 /nfs/dbraw/zinc/91/86/47/810918647.db2.gz CJRAMRFEAJAQLX-KBPBESRZSA-N 1 3 336.440 -0.218 20 0 EBADHO COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(OC)cc1 ZINC001219975372 810933661 /nfs/dbraw/zinc/93/36/61/810933661.db2.gz RFUVDQKBZFIJIT-ZIAGYGMSSA-N 1 3 333.388 -0.166 20 0 EBADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C1CCOCC1 ZINC001220025573 810953328 /nfs/dbraw/zinc/95/33/28/810953328.db2.gz RVPSEGFVAVAKNW-KGLIPLIRSA-N 1 3 339.436 -0.055 20 0 EBADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C1CCOCC1 ZINC001220025573 810953334 /nfs/dbraw/zinc/95/33/34/810953334.db2.gz RVPSEGFVAVAKNW-KGLIPLIRSA-N 1 3 339.436 -0.055 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025027 810953502 /nfs/dbraw/zinc/95/35/02/810953502.db2.gz HGAWLLIVQDNDAD-RVBZMBCESA-N 1 3 339.465 -0.025 20 0 EBADHO COc1ncnc(OC)c1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220045201 810958944 /nfs/dbraw/zinc/95/89/44/810958944.db2.gz PUOVNEGSEYCDRV-GFCCVEGCSA-N 1 3 335.408 -0.016 20 0 EBADHO COc1ncnc(OC)c1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220045201 810958948 /nfs/dbraw/zinc/95/89/48/810958948.db2.gz PUOVNEGSEYCDRV-GFCCVEGCSA-N 1 3 335.408 -0.016 20 0 EBADHO COc1cc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)ccc1OC1COC1 ZINC001220191374 811010981 /nfs/dbraw/zinc/01/09/81/811010981.db2.gz FWIVFXAHUUIMDN-AWEZNQCLSA-N 1 3 347.415 -0.102 20 0 EBADHO COC(=O)[C@]1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CCN(Cc2ccccc2)C1 ZINC001220228288 811026942 /nfs/dbraw/zinc/02/69/42/811026942.db2.gz HJEHTCKVPWNEKI-VKJFTORMSA-N 1 3 346.431 -0.391 20 0 EBADHO COC(=O)[C@]1(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CCN(Cc2ccccc2)C1 ZINC001220228288 811026946 /nfs/dbraw/zinc/02/69/46/811026946.db2.gz HJEHTCKVPWNEKI-VKJFTORMSA-N 1 3 346.431 -0.391 20 0 EBADHO O=C(NCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(F)cc1 ZINC001220286858 811047215 /nfs/dbraw/zinc/04/72/15/811047215.db2.gz RSVIRFGEWRJDDV-CXAGYDPISA-N 1 3 334.395 -0.129 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311954 811052265 /nfs/dbraw/zinc/05/22/65/811052265.db2.gz UVIIYPVJFDXFJR-AAEUAGOBSA-N 1 3 334.424 -0.669 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315873 811053365 /nfs/dbraw/zinc/05/33/65/811053365.db2.gz JVERRMJHCLBSTM-HEHGZKQESA-N 1 3 326.441 -0.497 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320407 811055045 /nfs/dbraw/zinc/05/50/45/811055045.db2.gz NHFJVEOUUNSNJN-DUPGQFARSA-N 1 3 326.441 -0.497 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1COC2(CNC2)CN1 ZINC001220429046 811104467 /nfs/dbraw/zinc/10/44/67/811104467.db2.gz KDROOBNZIDHTOS-VVLHAWIVSA-N 1 3 342.443 -0.437 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1COC2(CNC2)CN1 ZINC001220429046 811104472 /nfs/dbraw/zinc/10/44/72/811104472.db2.gz KDROOBNZIDHTOS-VVLHAWIVSA-N 1 3 342.443 -0.437 20 0 EBADHO COCCOc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001220458355 811116162 /nfs/dbraw/zinc/11/61/62/811116162.db2.gz OVJKHPCCAJNLNC-RHSMWYFYSA-N 1 3 334.420 -0.078 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036192641 811117421 /nfs/dbraw/zinc/11/74/21/811117421.db2.gz IMGGYQJOEITLPX-JSGCOSHPSA-N 1 3 347.419 -0.072 20 0 EBADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220679437 811199048 /nfs/dbraw/zinc/19/90/48/811199048.db2.gz ZVAOOHNPUQILGF-LOWDOPEQSA-N 1 3 327.450 -0.448 20 0 EBADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1COC2(CNC2)CN1 ZINC001220791401 811243296 /nfs/dbraw/zinc/24/32/96/811243296.db2.gz XRDOJZCVLUEQTP-RRFJBIMHSA-N 1 3 331.420 -0.821 20 0 EBADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1COC2(CNC2)CN1 ZINC001220791402 811243975 /nfs/dbraw/zinc/24/39/75/811243975.db2.gz XRDOJZCVLUEQTP-SOUVJXGZSA-N 1 3 331.420 -0.821 20 0 EBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001220857913 811269673 /nfs/dbraw/zinc/26/96/73/811269673.db2.gz XVIAZTKPSFNEEB-AAEUAGOBSA-N 1 3 336.440 -0.197 20 0 EBADHO COC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](O)c1ccccc1 ZINC001220866367 811273418 /nfs/dbraw/zinc/27/34/18/811273418.db2.gz WSAFGDJISJRZTN-IHRRRGAJSA-N 1 3 327.450 -0.130 20 0 EBADHO N[C@@H](CC[NH3+])C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220900236 811286495 /nfs/dbraw/zinc/28/64/95/811286495.db2.gz FARJCZLIDOQRJJ-AWEZNQCLSA-N 1 3 325.457 -0.744 20 0 EBADHO CN[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[C@@H](C)OC(C)(C)C ZINC001220900694 811288218 /nfs/dbraw/zinc/28/82/18/811288218.db2.gz OGLIKYVXCKEHRN-MNOVXSKESA-N 1 3 334.421 -0.558 20 0 EBADHO O=C(CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O)N1CCN(C2CCCCC2)CC1 ZINC001220901405 811288826 /nfs/dbraw/zinc/28/88/26/811288826.db2.gz YNCJBVCESFLCEY-CABCVRRESA-N 1 3 338.452 -0.840 20 0 EBADHO N[C@@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936347 811301861 /nfs/dbraw/zinc/30/18/61/811301861.db2.gz FHFCESFTOZZARZ-ZIAGYGMSSA-N 1 3 327.425 -0.258 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220970832 811318118 /nfs/dbraw/zinc/31/81/18/811318118.db2.gz JCJYDKBZWXGXED-LSDHHAIUSA-N 1 3 346.431 -0.797 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220987228 811326581 /nfs/dbraw/zinc/32/65/81/811326581.db2.gz KFCGJEFAADRDQU-XHSDSOJGSA-N 1 3 343.468 -0.459 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220987228 811326592 /nfs/dbraw/zinc/32/65/92/811326592.db2.gz KFCGJEFAADRDQU-XHSDSOJGSA-N 1 3 343.468 -0.459 20 0 EBADHO C[S@](=O)CC[C@H](N)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114037 811384029 /nfs/dbraw/zinc/38/40/29/811384029.db2.gz KTAKTIUWCFBXQO-NPMABZOXSA-N 1 3 338.477 -0.085 20 0 EBADHO COCCOc1nccc(CNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001221158114 811396629 /nfs/dbraw/zinc/39/66/29/811396629.db2.gz UBGGMNZUFAVNFA-NSHDSACASA-N 1 3 329.426 -0.863 20 0 EBADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001221366392 811447948 /nfs/dbraw/zinc/44/79/48/811447948.db2.gz OJQFZYLWJUPNTA-GJZGRUSLSA-N 1 3 335.404 -0.050 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391781 811448837 /nfs/dbraw/zinc/44/88/37/811448837.db2.gz GLKHOYIANUKSJX-LRDDRELGSA-N 1 3 347.463 -0.107 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001227454799 811923562 /nfs/dbraw/zinc/92/35/62/811923562.db2.gz VCTMYDOMBUNGJU-HOTGVXAUSA-N 1 3 341.452 -0.561 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001227454799 811923564 /nfs/dbraw/zinc/92/35/64/811923564.db2.gz VCTMYDOMBUNGJU-HOTGVXAUSA-N 1 3 341.452 -0.561 20 0 EBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229801843 812057238 /nfs/dbraw/zinc/05/72/38/812057238.db2.gz VLVFWTMAELXOJD-CHWSQXEVSA-N 1 3 341.456 -0.070 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001229860327 812059272 /nfs/dbraw/zinc/05/92/72/812059272.db2.gz RJNSJLWFXYTRGC-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CC[C@@H](N4CCC([NH3+])CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001236622407 812518612 /nfs/dbraw/zinc/51/86/12/812518612.db2.gz NMDABIGZKMALOG-LEOABGAYSA-N 1 3 341.452 -0.279 20 0 EBADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCOC[C@@]2(CNCCO2)C1 ZINC001238999514 812538943 /nfs/dbraw/zinc/53/89/43/812538943.db2.gz JOGDCBAGCFNCAU-CQSZACIVSA-N 1 3 333.454 -0.993 20 0 EBADHO COC(=O)[C@@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246027686 812559937 /nfs/dbraw/zinc/55/99/37/812559937.db2.gz YFNAUAZEYYZZOX-SOUVJXGZSA-N 1 3 343.374 -0.358 20 0 EBADHO CC(=O)N1CCOC[C@]2(CN([C@@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723495 812583559 /nfs/dbraw/zinc/58/35/59/812583559.db2.gz JKBMXOHPJBCQKL-NVXWUHKLSA-N 1 3 338.452 -0.970 20 0 EBADHO CC(=O)NCc1nnn2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739225 812584549 /nfs/dbraw/zinc/58/45/49/812584549.db2.gz QDJSIRVOPGMECD-ZDUSSCGKSA-N 1 3 333.440 -0.786 20 0 EBADHO CC[C@]1(C(=O)OC)C[C@@H]([NH+]2CCC([C@H](N)C(=O)OC)CC2)CN1 ZINC001246866206 812591393 /nfs/dbraw/zinc/59/13/93/812591393.db2.gz AMHHMJKBXSQMJK-DVOMOZLQSA-N 1 3 327.425 -0.118 20 0 EBADHO O[C@H](C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1)CN1CCOCC1 ZINC001251041833 812619667 /nfs/dbraw/zinc/61/96/67/812619667.db2.gz OSHGRDBYTZOIQJ-BRWVUGGUSA-N 1 3 327.469 -0.088 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001256780113 812739135 /nfs/dbraw/zinc/73/91/35/812739135.db2.gz RHWLOAQWVZQYKS-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081505312 813091932 /nfs/dbraw/zinc/09/19/32/813091932.db2.gz DOIJZEYECWUQKC-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081505311 813093167 /nfs/dbraw/zinc/09/31/67/813093167.db2.gz DOIJZEYECWUQKC-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001263863950 813130203 /nfs/dbraw/zinc/13/02/03/813130203.db2.gz JVAYDZZAWDETOO-AVGNSLFASA-N 1 3 336.436 -0.240 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265460043 813328228 /nfs/dbraw/zinc/32/82/28/813328228.db2.gz WUROFGDILTUHNB-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001265566585 813341042 /nfs/dbraw/zinc/34/10/42/813341042.db2.gz KBBQTLDPFDOVNC-SCRDCRAPSA-N 1 3 339.440 -0.639 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081636132 813344323 /nfs/dbraw/zinc/34/43/23/813344323.db2.gz ZLKQJXDYMXARGC-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266262311 813497259 /nfs/dbraw/zinc/49/72/59/813497259.db2.gz HLMDNHCAVTZHTM-MRXNPFEDSA-N 1 3 326.485 -0.025 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(CCO)CC1 ZINC001266262311 813497263 /nfs/dbraw/zinc/49/72/63/813497263.db2.gz HLMDNHCAVTZHTM-MRXNPFEDSA-N 1 3 326.485 -0.025 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001081774822 813542711 /nfs/dbraw/zinc/54/27/11/813542711.db2.gz UIUWUQNDZAJSQG-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001081774822 813542717 /nfs/dbraw/zinc/54/27/17/813542717.db2.gz UIUWUQNDZAJSQG-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266988035 813720702 /nfs/dbraw/zinc/72/07/02/813720702.db2.gz CMRSRZXGFFPYHS-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266988035 813720706 /nfs/dbraw/zinc/72/07/06/813720706.db2.gz CMRSRZXGFFPYHS-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO CN(CC(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001267044170 813744844 /nfs/dbraw/zinc/74/48/44/813744844.db2.gz GYPYAANMTYSWIJ-CYBMUJFWSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267389828 813872896 /nfs/dbraw/zinc/87/28/96/813872896.db2.gz GJLNCOJVIIFFNH-ZDUSSCGKSA-N 1 3 336.436 -0.284 20 0 EBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267389827 813873539 /nfs/dbraw/zinc/87/35/39/813873539.db2.gz GJLNCOJVIIFFNH-CYBMUJFWSA-N 1 3 336.436 -0.284 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082740866 814003114 /nfs/dbraw/zinc/00/31/14/814003114.db2.gz INWIVUSCUYYAIX-QLFBSQMISA-N 1 3 337.468 -0.068 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082766722 814006497 /nfs/dbraw/zinc/00/64/97/814006497.db2.gz VBULCFHXXGCDCS-YRGRVCCFSA-N 1 3 340.449 -0.177 20 0 EBADHO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn1cncn1)N1CCCCCC1 ZINC001268323832 814202160 /nfs/dbraw/zinc/20/21/60/814202160.db2.gz KOOPTEUTZFBYLP-LSDHHAIUSA-N 1 3 338.456 -0.391 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626107 814325517 /nfs/dbraw/zinc/32/55/17/814325517.db2.gz MSWRSAWUWFERAD-IBUXWKBASA-N 1 3 344.419 -0.264 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626107 814325527 /nfs/dbraw/zinc/32/55/27/814325527.db2.gz MSWRSAWUWFERAD-IBUXWKBASA-N 1 3 344.419 -0.264 20 0 EBADHO CCCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268674272 814347610 /nfs/dbraw/zinc/34/76/10/814347610.db2.gz OCXXWQATRXUOTQ-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CCCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268674272 814347614 /nfs/dbraw/zinc/34/76/14/814347614.db2.gz OCXXWQATRXUOTQ-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001269249330 814595917 /nfs/dbraw/zinc/59/59/17/814595917.db2.gz WDRXIJWPCLXGHV-DAXOMENPSA-N 1 3 344.406 -0.399 20 0 EBADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(F)C1=O ZINC001269249330 814595922 /nfs/dbraw/zinc/59/59/22/814595922.db2.gz WDRXIJWPCLXGHV-DAXOMENPSA-N 1 3 344.406 -0.399 20 0 EBADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001269471243 814705833 /nfs/dbraw/zinc/70/58/33/814705833.db2.gz HQYYROLNOVALPV-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001269909063 815635158 /nfs/dbraw/zinc/63/51/58/815635158.db2.gz YZTVPJPTDAYNSN-ZDUSSCGKSA-N 1 3 341.456 -0.260 20 0 EBADHO Cc1nc(CNCCN(CCO)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001272271256 816379228 /nfs/dbraw/zinc/37/92/28/816379228.db2.gz IGCXQZGOZXHWGV-UHFFFAOYSA-N 1 3 338.456 -0.244 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414698 816426013 /nfs/dbraw/zinc/42/60/13/816426013.db2.gz ROTBMLOWDGFUBI-HOTGVXAUSA-N 1 3 337.468 -0.098 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001086983242 816434983 /nfs/dbraw/zinc/43/49/83/816434983.db2.gz CYOOLIYYJNUOLD-XHSDSOJGSA-N 1 3 337.468 -0.117 20 0 EBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087088253 816460667 /nfs/dbraw/zinc/46/06/67/816460667.db2.gz PVLCVGITKKSGOA-VHDGCEQUSA-N 1 3 349.435 -0.364 20 0 EBADHO C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001272829227 816531515 /nfs/dbraw/zinc/53/15/15/816531515.db2.gz HISVZTTZLJIRJE-CYBMUJFWSA-N 1 3 325.457 -0.020 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910743 816806258 /nfs/dbraw/zinc/80/62/58/816806258.db2.gz KNTLFIRGGINJRK-NVXWUHKLSA-N 1 3 343.468 -0.720 20 0 EBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471529 816975015 /nfs/dbraw/zinc/97/50/15/816975015.db2.gz IAQNBOPCPLKLMN-IHVVCDCBSA-N 1 3 326.441 -0.506 20 0 EBADHO CCOC[C@@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564421 817008327 /nfs/dbraw/zinc/00/83/27/817008327.db2.gz FITSYXLRZVRKTI-HOCLYGCPSA-N 1 3 329.441 -0.751 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C\CNCc1cnnn1C ZINC001274578454 817020822 /nfs/dbraw/zinc/02/08/22/817020822.db2.gz IEPNGTLCTMBIFQ-NQHOJNORSA-N 1 3 336.440 -0.455 20 0 EBADHO CC(C)OC[C@@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628562 817045670 /nfs/dbraw/zinc/04/56/70/817045670.db2.gz UWZWFXVKUSUNRB-DOTOQJQBSA-N 1 3 343.468 -0.363 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)n1 ZINC001090270901 817211993 /nfs/dbraw/zinc/21/19/93/817211993.db2.gz CVSSEUNSTPGEKC-HIFRSBDPSA-N 1 3 341.431 -0.031 20 0 EBADHO CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCCN1C ZINC001276173991 817368366 /nfs/dbraw/zinc/36/83/66/817368366.db2.gz MELDVZYZAYACMF-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001278300098 817738820 /nfs/dbraw/zinc/73/88/20/817738820.db2.gz FMSRHNMROQAXJN-IUODEOHRSA-N 1 3 337.424 -0.316 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001278324251 817741174 /nfs/dbraw/zinc/74/11/74/817741174.db2.gz FCKNXORHGPTTNN-CHWSQXEVSA-N 1 3 339.440 -0.543 20 0 EBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001279837974 817992588 /nfs/dbraw/zinc/99/25/88/817992588.db2.gz GJJZNQOFUAVAFV-ZDUSSCGKSA-N 1 3 333.396 -0.858 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[C@H]1C[C@@H]([NH2+]CCN1CCNC1=O)C2 ZINC001095007875 818547212 /nfs/dbraw/zinc/54/72/12/818547212.db2.gz WITQPNMLDMSVRA-YDHLFZDLSA-N 1 3 346.435 -0.054 20 0 EBADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001095784081 818689973 /nfs/dbraw/zinc/68/99/73/818689973.db2.gz AQJIEGKMYCIYDY-TUBVSAOGSA-N 1 3 335.448 -0.047 20 0 EBADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001095784081 818689974 /nfs/dbraw/zinc/68/99/74/818689974.db2.gz AQJIEGKMYCIYDY-TUBVSAOGSA-N 1 3 335.448 -0.047 20 0 EBADHO COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561984 819246378 /nfs/dbraw/zinc/24/63/78/819246378.db2.gz QWQDHWYTFOAGSB-INIZCTEOSA-N 1 3 343.468 -0.625 20 0 EBADHO COC[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561984 819246383 /nfs/dbraw/zinc/24/63/83/819246383.db2.gz QWQDHWYTFOAGSB-INIZCTEOSA-N 1 3 343.468 -0.625 20 0 EBADHO CN(CCOCCN[C@@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284876310 819386171 /nfs/dbraw/zinc/38/61/71/819386171.db2.gz SSWVZOFVYMWKFX-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100378307 820386077 /nfs/dbraw/zinc/38/60/77/820386077.db2.gz VNDKCTNYUCCFHL-MCIGGMRASA-N 1 3 345.419 -0.654 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100676229 820507681 /nfs/dbraw/zinc/50/76/81/820507681.db2.gz LETQOUXVYAXBIQ-NFOMZHRRSA-N 1 3 337.468 -0.020 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@@H](O)COCCOC)C1 ZINC001100770483 820547105 /nfs/dbraw/zinc/54/71/05/820547105.db2.gz DSQSSKCLWOILLD-UYSNPLJNSA-N 1 3 345.484 -0.164 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001100905102 820595393 /nfs/dbraw/zinc/59/53/93/820595393.db2.gz WOUSNUYRJKAGSN-HIFPTAJRSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H](O)CN1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001316959473 821940902 /nfs/dbraw/zinc/94/09/02/821940902.db2.gz KDUQIWLKRRQAFE-HNNXBMFYSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001317063051 821990550 /nfs/dbraw/zinc/99/05/50/821990550.db2.gz YDOVLZIKUHBKNV-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001317212952 822038365 /nfs/dbraw/zinc/03/83/65/822038365.db2.gz HHYXWEKKTCDGLK-FMKNKJFCSA-N 1 3 336.436 -0.576 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001317212952 822038376 /nfs/dbraw/zinc/03/83/76/822038376.db2.gz HHYXWEKKTCDGLK-FMKNKJFCSA-N 1 3 336.436 -0.576 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317240317 822043429 /nfs/dbraw/zinc/04/34/29/822043429.db2.gz FUDGBOVPSBPYFC-YNEHKIRRSA-N 1 3 334.486 -0.640 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317240317 822043437 /nfs/dbraw/zinc/04/34/37/822043437.db2.gz FUDGBOVPSBPYFC-YNEHKIRRSA-N 1 3 334.486 -0.640 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001128778755 828525775 /nfs/dbraw/zinc/52/57/75/828525775.db2.gz LNWHZQRERWHZKI-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001128778755 828525778 /nfs/dbraw/zinc/52/57/78/828525778.db2.gz LNWHZQRERWHZKI-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001107040504 823720552 /nfs/dbraw/zinc/72/05/52/823720552.db2.gz HOXQVIBGEISLLU-MCIONIFRSA-N 1 3 338.452 -0.184 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129364326 828605578 /nfs/dbraw/zinc/60/55/78/828605578.db2.gz SKHINNLIFWOBJE-KBPBESRZSA-N 1 3 340.468 -0.140 20 0 EBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364161 828606158 /nfs/dbraw/zinc/60/61/58/828606158.db2.gz QFWNCIPSMQKAMT-GJZGRUSLSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364161 828606161 /nfs/dbraw/zinc/60/61/61/828606161.db2.gz QFWNCIPSMQKAMT-GJZGRUSLSA-N 1 3 338.452 -0.386 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC1CCOCC1)C1CC1 ZINC001129435558 828619247 /nfs/dbraw/zinc/61/92/47/828619247.db2.gz HKNFCKABFMVXNK-HNNXBMFYSA-N 1 3 326.441 -0.672 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129531686 828630977 /nfs/dbraw/zinc/63/09/77/828630977.db2.gz FUUSIOMZZNXIDR-UHFFFAOYSA-N 1 3 334.486 -0.494 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001129840757 828680494 /nfs/dbraw/zinc/68/04/94/828680494.db2.gz IYXRLQFXLKJTEX-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001129840757 828680499 /nfs/dbraw/zinc/68/04/99/828680499.db2.gz IYXRLQFXLKJTEX-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129846489 828680570 /nfs/dbraw/zinc/68/05/70/828680570.db2.gz QRFVIQCDUBAPJD-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129846489 828680572 /nfs/dbraw/zinc/68/05/72/828680572.db2.gz QRFVIQCDUBAPJD-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO COCCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925196 828695285 /nfs/dbraw/zinc/69/52/85/828695285.db2.gz SRONOWGSGXCNTC-CABCVRRESA-N 1 3 348.451 -0.106 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950449 828699639 /nfs/dbraw/zinc/69/96/39/828699639.db2.gz USCNROWSEYXPJM-AWEZNQCLSA-N 1 3 343.472 -0.096 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)S(C)(=O)=O ZINC001130187462 828750616 /nfs/dbraw/zinc/75/06/16/828750616.db2.gz VRCQDTSPJKSJLN-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)S(C)(=O)=O ZINC001130187462 828750618 /nfs/dbraw/zinc/75/06/18/828750618.db2.gz VRCQDTSPJKSJLN-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)N(C)C ZINC001130201253 828753687 /nfs/dbraw/zinc/75/36/87/828753687.db2.gz ZMILSGZVAWXZAP-NWDGAFQWSA-N 1 3 329.445 -0.345 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001130422141 828830466 /nfs/dbraw/zinc/83/04/66/828830466.db2.gz XYGIWMXLZYBGOU-NSHDSACASA-N 1 3 341.456 -0.201 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001130422141 828830479 /nfs/dbraw/zinc/83/04/79/828830479.db2.gz XYGIWMXLZYBGOU-NSHDSACASA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179799770 833011582 /nfs/dbraw/zinc/01/15/82/833011582.db2.gz UDSBFBWHZQANIL-YDHLFZDLSA-N 1 3 340.468 -0.189 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179852513 833017355 /nfs/dbraw/zinc/01/73/55/833017355.db2.gz SPHYXJLWHQMBMU-AGIUHOORSA-N 1 3 341.456 -0.249 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179852513 833017364 /nfs/dbraw/zinc/01/73/64/833017364.db2.gz SPHYXJLWHQMBMU-AGIUHOORSA-N 1 3 341.456 -0.249 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114353385 826211735 /nfs/dbraw/zinc/21/17/35/826211735.db2.gz RKLMSJGSANXZJI-LJISPDSOSA-N 1 3 331.432 -0.278 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114353385 826211738 /nfs/dbraw/zinc/21/17/38/826211738.db2.gz RKLMSJGSANXZJI-LJISPDSOSA-N 1 3 331.432 -0.278 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983392 833031974 /nfs/dbraw/zinc/03/19/74/833031974.db2.gz ZQJNNPAVEUGCIL-AGIUHOORSA-N 1 3 341.456 -0.119 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983392 833031980 /nfs/dbraw/zinc/03/19/80/833031980.db2.gz ZQJNNPAVEUGCIL-AGIUHOORSA-N 1 3 341.456 -0.119 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180123793 833045133 /nfs/dbraw/zinc/04/51/33/833045133.db2.gz BQZKSFHHKXWAML-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180123793 833045138 /nfs/dbraw/zinc/04/51/38/833045138.db2.gz BQZKSFHHKXWAML-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115143675 826433063 /nfs/dbraw/zinc/43/30/63/826433063.db2.gz JFTWYWSSGHJECL-FOLVSLTJSA-N 1 3 337.468 -0.210 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115300267 826502317 /nfs/dbraw/zinc/50/23/17/826502317.db2.gz OMOOULZYTLMSEB-LJIGWXMPSA-N 1 3 335.452 -0.369 20 0 EBADHO 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CCCNC(=O)[C@H](C)NCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563524 828303722 /nfs/dbraw/zinc/30/37/22/828303722.db2.gz ZRQRDGLGDGXQDT-ZDUSSCGKSA-N 1 3 338.456 -0.321 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127643555 828309084 /nfs/dbraw/zinc/30/90/84/828309084.db2.gz AKGMHJADVBDTQV-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127643555 828309092 /nfs/dbraw/zinc/30/90/92/828309092.db2.gz AKGMHJADVBDTQV-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001127659415 828311773 /nfs/dbraw/zinc/31/17/73/828311773.db2.gz AFQAJDZTTUTVRW-NQBHXWOUSA-N 1 3 339.440 -0.591 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001127659415 828311780 /nfs/dbraw/zinc/31/17/80/828311780.db2.gz AFQAJDZTTUTVRW-NQBHXWOUSA-N 1 3 339.440 -0.591 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127690517 828314233 /nfs/dbraw/zinc/31/42/33/828314233.db2.gz LQDOOMRAGVABAJ-RWMBFGLXSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127690517 828314241 /nfs/dbraw/zinc/31/42/41/828314241.db2.gz LQDOOMRAGVABAJ-RWMBFGLXSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695215 828314598 /nfs/dbraw/zinc/31/45/98/828314598.db2.gz FJGSTYHKHSKLDH-NWDGAFQWSA-N 1 3 327.429 -0.732 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695215 828314608 /nfs/dbraw/zinc/31/46/08/828314608.db2.gz FJGSTYHKHSKLDH-NWDGAFQWSA-N 1 3 327.429 -0.732 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127779715 828328879 /nfs/dbraw/zinc/32/88/79/828328879.db2.gz QWZNVESTXBCSAI-JKSUJKDBSA-N 1 3 346.431 -0.146 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779715 828328883 /nfs/dbraw/zinc/32/88/83/828328883.db2.gz QWZNVESTXBCSAI-JKSUJKDBSA-N 1 3 346.431 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833358711 /nfs/dbraw/zinc/35/87/11/833358711.db2.gz XCFUZCHBGIZAAS-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185550565 833361009 /nfs/dbraw/zinc/36/10/09/833361009.db2.gz UUGZGRJNNZSDOW-STQMWFEESA-N 1 3 341.456 -0.403 20 0 EBADHO Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)cc1=O ZINC001131519613 829150753 /nfs/dbraw/zinc/15/07/53/829150753.db2.gz HOPYIRGWYPVNLY-CSLYMUCUSA-N 1 3 346.431 -0.546 20 0 EBADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131519635 829151107 /nfs/dbraw/zinc/15/11/07/829151107.db2.gz IDZYPMOCSIEYLH-KDJCLPLCSA-N 1 3 336.436 -0.824 20 0 EBADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131519635 829151109 /nfs/dbraw/zinc/15/11/09/829151109.db2.gz IDZYPMOCSIEYLH-KDJCLPLCSA-N 1 3 336.436 -0.824 20 0 EBADHO COCCOCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519904 829152008 /nfs/dbraw/zinc/15/20/08/829152008.db2.gz NHKRWGNDAKAICX-NPCAHTBFSA-N 1 3 327.425 -0.782 20 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/nfs/dbraw/zinc/22/77/39/829227739.db2.gz RWYFGSDVOMJWJF-UHFFFAOYSA-N 1 3 327.429 -0.458 20 0 EBADHO C[N@@H+](CCC(=O)NCCNCC(=O)NC(N)=O)C1CCCCC1 ZINC001131815754 829227744 /nfs/dbraw/zinc/22/77/44/829227744.db2.gz RWYFGSDVOMJWJF-UHFFFAOYSA-N 1 3 327.429 -0.458 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131844225 829243224 /nfs/dbraw/zinc/24/32/24/829243224.db2.gz DGFFDJJZHBTPQW-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234075 833393128 /nfs/dbraw/zinc/39/31/28/833393128.db2.gz GTZGWYHAUGUGDG-GXTWGEPZSA-N 1 3 336.440 -0.617 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186458171 833402210 /nfs/dbraw/zinc/40/22/10/833402210.db2.gz GTULQCFKAMFEAJ-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284033 829406036 /nfs/dbraw/zinc/40/60/36/829406036.db2.gz SXSPIKXFBUIRFO-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001132739241 829513140 /nfs/dbraw/zinc/51/31/40/829513140.db2.gz NZFMAMUVWNVJGP-CYBMUJFWSA-N 1 3 334.486 -0.637 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001132739241 829513148 /nfs/dbraw/zinc/51/31/48/829513148.db2.gz NZFMAMUVWNVJGP-CYBMUJFWSA-N 1 3 334.486 -0.637 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132883735 829545105 /nfs/dbraw/zinc/54/51/05/829545105.db2.gz WYJKHGWDQNXRKE-AVGNSLFASA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132883735 829545109 /nfs/dbraw/zinc/54/51/09/829545109.db2.gz WYJKHGWDQNXRKE-AVGNSLFASA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CCC[NH+](C)C)C[C@@H](C)O1 ZINC001133051652 829577512 /nfs/dbraw/zinc/57/75/12/829577512.db2.gz JWAIMYQBBBNAEG-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC1 ZINC001133286979 829615925 /nfs/dbraw/zinc/61/59/25/829615925.db2.gz AQFUJOVYNAGMQM-AWEZNQCLSA-N 1 3 326.441 -0.671 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)NCC(F)(F)F ZINC001133290975 829616179 /nfs/dbraw/zinc/61/61/79/829616179.db2.gz GRGSUFAWJHWYEP-UHFFFAOYSA-N 1 3 341.334 -0.968 20 0 EBADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(=O)NC1CC1 ZINC001133286116 829616309 /nfs/dbraw/zinc/61/63/09/829616309.db2.gz XXTRYOOLBMYOLW-NSHDSACASA-N 1 3 339.440 -0.589 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001186834611 833432683 /nfs/dbraw/zinc/43/26/83/833432683.db2.gz SGYIFGVPFFJJGN-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001186834611 833432686 /nfs/dbraw/zinc/43/26/86/833432686.db2.gz SGYIFGVPFFJJGN-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133823916 829681282 /nfs/dbraw/zinc/68/12/82/829681282.db2.gz SEUHABIQBNJJSP-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845534 829685711 /nfs/dbraw/zinc/68/57/11/829685711.db2.gz IETZTHKKCHBEGV-KBPBESRZSA-N 1 3 346.497 -0.685 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001133850363 829686608 /nfs/dbraw/zinc/68/66/08/829686608.db2.gz LMAWWNOWQLSJNY-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cc1 ZINC001133893558 829694941 /nfs/dbraw/zinc/69/49/41/829694941.db2.gz KNHPBOIOJKHNGS-OAHLLOKOSA-N 1 3 346.431 -0.085 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133896268 829695518 /nfs/dbraw/zinc/69/55/18/829695518.db2.gz GCRMVLCELLLGDR-LBPRGKRZSA-N 1 3 343.472 -0.096 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)CC(C)(C)C ZINC001133918146 829700332 /nfs/dbraw/zinc/70/03/32/829700332.db2.gz RJEOMNHMUISFMZ-AWEZNQCLSA-N 1 3 325.457 -0.072 20 0 EBADHO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968366 829707966 /nfs/dbraw/zinc/70/79/66/829707966.db2.gz WKRZIZDHZNEONI-KBPBESRZSA-N 1 3 330.473 -0.036 20 0 EBADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001134613269 829804608 /nfs/dbraw/zinc/80/46/08/829804608.db2.gz UKERFGMNYLFBLM-QWRGUYRKSA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001134766816 829840947 /nfs/dbraw/zinc/84/09/47/829840947.db2.gz MVFZKVNXDPERHA-CQSZACIVSA-N 1 3 325.457 -0.020 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103225 829898151 /nfs/dbraw/zinc/89/81/51/829898151.db2.gz YBDUEGXDDHHFEU-CHWSQXEVSA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103225 829898157 /nfs/dbraw/zinc/89/81/57/829898157.db2.gz YBDUEGXDDHHFEU-CHWSQXEVSA-N 1 3 332.470 -0.742 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001135513666 829979749 /nfs/dbraw/zinc/97/97/49/829979749.db2.gz UEXBBDNOIBXMEK-ZDUSSCGKSA-N 1 3 343.472 -0.096 20 0 EBADHO NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240538 837412798 /nfs/dbraw/zinc/41/27/98/837412798.db2.gz MFXQDIWCRGCHGM-ZDUSSCGKSA-N 1 3 339.440 -0.362 20 0 EBADHO CCCC[C@@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135963483 830052840 /nfs/dbraw/zinc/05/28/40/830052840.db2.gz OZOYHIRFLFQPRM-CQSZACIVSA-N 1 3 328.457 -0.153 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979941 830056268 /nfs/dbraw/zinc/05/62/68/830056268.db2.gz KHXAFDRFKIFOSX-VXGBXAGGSA-N 1 3 329.445 -0.343 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268922 837420132 /nfs/dbraw/zinc/42/01/32/837420132.db2.gz LYGQRYXGNGQQIV-LBPRGKRZSA-N 1 3 327.429 -0.637 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146356637 830194672 /nfs/dbraw/zinc/19/46/72/830194672.db2.gz ZVHUWVMTXXBPLH-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146392373 830195537 /nfs/dbraw/zinc/19/55/37/830195537.db2.gz RTEFFDADKHMGFS-LBPRGKRZSA-N 1 3 341.456 -0.343 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383423 830195839 /nfs/dbraw/zinc/19/58/39/830195839.db2.gz GUGOTNGAOOPQMP-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146590954 830211840 /nfs/dbraw/zinc/21/18/40/830211840.db2.gz DXHFWXOTCYIFAY-VXGBXAGGSA-N 1 3 329.445 -0.345 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001146710288 830221486 /nfs/dbraw/zinc/22/14/86/830221486.db2.gz JTPGHPKJSGNJQD-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001146710288 830221488 /nfs/dbraw/zinc/22/14/88/830221488.db2.gz JTPGHPKJSGNJQD-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824382 830417018 /nfs/dbraw/zinc/41/70/18/830417018.db2.gz JDPMELNTYWMUEY-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147892591 830426998 /nfs/dbraw/zinc/42/69/98/830426998.db2.gz KGNIGOLKBJPJSP-ZDUSSCGKSA-N 1 3 330.473 -0.036 20 0 EBADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893002 830427303 /nfs/dbraw/zinc/42/73/03/830427303.db2.gz NJGTUSHVSWYFDH-UHFFFAOYSA-N 1 3 340.424 -0.478 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCC1CCCCC1 ZINC001147893845 830427520 /nfs/dbraw/zinc/42/75/20/830427520.db2.gz VCPGWEXKMSNLOC-UHFFFAOYSA-N 1 3 342.484 -0.033 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900879 830427879 /nfs/dbraw/zinc/42/78/79/830427879.db2.gz XSWVXBNQKIKFPE-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900879 830427882 /nfs/dbraw/zinc/42/78/82/830427882.db2.gz XSWVXBNQKIKFPE-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971301 830432639 /nfs/dbraw/zinc/43/26/39/830432639.db2.gz ZUOZPUPWSKETBR-LLVKDONJSA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)C[C@@H](C)O1 ZINC001147995063 830435758 /nfs/dbraw/zinc/43/57/58/830435758.db2.gz XMFUMCXIEBNLFZ-ZIAGYGMSSA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NCC(F)(F)F ZINC001147999843 830436764 /nfs/dbraw/zinc/43/67/64/830436764.db2.gz FXMGASRBXIBMOP-SNVBAGLBSA-N 1 3 336.358 -0.145 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001148656257 830524100 /nfs/dbraw/zinc/52/41/00/830524100.db2.gz YKLYNYSVFSZYKY-CYBMUJFWSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001149889471 830777344 /nfs/dbraw/zinc/77/73/44/830777344.db2.gz OHPCEENIWBOSNC-RBSFLKMASA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001149889471 830777350 /nfs/dbraw/zinc/77/73/50/830777350.db2.gz OHPCEENIWBOSNC-RBSFLKMASA-N 1 3 331.457 -0.459 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001151066445 831019602 /nfs/dbraw/zinc/01/96/02/831019602.db2.gz UYYRKGPOSFZZDI-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001151066445 831019609 /nfs/dbraw/zinc/01/96/09/831019609.db2.gz UYYRKGPOSFZZDI-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072922 831019716 /nfs/dbraw/zinc/01/97/16/831019716.db2.gz AKOWDJDKFHQVAN-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072922 831019722 /nfs/dbraw/zinc/01/97/22/831019722.db2.gz AKOWDJDKFHQVAN-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073923 831021536 /nfs/dbraw/zinc/02/15/36/831021536.db2.gz SNJZANXKEOFSPS-QWRGUYRKSA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073923 831021546 /nfs/dbraw/zinc/02/15/46/831021546.db2.gz SNJZANXKEOFSPS-QWRGUYRKSA-N 1 3 325.413 -0.979 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361675 831060498 /nfs/dbraw/zinc/06/04/98/831060498.db2.gz MTBMHHVHDUOPOY-UHFFFAOYSA-N 1 3 341.456 -0.196 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001152136375 831134242 /nfs/dbraw/zinc/13/42/42/831134242.db2.gz BLSSKIXOSYLACS-KBPBESRZSA-N 1 3 340.468 -0.140 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152237743 831145070 /nfs/dbraw/zinc/14/50/70/831145070.db2.gz SRVSBQJYXAZOIW-UHFFFAOYSA-N 1 3 334.486 -0.493 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001152457686 831165304 /nfs/dbraw/zinc/16/53/04/831165304.db2.gz HBBAHAITZCXXBF-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001155789921 831429838 /nfs/dbraw/zinc/42/98/38/831429838.db2.gz HWIJHTSDFQKXEH-JTQLQIEISA-N 1 3 326.426 -0.333 20 0 EBADHO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)s1 ZINC001155790961 831429979 /nfs/dbraw/zinc/42/99/79/831429979.db2.gz PVFQPDDQACMRRR-NSHDSACASA-N 1 3 340.453 -0.025 20 0 EBADHO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155822675 831433554 /nfs/dbraw/zinc/43/35/54/831433554.db2.gz XSEQEZDUOWSXIC-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001155822082 831433641 /nfs/dbraw/zinc/43/36/41/831433641.db2.gz HZXOCGPSONMPJI-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521676 831575137 /nfs/dbraw/zinc/57/51/37/831575137.db2.gz IISFBDDCLGXAAX-QMMMGPOBSA-N 1 3 330.314 -0.552 20 0 EBADHO C[NH+]1CCN(C(=N)Nc2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC001157914841 831607809 /nfs/dbraw/zinc/60/78/09/831607809.db2.gz MUIYPWJKEQMNTJ-UHFFFAOYSA-N 1 3 332.817 -0.024 20 0 EBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168494 831635262 /nfs/dbraw/zinc/63/52/62/831635262.db2.gz GNKYZCUZNJFDNL-LBPRGKRZSA-N 1 3 327.450 -0.492 20 0 EBADHO O=C(c1[nH]nc2c1CNCC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158285591 831644143 /nfs/dbraw/zinc/64/41/43/831644143.db2.gz LFJVPGVRGJWDQD-UHFFFAOYSA-N 1 3 342.407 -0.618 20 0 EBADHO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@H]4C[NH2+]CC45CNC5)C[C@H]3O2)n1 ZINC001158693344 831679389 /nfs/dbraw/zinc/67/93/89/831679389.db2.gz MMPSSQXBDLUECS-RFQIPJPRSA-N 1 3 347.419 -0.134 20 0 EBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001158790014 831686428 /nfs/dbraw/zinc/68/64/28/831686428.db2.gz HYUKJTNDUFZOCU-QWRGUYRKSA-N 1 3 342.469 -0.611 20 0 EBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001158790431 831686880 /nfs/dbraw/zinc/68/68/80/831686880.db2.gz LWLHYZHYBULMJS-OGHNNQOOSA-N 1 3 348.451 -0.431 20 0 EBADHO CNC(=O)CN1CCCC12CCN(C(=O)C1(N)CC[NH2+]CC1)CC2 ZINC001158891173 831693727 /nfs/dbraw/zinc/69/37/27/831693727.db2.gz VIAHUNHCQINRIV-UHFFFAOYSA-N 1 3 337.468 -0.730 20 0 EBADHO O=C([C@@H]1CNCCN1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903247 831694710 /nfs/dbraw/zinc/69/47/10/831694710.db2.gz MWUBIFAMDJWUAM-JDFRZJQESA-N 1 3 349.410 -0.364 20 0 EBADHO N[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)C1CC[NH2+]CC1 ZINC001159273681 831733703 /nfs/dbraw/zinc/73/37/03/831733703.db2.gz SXGWPUNIPOPSJY-YCPHGPKFSA-N 1 3 346.435 -0.781 20 0 EBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1(N)CC1)CC2 ZINC001159608251 831765332 /nfs/dbraw/zinc/76/53/32/831765332.db2.gz HSWJOFBSZOOOJF-UHFFFAOYSA-N 1 3 337.468 -0.826 20 0 EBADHO [NH3+]CCNCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666011 831770242 /nfs/dbraw/zinc/77/02/42/831770242.db2.gz NSSBHOOSALJPKJ-HOTGVXAUSA-N 1 3 333.436 -0.568 20 0 EBADHO N[C@@H](CC[NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667859 831771334 /nfs/dbraw/zinc/77/13/34/831771334.db2.gz VKQCCWHGXBRYEV-PMPSAXMXSA-N 1 3 333.436 -0.441 20 0 EBADHO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H](N)CCCC[NH3+])C3)CC2=O)cn1 ZINC001159751623 831778277 /nfs/dbraw/zinc/77/82/77/831778277.db2.gz UPEKLOZSLCZLSB-YOEHRIQHSA-N 1 3 348.451 -0.168 20 0 EBADHO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H](N)CCCC[NH3+])C3)CC2=O)cn1 ZINC001159751621 831778710 /nfs/dbraw/zinc/77/87/10/831778710.db2.gz UPEKLOZSLCZLSB-WMLDXEAASA-N 1 3 348.451 -0.168 20 0 EBADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC[C@H]21 ZINC001159782435 831782189 /nfs/dbraw/zinc/78/21/89/831782189.db2.gz QQSVZQMRYVNMBL-RBSFLKMASA-N 1 3 334.464 -0.099 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001159933048 831799203 /nfs/dbraw/zinc/79/92/03/831799203.db2.gz YNSIXNOGOBCSAQ-CJNGLKHVSA-N 1 3 340.468 -0.425 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)C1CCC1 ZINC001159997377 831804797 /nfs/dbraw/zinc/80/47/97/831804797.db2.gz OETMUNXJDNAIEM-UHFFFAOYSA-N 1 3 340.468 -0.138 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160057093 831810507 /nfs/dbraw/zinc/81/05/07/831810507.db2.gz FXIAUPSTFMXNSW-CQSZACIVSA-N 1 3 343.435 -0.019 20 0 EBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CCCC[NH3+])[C@@H]2C1 ZINC001160295622 831835280 /nfs/dbraw/zinc/83/52/80/831835280.db2.gz PJVXKONVYGIAMY-BYNSBNAKSA-N 1 3 340.468 -0.027 20 0 EBADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160411757 831845830 /nfs/dbraw/zinc/84/58/30/831845830.db2.gz HAKOGSLRRNHTMN-HZSPNIEDSA-N 1 3 344.415 -0.239 20 0 EBADHO Cn1ncc2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160564411 831862876 /nfs/dbraw/zinc/86/28/76/831862876.db2.gz GVGBNWFTTDIWLQ-KBPBESRZSA-N 1 3 348.451 -0.290 20 0 EBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001160806759 831889087 /nfs/dbraw/zinc/88/90/87/831889087.db2.gz VEAYWAKKZOTTCW-LBPRGKRZSA-N 1 3 347.419 -0.747 20 0 EBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160823516 831891863 /nfs/dbraw/zinc/89/18/63/831891863.db2.gz HSYNNSNEYQNPTB-HACGYAERSA-N 1 3 347.419 -0.402 20 0 EBADHO COc1cccnc1N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160846945 831894013 /nfs/dbraw/zinc/89/40/13/831894013.db2.gz SARNLCCTBYKHNO-LBPRGKRZSA-N 1 3 339.465 -0.242 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1)N(C)C ZINC001160890251 831904158 /nfs/dbraw/zinc/90/41/58/831904158.db2.gz ZYGZSAGVUPECFY-GOEBONIOSA-N 1 3 345.484 -0.021 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936023 831908548 /nfs/dbraw/zinc/90/85/48/831908548.db2.gz FJBLAFWMIJGJRR-ZDUSSCGKSA-N 1 3 337.449 -0.615 20 0 EBADHO CN(CCN(C)C(=O)[C@H]1COC2(C[NH2+]C2)CN1)Cc1ccccc1 ZINC001161160870 831933627 /nfs/dbraw/zinc/93/36/27/831933627.db2.gz IHDVVNWTOPMCNM-MRXNPFEDSA-N 1 3 332.448 -0.093 20 0 EBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001161264164 831942770 /nfs/dbraw/zinc/94/27/70/831942770.db2.gz KDCLWAGMIIBRCX-CYBMUJFWSA-N 1 3 332.470 -0.756 20 0 EBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)nc1 ZINC001161299556 831945469 /nfs/dbraw/zinc/94/54/69/831945469.db2.gz XFDKBVUVAIFEOB-OCCSQVGLSA-N 1 3 335.408 -0.208 20 0 EBADHO Cc1cc(O[C@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)ncn1 ZINC001161310064 831947223 /nfs/dbraw/zinc/94/72/23/831947223.db2.gz XLEYQNILSRPHRR-UONOGXRCSA-N 1 3 331.420 -0.036 20 0 EBADHO CC(C)N(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)[C@H]1CC[NH2+]C1 ZINC001161352501 831950484 /nfs/dbraw/zinc/95/04/84/831950484.db2.gz BZXIYODJOVMOQC-AVGNSLFASA-N 1 3 326.441 -0.104 20 0 EBADHO O=C([C@H]1COC2(CNC2)CN1)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388275 831952789 /nfs/dbraw/zinc/95/27/89/831952789.db2.gz XFUYRTZWTMANJV-CQSZACIVSA-N 1 3 349.410 -0.364 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161602121 831977370 /nfs/dbraw/zinc/97/73/70/831977370.db2.gz RMFCPFSEDRWLRO-RWMBFGLXSA-N 1 3 334.461 -0.723 20 0 EBADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872376 832068223 /nfs/dbraw/zinc/06/82/23/832068223.db2.gz PYEWEFSLMVVTGB-XOYHFGRZSA-N 1 3 338.452 -0.530 20 0 EBADHO Cn1nccc1CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872083 832069162 /nfs/dbraw/zinc/06/91/62/832069162.db2.gz GHTRJLWPUOIZLU-BFHRDPOASA-N 1 3 347.463 -0.078 20 0 EBADHO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)cn1 ZINC001162872660 832069989 /nfs/dbraw/zinc/06/99/89/832069989.db2.gz ZQJLRVCQCYZSNW-GULBITTBSA-N 1 3 333.436 -0.121 20 0 EBADHO O=C(NCC1C[NH2+]C1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001350342734 832157298 /nfs/dbraw/zinc/15/72/98/832157298.db2.gz NYIRVKBREIAVMZ-UHFFFAOYSA-N 1 3 345.447 -0.255 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCCNCC(=O)Nc2nncs2)CC1 ZINC001165254149 832208575 /nfs/dbraw/zinc/20/85/75/832208575.db2.gz NLZMWSWIAXQZIR-UHFFFAOYSA-N 1 3 340.453 -0.086 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627435 832274668 /nfs/dbraw/zinc/27/46/68/832274668.db2.gz VTIOJLGIXCWZHX-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166627461 832275330 /nfs/dbraw/zinc/27/53/30/832275330.db2.gz WBSMPVLMGPLFHS-GFCCVEGCSA-N 1 3 325.413 -0.882 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633845 832275662 /nfs/dbraw/zinc/27/56/62/832275662.db2.gz KWDKHVLBLXYHEC-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634905 832276147 /nfs/dbraw/zinc/27/61/47/832276147.db2.gz YGMYNQONZQYJRP-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001166668054 832277493 /nfs/dbraw/zinc/27/74/93/832277493.db2.gz PSCLPSLBYGMPAI-AWEZNQCLSA-N 1 3 340.468 -0.281 20 0 EBADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001167260607 832322028 /nfs/dbraw/zinc/32/20/28/832322028.db2.gz AESFERJVZBJQSP-ZDUSSCGKSA-N 1 3 348.513 -0.248 20 0 EBADHO CN(CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001353278094 832419236 /nfs/dbraw/zinc/41/92/36/832419236.db2.gz KRLSLRYPYOQDGN-CQSZACIVSA-N 1 3 338.452 -0.528 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001168763165 832434647 /nfs/dbraw/zinc/43/46/47/832434647.db2.gz KZLQKHGUUMWDSK-OAHLLOKOSA-N 1 3 345.484 -0.019 20 0 EBADHO O=C(CN1CCC(CO)CC1)NCCCCC[NH+]1CCNCC1 ZINC001354969826 832540915 /nfs/dbraw/zinc/54/09/15/832540915.db2.gz KKVVLKNAOOYYQQ-UHFFFAOYSA-N 1 3 326.485 -0.118 20 0 EBADHO COc1nccc(CNCCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205151 832550723 /nfs/dbraw/zinc/55/07/23/832550723.db2.gz NWWXJBUKCVULNN-UHFFFAOYSA-N 1 3 325.413 -0.341 20 0 EBADHO COc1cncc(CNCCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205246 832550776 /nfs/dbraw/zinc/55/07/76/832550776.db2.gz ROJBJBAMGVHCBD-UHFFFAOYSA-N 1 3 325.413 -0.341 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001171509204 832561985 /nfs/dbraw/zinc/56/19/85/832561985.db2.gz NCJMBYXDJPZHGM-NWDGAFQWSA-N 1 3 329.445 -0.214 20 0 EBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN)CCN1C(=O)c1ccccc1 ZINC001173490462 832584921 /nfs/dbraw/zinc/58/49/21/832584921.db2.gz LKHUPSVKDXDEPU-ZNMIVQPWSA-N 1 3 335.404 -0.258 20 0 EBADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176948279 832715616 /nfs/dbraw/zinc/71/56/16/832715616.db2.gz OHZNBMGTFZGGHA-UHFFFAOYSA-N 1 3 335.408 -0.347 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001176986483 832725794 /nfs/dbraw/zinc/72/57/94/832725794.db2.gz PKGNDXFCSKWJCG-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001178698756 832901097 /nfs/dbraw/zinc/90/10/97/832901097.db2.gz STBMKLUNVDJPFR-AWEZNQCLSA-N 1 3 341.456 -0.212 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178813803 832915539 /nfs/dbraw/zinc/91/55/39/832915539.db2.gz JTIAQEUCBKXPQD-TUAOUCFPSA-N 1 3 345.419 -0.560 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481455 832982083 /nfs/dbraw/zinc/98/20/83/832982083.db2.gz HLBBFSFOQVJKPO-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179534760 832986177 /nfs/dbraw/zinc/98/61/77/832986177.db2.gz VHQKRZWPKIMOML-IHRRRGAJSA-N 1 3 346.497 -0.401 20 0 EBADHO C[C@H](NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187107070 833900993 /nfs/dbraw/zinc/90/09/93/833900993.db2.gz UHCFGWSRFWYHGM-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115261 833903018 /nfs/dbraw/zinc/90/30/18/833903018.db2.gz HYCMGJYLAUMKLG-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC001187115786 833903198 /nfs/dbraw/zinc/90/31/98/833903198.db2.gz SZHLDBWZSXZTBC-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122449 833903803 /nfs/dbraw/zinc/90/38/03/833903803.db2.gz STSOGNCPTOWFIR-CQSZACIVSA-N 1 3 338.452 -0.575 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001187276635 833915424 /nfs/dbraw/zinc/91/54/24/833915424.db2.gz QFHDTHWSYCAWBH-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001187276635 833915430 /nfs/dbraw/zinc/91/54/30/833915430.db2.gz QFHDTHWSYCAWBH-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001187306002 833917805 /nfs/dbraw/zinc/91/78/05/833917805.db2.gz CVOFLORBHFFVFY-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001187306002 833917813 /nfs/dbraw/zinc/91/78/13/833917813.db2.gz CVOFLORBHFFVFY-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189787617 834192318 /nfs/dbraw/zinc/19/23/18/834192318.db2.gz RMVKCLVWIWVYDU-HRCADAONSA-N 1 3 325.453 -0.130 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189787617 834192322 /nfs/dbraw/zinc/19/23/22/834192322.db2.gz RMVKCLVWIWVYDU-HRCADAONSA-N 1 3 325.453 -0.130 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328993 837748574 /nfs/dbraw/zinc/74/85/74/837748574.db2.gz LYIKMRLCZDHIDJ-BZUAXINKSA-N 1 3 343.468 -0.053 20 0 EBADHO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328993 837748581 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CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001200634869 835999026 /nfs/dbraw/zinc/99/90/26/835999026.db2.gz NAOGJGUUWYEBPI-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688680 836017274 /nfs/dbraw/zinc/01/72/74/836017274.db2.gz TYKHIRXZRSKCPK-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001200794396 836034969 /nfs/dbraw/zinc/03/49/69/836034969.db2.gz CBRKKFYIMFLTFI-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001200794817 836035050 /nfs/dbraw/zinc/03/50/50/836035050.db2.gz FVKZIWNLSXYCDH-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001201052940 836086082 /nfs/dbraw/zinc/08/60/82/836086082.db2.gz IJMWBDRGVXYBRP-ZDUSSCGKSA-N 1 3 325.413 -0.898 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262658 836120190 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CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001201811092 836195762 /nfs/dbraw/zinc/19/57/62/836195762.db2.gz VOUXCSCGGYQMRR-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060539 836247726 /nfs/dbraw/zinc/24/77/26/836247726.db2.gz ZLZDMTAKERIKPO-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060539 836247741 /nfs/dbraw/zinc/24/77/41/836247741.db2.gz ZLZDMTAKERIKPO-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001202496151 836308233 /nfs/dbraw/zinc/30/82/33/836308233.db2.gz OYISSJNCQHWOHY-NSHDSACASA-N 1 3 325.413 -0.896 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NC(=O)NC1CC1 ZINC001202669058 836333345 /nfs/dbraw/zinc/33/33/45/836333345.db2.gz WCGRWCUWWPHYOG-UHFFFAOYSA-N 1 3 348.407 -0.479 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202674870 836334449 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C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)NC(N)=O ZINC001206409432 836646882 /nfs/dbraw/zinc/64/68/82/836646882.db2.gz GPBVEQPZVMGPIY-JTQLQIEISA-N 1 3 336.396 -0.636 20 0 EBADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206654025 836665930 /nfs/dbraw/zinc/66/59/30/836665930.db2.gz SMQGMCILOOSOSX-UHFFFAOYSA-N 1 3 327.429 -0.649 20 0 EBADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001206654023 836666559 /nfs/dbraw/zinc/66/65/59/836666559.db2.gz SJMASTYFCVWJQC-CQSZACIVSA-N 1 3 338.452 -0.038 20 0 EBADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001206890480 836694437 /nfs/dbraw/zinc/69/44/37/836694437.db2.gz UADPJLKYDPNGNB-LBPRGKRZSA-N 1 3 341.456 -0.260 20 0 EBADHO NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063675 836938893 /nfs/dbraw/zinc/93/88/93/836938893.db2.gz RSGXHGSKYCQYRS-STQMWFEESA-N 1 3 337.424 -0.896 20 0 EBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448128 837042373 /nfs/dbraw/zinc/04/23/73/837042373.db2.gz VZPLJZQZCOYYKS-GDBMZVCRSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H](N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001209419506 837166408 /nfs/dbraw/zinc/16/64/08/837166408.db2.gz NDKIUTQEIPKVGG-WCQYABFASA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001209640994 837183719 /nfs/dbraw/zinc/18/37/19/837183719.db2.gz GKXOANRMYIELLG-KGLIPLIRSA-N 1 3 346.497 -0.542 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001209951853 837219638 /nfs/dbraw/zinc/21/96/38/837219638.db2.gz NWMHJPZLKAQBEZ-ZDUSSCGKSA-N 1 3 339.440 -0.506 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210221259 837256166 /nfs/dbraw/zinc/25/61/66/837256166.db2.gz YPODUNPLXVMXRC-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338546 837272383 /nfs/dbraw/zinc/27/23/83/837272383.db2.gz FYZZAGTTXLFBNM-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 ZINC001210678885 837317915 /nfs/dbraw/zinc/31/79/15/837317915.db2.gz XMEUBBXVVNQAQO-ZDUSSCGKSA-N 1 3 335.470 -0.810 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001210796761 837332836 /nfs/dbraw/zinc/33/28/36/837332836.db2.gz JOLCKUIQXWXSSB-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001210796761 837332846 /nfs/dbraw/zinc/33/28/46/837332846.db2.gz JOLCKUIQXWXSSB-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210812186 837333563 /nfs/dbraw/zinc/33/35/63/837333563.db2.gz UJPNPLOURKDAAR-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210811917 837334141 /nfs/dbraw/zinc/33/41/41/837334141.db2.gz ROKUHWOVHYOFNG-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO CCOCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730158 837854127 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CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001326413178 840102014 /nfs/dbraw/zinc/10/20/14/840102014.db2.gz XMTSFXIAXUTODZ-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001326560241 840135620 /nfs/dbraw/zinc/13/56/20/840135620.db2.gz HITRCIAYHWZSBI-ZNMIVQPWSA-N 1 3 340.468 -0.249 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001330918863 841295629 /nfs/dbraw/zinc/29/56/29/841295629.db2.gz UAGJCPIEZYLPSB-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC001331169530 841362690 /nfs/dbraw/zinc/36/26/90/841362690.db2.gz WITIRNMRJLEBHJ-UONOGXRCSA-N 1 3 339.484 -0.485 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331620337 841442406 /nfs/dbraw/zinc/44/24/06/841442406.db2.gz UZPWCVOVCHEUDS-KFWWJZLASA-N 1 3 339.484 -0.770 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566220 841672460 /nfs/dbraw/zinc/67/24/60/841672460.db2.gz MPLRRGRQQJWISD-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(CCOCCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001333266197 841839444 /nfs/dbraw/zinc/83/94/44/841839444.db2.gz DDWJDYRYQQXRJZ-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CN(CCOCCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001333266197 841839453 /nfs/dbraw/zinc/83/94/53/841839453.db2.gz DDWJDYRYQQXRJZ-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001340075166 842968461 /nfs/dbraw/zinc/96/84/61/842968461.db2.gz MZGXVQHPZNAIAV-IHRRRGAJSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340206390 842981739 /nfs/dbraw/zinc/98/17/39/842981739.db2.gz RWNVUTPNDOSJLG-PBHICJAKSA-N 1 3 340.468 -0.450 20 0 EBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(C)CCN(C)CC1 ZINC001341394563 843084317 /nfs/dbraw/zinc/08/43/17/843084317.db2.gz BYTSXERZIYAZLG-HNNXBMFYSA-N 1 3 327.473 -0.818 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)CC1 ZINC001346036048 843473485 /nfs/dbraw/zinc/47/34/85/843473485.db2.gz DGXLSZIKBJGUIP-VNQPRFMTSA-N 1 3 349.479 -0.766 20 0 EBADHO CN1CCC(O)(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001346250503 843491835 /nfs/dbraw/zinc/49/18/35/843491835.db2.gz FCIZBWWRLWOJCN-CYBMUJFWSA-N 1 3 347.415 -0.310 20 0 EBADHO CC(C)N(C)CC(=O)N1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001348239908 843673910 /nfs/dbraw/zinc/67/39/10/843673910.db2.gz TVNBEMTYQVQMFD-UHFFFAOYSA-N 1 3 328.457 -0.424 20 0 EBADHO CCN(C(=O)C(=O)NCCCCN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC001350029358 843959837 /nfs/dbraw/zinc/95/98/37/843959837.db2.gz RMLFRTDNDGIMOI-OAHLLOKOSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1C ZINC001481215465 1125945099 /nfs/dbraw/zinc/94/50/99/1125945099.db2.gz JNGPMPGCECIAKK-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481275037 1125961694 /nfs/dbraw/zinc/96/16/94/1125961694.db2.gz AWPOZYOIPVMDGI-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001481819400 1126059104 /nfs/dbraw/zinc/05/91/04/1126059104.db2.gz VWTFMFCRLRZMFQ-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001482290144 1126120549 /nfs/dbraw/zinc/12/05/49/1126120549.db2.gz YZLLMKHSCULYJV-RWMBFGLXSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(=O)NC)CC[N@H+]1C ZINC001482290144 1126120550 /nfs/dbraw/zinc/12/05/50/1126120550.db2.gz YZLLMKHSCULYJV-RWMBFGLXSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364343 1126138997 /nfs/dbraw/zinc/13/89/97/1126138997.db2.gz HNMAWXDHJBTPDN-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482364343 1126138999 /nfs/dbraw/zinc/13/89/99/1126138999.db2.gz HNMAWXDHJBTPDN-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001482366294 1126139363 /nfs/dbraw/zinc/13/93/63/1126139363.db2.gz QKGKPJKKAXCVLF-CYBMUJFWSA-N 1 3 341.456 -0.116 20 0 EBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001648970728 1126184768 /nfs/dbraw/zinc/18/47/68/1126184768.db2.gz VUPKPLJOGQNWDY-YDHLFZDLSA-N 1 3 326.441 -0.545 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775120 1126284960 /nfs/dbraw/zinc/28/49/60/1126284960.db2.gz OGMOOCYXMKEDCI-LSDHHAIUSA-N 1 3 340.468 -0.452 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483142999 1126345871 /nfs/dbraw/zinc/34/58/71/1126345871.db2.gz OSGYUPUYSCDCKZ-LLVKDONJSA-N 1 3 341.456 -0.071 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001483142999 1126345873 /nfs/dbraw/zinc/34/58/73/1126345873.db2.gz OSGYUPUYSCDCKZ-LLVKDONJSA-N 1 3 341.456 -0.071 20 0 EBADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566798 1126435441 /nfs/dbraw/zinc/43/54/41/1126435441.db2.gz UGIJNIBVJDNSJQ-STQMWFEESA-N 1 3 336.436 -0.240 20 0 EBADHO C[C@H](NC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597043 1126438870 /nfs/dbraw/zinc/43/88/70/1126438870.db2.gz UJUCMRIKSGRTQZ-FZMZJTMJSA-N 1 3 326.441 -0.545 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC001483746198 1126468282 /nfs/dbraw/zinc/46/82/82/1126468282.db2.gz KJDOCWKIVGZKKI-CHWSQXEVSA-N 1 3 331.482 0.000 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001483944935 1126491911 /nfs/dbraw/zinc/49/19/11/1126491911.db2.gz JNHCONZIDJAVCK-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO O=C(NC[C@]1(O)CCN(CCn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001484216392 1126524025 /nfs/dbraw/zinc/52/40/25/1126524025.db2.gz LUBUKYYGSBEQIS-FUHWJXTLSA-N 1 3 347.463 -0.222 20 0 EBADHO CCn1cc(CCN2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001484252281 1126544965 /nfs/dbraw/zinc/54/49/65/1126544965.db2.gz UIPJZZBVEHBNQM-AEFFLSMTSA-N 1 3 349.479 -0.050 20 0 EBADHO CCn1cc(CCN2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001484252281 1126544966 /nfs/dbraw/zinc/54/49/66/1126544966.db2.gz UIPJZZBVEHBNQM-AEFFLSMTSA-N 1 3 349.479 -0.050 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001484414846 1126571927 /nfs/dbraw/zinc/57/19/27/1126571927.db2.gz DNJRDRHCLDCJIV-HZSPNIEDSA-N 1 3 336.436 -0.478 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001484414846 1126571929 /nfs/dbraw/zinc/57/19/29/1126571929.db2.gz DNJRDRHCLDCJIV-HZSPNIEDSA-N 1 3 336.436 -0.478 20 0 EBADHO C[C@@H](NCCN(CCO)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001484493310 1126592551 /nfs/dbraw/zinc/59/25/51/1126592551.db2.gz XHJMIMNBIUHCQZ-CYBMUJFWSA-N 1 3 340.468 -0.594 20 0 EBADHO CN1CC[C@H](NCCN(CCO)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001484490254 1126593584 /nfs/dbraw/zinc/59/35/84/1126593584.db2.gz VSOFHHBHENUHRV-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692933 1126620014 /nfs/dbraw/zinc/62/00/14/1126620014.db2.gz QEYLIXIKKYRPCJ-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO CC(C)[C@H](C(=O)N1CCO[C@@H](CNCC(=O)NC2CC2)C1)[NH+](C)C ZINC001484687151 1126621689 /nfs/dbraw/zinc/62/16/89/1126621689.db2.gz FQAYHAMJUWVEHK-GOEBONIOSA-N 1 3 340.468 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1 ZINC001484873059 1126648115 /nfs/dbraw/zinc/64/81/15/1126648115.db2.gz TVTAHVSKEHJCQJ-AWEZNQCLSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001484908836 1126652586 /nfs/dbraw/zinc/65/25/86/1126652586.db2.gz BLNYRHNDOAYOHT-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@H](NCC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001484959218 1126659135 /nfs/dbraw/zinc/65/91/35/1126659135.db2.gz LGSZTKYBJSXPFF-LBPRGKRZSA-N 1 3 326.441 -0.855 20 0 EBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCN1C(=O)CCC1=O ZINC001485343548 1126691443 /nfs/dbraw/zinc/69/14/43/1126691443.db2.gz GNLGGULJUXLOCK-ZDUSSCGKSA-N 1 3 338.452 -0.086 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647259 1126789705 /nfs/dbraw/zinc/78/97/05/1126789705.db2.gz AEMGMUAFYYIVNX-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC001486124228 1127041683 /nfs/dbraw/zinc/04/16/83/1127041683.db2.gz NGTWFKZCIKHAMJ-WCQYABFASA-N 1 3 348.407 -0.527 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001486281810 1127078378 /nfs/dbraw/zinc/07/83/78/1127078378.db2.gz VHKGNTIDJONZIQ-QWHCGFSZSA-N 1 3 326.441 -0.842 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284353 1127081430 /nfs/dbraw/zinc/08/14/30/1127081430.db2.gz HGWPTOYVUNEZQI-ZIAGYGMSSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001486310884 1127123788 /nfs/dbraw/zinc/12/37/88/1127123788.db2.gz NKYXTPNYDKXUFM-KBPBESRZSA-N 1 3 344.500 -0.150 20 0 EBADHO CN(CCn1cccn1)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486346363 1127157740 /nfs/dbraw/zinc/15/77/40/1127157740.db2.gz DAAVZSJVJAOBHK-MRXNPFEDSA-N 1 3 337.468 -0.024 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001410125230 1127590403 /nfs/dbraw/zinc/59/04/03/1127590403.db2.gz IMMVMUUTZIDWOE-QWHCGFSZSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001410125230 1127590405 /nfs/dbraw/zinc/59/04/05/1127590405.db2.gz IMMVMUUTZIDWOE-QWHCGFSZSA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127377 1127591997 /nfs/dbraw/zinc/59/19/97/1127591997.db2.gz COPLUEYQHTUSJE-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H](NCC(=O)N1CCCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155496 1127616994 /nfs/dbraw/zinc/61/69/94/1127616994.db2.gz IDSJLMVQBFPHBX-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001410372215 1127691993 /nfs/dbraw/zinc/69/19/93/1127691993.db2.gz FTVOLSINFBTSHC-SDDRHHMPSA-N 1 3 327.429 -0.652 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)CC[N@H+]1C ZINC001410372215 1127692001 /nfs/dbraw/zinc/69/20/01/1127692001.db2.gz FTVOLSINFBTSHC-SDDRHHMPSA-N 1 3 327.429 -0.652 20 0 EBADHO CN(CC1CC1)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001410690970 1127814917 /nfs/dbraw/zinc/81/49/17/1127814917.db2.gz ZZSHTWVRBYIKJS-GJZGRUSLSA-N 1 3 340.468 -0.594 20 0 EBADHO Cc1nc(C)n(CCN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410758991 1127870238 /nfs/dbraw/zinc/87/02/38/1127870238.db2.gz XFRRFXACAXSGTM-LSDHHAIUSA-N 1 3 338.456 -0.697 20 0 EBADHO Cc1nc(C)n(CCN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001410758991 1127870242 /nfs/dbraw/zinc/87/02/42/1127870242.db2.gz XFRRFXACAXSGTM-LSDHHAIUSA-N 1 3 338.456 -0.697 20 0 EBADHO CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001411080947 1128005515 /nfs/dbraw/zinc/00/55/15/1128005515.db2.gz PJSAVZAFAFHFEB-KGLIPLIRSA-N 1 3 338.452 -0.840 20 0 EBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001411156257 1128048569 /nfs/dbraw/zinc/04/85/69/1128048569.db2.gz WZKNQFRYSUMIFN-KBPBESRZSA-N 1 3 328.457 -0.642 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220093 1128095222 /nfs/dbraw/zinc/09/52/22/1128095222.db2.gz DRMWSXSQAHXQBI-MNOVXSKESA-N 1 3 327.429 -0.747 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220093 1128095224 /nfs/dbraw/zinc/09/52/24/1128095224.db2.gz DRMWSXSQAHXQBI-MNOVXSKESA-N 1 3 327.429 -0.747 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H](CNCC(=O)NC(N)=O)C(C)(C)C)CC1 ZINC001411224415 1128096753 /nfs/dbraw/zinc/09/67/53/1128096753.db2.gz ONVVAPLCMJKLRQ-LBPRGKRZSA-N 1 3 341.456 -0.356 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CNCCS(C)(=O)=O)C2)CC1 ZINC001280627304 1128110614 /nfs/dbraw/zinc/11/06/14/1128110614.db2.gz DKWPZYJDGCLVNU-AWEZNQCLSA-N 1 3 347.481 -0.810 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001691709076 1128667233 /nfs/dbraw/zinc/66/72/33/1128667233.db2.gz OMVSKCBRKKCLTP-BETUJISGSA-N 1 3 346.497 -0.496 20 0 EBADHO CS(=O)(=O)CCN[C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001488736079 1128833366 /nfs/dbraw/zinc/83/33/66/1128833366.db2.gz MZFYHRHLPFZAHZ-CFVMTHIKSA-N 1 3 343.493 -0.143 20 0 EBADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774615 1128841748 /nfs/dbraw/zinc/84/17/48/1128841748.db2.gz XAOVLQDTDXECEL-QNWHQSFQSA-N 1 3 339.440 -0.604 20 0 EBADHO CC1CCN(CC(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)CC1 ZINC001489168839 1128915939 /nfs/dbraw/zinc/91/59/39/1128915939.db2.gz LURQFCSXLISMFZ-INIZCTEOSA-N 1 3 327.469 -0.004 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1O)N(C)C ZINC001489364722 1128966976 /nfs/dbraw/zinc/96/69/76/1128966976.db2.gz HSCPLEJSGDLEGC-MGPQQGTHSA-N 1 3 342.484 -0.255 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1O)N(C)C ZINC001489364722 1128966980 /nfs/dbraw/zinc/96/69/80/1128966980.db2.gz HSCPLEJSGDLEGC-MGPQQGTHSA-N 1 3 342.484 -0.255 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337842 1130026219 /nfs/dbraw/zinc/02/62/19/1130026219.db2.gz QMIOQEAUNUGWOA-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001490897670 1130229254 /nfs/dbraw/zinc/22/92/54/1130229254.db2.gz NINBDFPAPJAMBH-HAQNSBGRSA-N 1 3 339.440 -0.447 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001491073807 1130315201 /nfs/dbraw/zinc/31/52/01/1130315201.db2.gz UIGNGUMRRVKASA-OKILXGFUSA-N 1 3 326.441 -0.576 20 0 EBADHO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@H](OC)C1 ZINC001213127276 1130520221 /nfs/dbraw/zinc/52/02/21/1130520221.db2.gz RLGGFDGKDHJHNO-ARFHVFGLSA-N 1 3 348.403 -0.229 20 0 EBADHO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@H](OC)C1 ZINC001213127276 1130520227 /nfs/dbraw/zinc/52/02/27/1130520227.db2.gz RLGGFDGKDHJHNO-ARFHVFGLSA-N 1 3 348.403 -0.229 20 0 EBADHO COC[C@@H](O)CN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127276 1130520231 /nfs/dbraw/zinc/52/02/31/1130520231.db2.gz RLGGFDGKDHJHNO-ARFHVFGLSA-N 1 3 348.403 -0.229 20 0 EBADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC001492215249 1130601204 /nfs/dbraw/zinc/60/12/04/1130601204.db2.gz OHCMRNQNCRJCIN-ZBFHGGJFSA-N 1 3 343.468 -0.315 20 0 EBADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC001492215249 1130601207 /nfs/dbraw/zinc/60/12/07/1130601207.db2.gz OHCMRNQNCRJCIN-ZBFHGGJFSA-N 1 3 343.468 -0.315 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001413969751 1130870880 /nfs/dbraw/zinc/87/08/80/1130870880.db2.gz GDIRMCGVWAWXPX-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001413969751 1130870888 /nfs/dbraw/zinc/87/08/88/1130870888.db2.gz GDIRMCGVWAWXPX-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001357502709 1131097026 /nfs/dbraw/zinc/09/70/26/1131097026.db2.gz FBVUIIAKWZKNLU-HNNXBMFYSA-N 1 3 339.484 -0.720 20 0 EBADHO Cn1ccn2c(CCNC3CC[NH+](CC(C)(C)O)CC3)nnc2c1=O ZINC001365012374 1132519507 /nfs/dbraw/zinc/51/95/07/1132519507.db2.gz BOQKIPZRBPUVAF-UHFFFAOYSA-N 1 3 348.451 -0.205 20 0 EBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001365832887 1132822977 /nfs/dbraw/zinc/82/29/77/1132822977.db2.gz FHELJZVHSCRREB-JOCQHMNTSA-N 1 3 331.482 0.000 20 0 EBADHO C[NH+]1CCC(CC(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)CC1 ZINC001366053511 1132983110 /nfs/dbraw/zinc/98/31/10/1132983110.db2.gz AKXWLOVBQXKCKH-CYBMUJFWSA-N 1 3 339.440 -0.602 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366089819 1132996944 /nfs/dbraw/zinc/99/69/44/1132996944.db2.gz CWUJKEXONFILBL-RYUDHWBXSA-N 1 3 345.419 -0.688 20 0 EBADHO C[C@H]1CN(C(=O)CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001366097838 1133003701 /nfs/dbraw/zinc/00/37/01/1133003701.db2.gz JVCKHPZXMZHJOX-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001366124721 1133017224 /nfs/dbraw/zinc/01/72/24/1133017224.db2.gz MOSPHQQPCAVIKQ-BJDJZHNGSA-N 1 3 327.429 -0.593 20 0 EBADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221741 1133062819 /nfs/dbraw/zinc/06/28/19/1133062819.db2.gz ZKSUUWMPBYPFGT-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC001366393548 1133127387 /nfs/dbraw/zinc/12/73/87/1133127387.db2.gz SVHLVESDZYFCKA-ZDUSSCGKSA-N 1 3 347.481 -0.668 20 0 EBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001366769527 1133289986 /nfs/dbraw/zinc/28/99/86/1133289986.db2.gz PYUHLPPWDOUNAN-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001367192741 1133498044 /nfs/dbraw/zinc/49/80/44/1133498044.db2.gz WWDQBBMVIBPGDR-HAQNSBGRSA-N 1 3 339.440 -0.317 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC[C@H]1CCOC1 ZINC001367220114 1133505137 /nfs/dbraw/zinc/50/51/37/1133505137.db2.gz JYRLNVGIURKMJW-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C(=O)CN1CCCC1 ZINC001367405239 1133580369 /nfs/dbraw/zinc/58/03/69/1133580369.db2.gz NTILYTGEMCCTLI-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)CN1CCCC1 ZINC001367408959 1133582006 /nfs/dbraw/zinc/58/20/06/1133582006.db2.gz VVVIRYBEYIZOET-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367419302 1133585351 /nfs/dbraw/zinc/58/53/51/1133585351.db2.gz ZPHSDXDZNHICEC-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367585235 1133655065 /nfs/dbraw/zinc/65/50/65/1133655065.db2.gz TWZNMCVYBOSAIL-ZDUSSCGKSA-N 1 3 328.457 -0.546 20 0 EBADHO O=C(CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCCC1 ZINC001367621386 1133706219 /nfs/dbraw/zinc/70/62/19/1133706219.db2.gz KPGDCBYNHHJDAP-AWEZNQCLSA-N 1 3 338.452 -0.839 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367677179 1133742427 /nfs/dbraw/zinc/74/24/27/1133742427.db2.gz SMWBRVAHFGWJDM-VXGBXAGGSA-N 1 3 341.456 -0.201 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367737685 1133765692 /nfs/dbraw/zinc/76/56/92/1133765692.db2.gz BAETVNCAPZBQQB-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001367763698 1133776313 /nfs/dbraw/zinc/77/63/13/1133776313.db2.gz MZDDCWMHQPRNLU-ZDUSSCGKSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H]1CN(C(=O)CNC[C@@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111292 1133943697 /nfs/dbraw/zinc/94/36/97/1133943697.db2.gz VHERMXXPORXDQP-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001368128264 1133951883 /nfs/dbraw/zinc/95/18/83/1133951883.db2.gz ZKBBCYSEJOTCGR-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144837 1133957520 /nfs/dbraw/zinc/95/75/20/1133957520.db2.gz MFBLYOPVMBYLJD-CVEARBPZSA-N 1 3 344.475 -0.123 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001368144837 1133957524 /nfs/dbraw/zinc/95/75/24/1133957524.db2.gz MFBLYOPVMBYLJD-CVEARBPZSA-N 1 3 344.475 -0.123 20 0 EBADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCc2cnn(C)c2)C1)C1CCC1 ZINC001368253503 1134034828 /nfs/dbraw/zinc/03/48/28/1134034828.db2.gz SRIKSHCCOWELRB-GOSISDBHSA-N 1 3 349.479 0.000 20 0 EBADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCc2cnn(C)c2)C1)C1CCC1 ZINC001368253503 1134034833 /nfs/dbraw/zinc/03/48/33/1134034833.db2.gz SRIKSHCCOWELRB-GOSISDBHSA-N 1 3 349.479 0.000 20 0 EBADHO CC[C@@H](C(=O)NCCN1CCC([NH2+]CC(=O)NC)CC1)N(C)C ZINC001368360003 1134164184 /nfs/dbraw/zinc/16/41/84/1134164184.db2.gz ARYHORIDBNAIKJ-AWEZNQCLSA-N 1 3 327.473 -0.757 20 0 EBADHO CN1CC[C@H](NCCN(CCO)C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001368395189 1134197952 /nfs/dbraw/zinc/19/79/52/1134197952.db2.gz IQKVCPGVJMWKEV-AWEZNQCLSA-N 1 3 338.452 -0.744 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001368478477 1134247068 /nfs/dbraw/zinc/24/70/68/1134247068.db2.gz AGRSGTZVBCEENS-LOWVWBTDSA-N 1 3 327.429 -0.748 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001368505980 1134258547 /nfs/dbraw/zinc/25/85/47/1134258547.db2.gz CPGSMJNBEHKMSI-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368515841 1134267824 /nfs/dbraw/zinc/26/78/24/1134267824.db2.gz WAOGTNUFINOEGL-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368515841 1134267827 /nfs/dbraw/zinc/26/78/27/1134267827.db2.gz WAOGTNUFINOEGL-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368535900 1134280497 /nfs/dbraw/zinc/28/04/97/1134280497.db2.gz PSGZXSZQWHYAMT-XQQFMLRXSA-N 1 3 339.440 -0.460 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001368572773 1134297790 /nfs/dbraw/zinc/29/77/90/1134297790.db2.gz FUYRWVBVTSZPJC-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001368572773 1134297796 /nfs/dbraw/zinc/29/77/96/1134297796.db2.gz FUYRWVBVTSZPJC-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001368625750 1134336721 /nfs/dbraw/zinc/33/67/21/1134336721.db2.gz ORKFMYMMQLPHDL-SQWLQELKSA-N 1 3 331.457 -0.723 20 0 EBADHO CC[C@H](C(=O)NC1(CO)CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001368771885 1134433626 /nfs/dbraw/zinc/43/36/26/1134433626.db2.gz LRDYUHMPXGJAMZ-UONOGXRCSA-N 1 3 331.457 -0.723 20 0 EBADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001368777671 1134435689 /nfs/dbraw/zinc/43/56/89/1134435689.db2.gz PGGJRPCXCOXXBL-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001369183589 1134609380 /nfs/dbraw/zinc/60/93/80/1134609380.db2.gz ZLQHGHCLEWUGJO-BJDJZHNGSA-N 1 3 327.429 -0.606 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001369229663 1134624657 /nfs/dbraw/zinc/62/46/57/1134624657.db2.gz PEZYWRRULQNRBI-VXGBXAGGSA-N 1 3 327.429 -0.652 20 0 EBADHO CCN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC001369331348 1134674444 /nfs/dbraw/zinc/67/44/44/1134674444.db2.gz BZZHFRIDJLXGBC-ZFWWWQNUSA-N 1 3 340.468 -0.452 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)[C@H]1C ZINC001369391372 1134752390 /nfs/dbraw/zinc/75/23/90/1134752390.db2.gz MUVZDELNJSRYNR-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)[C@H]1C ZINC001369391372 1134752393 /nfs/dbraw/zinc/75/23/93/1134752393.db2.gz MUVZDELNJSRYNR-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H](NC[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490458 1134864394 /nfs/dbraw/zinc/86/43/94/1134864394.db2.gz PLCWOLFHOUMVRH-HUUCEWRRSA-N 1 3 342.484 -0.252 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001370398734 1135333714 /nfs/dbraw/zinc/33/37/14/1135333714.db2.gz WXCBQBHUSNXDML-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001370401495 1135335220 /nfs/dbraw/zinc/33/52/20/1135335220.db2.gz CXJSDPKNJFABMU-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001370401495 1135335225 /nfs/dbraw/zinc/33/52/25/1135335225.db2.gz CXJSDPKNJFABMU-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001370406474 1135337688 /nfs/dbraw/zinc/33/76/88/1135337688.db2.gz VCAOCYHYIKXUTR-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001370406471 1135338328 /nfs/dbraw/zinc/33/83/28/1135338328.db2.gz VCAOCYHYIKXUTR-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001370480116 1135367961 /nfs/dbraw/zinc/36/79/61/1135367961.db2.gz OJFUYEBDUXNRAP-SRVKXCTJSA-N 1 3 345.419 -0.641 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001370495841 1135376495 /nfs/dbraw/zinc/37/64/95/1135376495.db2.gz ZVBQJPNJGWDYCJ-FDYHWXHSSA-N 1 3 341.456 -0.202 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370804066 1135646422 /nfs/dbraw/zinc/64/64/22/1135646422.db2.gz HHXLZYQROIEFJX-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001371197786 1135862568 /nfs/dbraw/zinc/86/25/68/1135862568.db2.gz CCIZPARZSVEWHT-OLZOCXBDSA-N 1 3 331.482 0.000 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001371206291 1135864120 /nfs/dbraw/zinc/86/41/20/1135864120.db2.gz UUTBVRJAFQMMAW-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001371472311 1135930152 /nfs/dbraw/zinc/93/01/52/1135930152.db2.gz HLTUABHUXGQIRN-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001371555661 1135969554 /nfs/dbraw/zinc/96/95/54/1135969554.db2.gz LQWNPGFENJGEEL-AWEZNQCLSA-N 1 3 326.441 -0.624 20 0 EBADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001371567840 1135972118 /nfs/dbraw/zinc/97/21/18/1135972118.db2.gz OPULIWHBCXGVHH-LLVKDONJSA-N 1 3 325.413 -0.896 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001371581830 1135975265 /nfs/dbraw/zinc/97/52/65/1135975265.db2.gz MFEHBTOTPPPSOF-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)COCC(F)(F)F ZINC001372220821 1136143580 /nfs/dbraw/zinc/14/35/80/1136143580.db2.gz PDALNONDMUYPPM-RYUDHWBXSA-N 1 3 341.374 -0.074 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)COCC(F)(F)F ZINC001372220821 1136143581 /nfs/dbraw/zinc/14/35/81/1136143581.db2.gz PDALNONDMUYPPM-RYUDHWBXSA-N 1 3 341.374 -0.074 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)COCC(F)(F)F ZINC001372221089 1136143623 /nfs/dbraw/zinc/14/36/23/1136143623.db2.gz PDALNONDMUYPPM-VXGBXAGGSA-N 1 3 341.374 -0.074 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)COCC(F)(F)F ZINC001372221089 1136143625 /nfs/dbraw/zinc/14/36/25/1136143625.db2.gz PDALNONDMUYPPM-VXGBXAGGSA-N 1 3 341.374 -0.074 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372941800 1136333167 /nfs/dbraw/zinc/33/31/67/1136333167.db2.gz CDRHXNXHIJDSSX-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372941800 1136333170 /nfs/dbraw/zinc/33/31/70/1136333170.db2.gz CDRHXNXHIJDSSX-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001372942900 1136333337 /nfs/dbraw/zinc/33/33/37/1136333337.db2.gz TYKONCRLOFMDLA-OLZOCXBDSA-N 1 3 343.472 -0.145 20 0 EBADHO COC[C@H](O)CN1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001373684741 1136536127 /nfs/dbraw/zinc/53/61/27/1136536127.db2.gz GUGZJWYIBBAIAN-HUUCEWRRSA-N 1 3 343.468 -0.363 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374250626 1136658253 /nfs/dbraw/zinc/65/82/53/1136658253.db2.gz RFZNYROBLNZQPD-OLZOCXBDSA-N 1 3 341.456 -0.262 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374250626 1136658255 /nfs/dbraw/zinc/65/82/55/1136658255.db2.gz RFZNYROBLNZQPD-OLZOCXBDSA-N 1 3 341.456 -0.262 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277718 1136664408 /nfs/dbraw/zinc/66/44/08/1136664408.db2.gz PZDPSHKBFWNAJC-CHWSQXEVSA-N 1 3 341.456 -0.260 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374277718 1136664409 /nfs/dbraw/zinc/66/44/09/1136664409.db2.gz PZDPSHKBFWNAJC-CHWSQXEVSA-N 1 3 341.456 -0.260 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001374603625 1136740148 /nfs/dbraw/zinc/74/01/48/1136740148.db2.gz IUGVZWKOILCYCE-MGPQQGTHSA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001374603625 1136740150 /nfs/dbraw/zinc/74/01/50/1136740150.db2.gz IUGVZWKOILCYCE-MGPQQGTHSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN1CC[C@@H](NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001374641318 1136769207 /nfs/dbraw/zinc/76/92/07/1136769207.db2.gz ZUIZEBLAEXWECH-CHWSQXEVSA-N 1 3 326.441 -0.984 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001374672844 1136791838 /nfs/dbraw/zinc/79/18/38/1136791838.db2.gz AUHPGFRNGHHGQE-QWHCGFSZSA-N 1 3 337.424 -0.756 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001374685973 1136801793 /nfs/dbraw/zinc/80/17/93/1136801793.db2.gz RQHXMWHQCXGWCF-GJZGRUSLSA-N 1 3 340.468 -0.402 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001374854734 1136854507 /nfs/dbraw/zinc/85/45/07/1136854507.db2.gz TYMVPXNUNCDVRK-VXGBXAGGSA-N 1 3 327.429 -0.460 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001374981031 1136888592 /nfs/dbraw/zinc/88/85/92/1136888592.db2.gz FUBSWJRVRQYGAH-JSGCOSHPSA-N 1 3 341.456 -0.214 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000625285595 376042165 /nfs/dbraw/zinc/04/21/65/376042165.db2.gz DKQAYATVFQEVSU-AWEZNQCLSA-N 1 3 338.456 -0.120 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCO1 ZINC000642768954 376087903 /nfs/dbraw/zinc/08/79/03/376087903.db2.gz UTKHUQMQSSVUBE-YWPYICTPSA-N 1 3 344.481 -0.886 20 0 EBADHO Cc1c(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000558072764 376218195 /nfs/dbraw/zinc/21/81/95/376218195.db2.gz PGQRNXQFABZCBS-UHFFFAOYSA-N 1 3 338.456 -0.703 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000566090503 376346006 /nfs/dbraw/zinc/34/60/06/376346006.db2.gz ILBLCWLEUZETQO-HUUCEWRRSA-N 1 3 341.500 -0.476 20 0 EBADHO C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562949549 377054643 /nfs/dbraw/zinc/05/46/43/377054643.db2.gz NOEGJJSRGTWSHN-CABCVRRESA-N 1 3 342.484 -0.585 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000562958227 377062244 /nfs/dbraw/zinc/06/22/44/377062244.db2.gz LQFOFWSEKBZRJQ-UHFFFAOYSA-N 1 3 329.489 -0.619 20 0 EBADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000635929354 377138060 /nfs/dbraw/zinc/13/80/60/377138060.db2.gz UASXOEFMELFPBT-CVEARBPZSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000635929354 377138065 /nfs/dbraw/zinc/13/80/65/377138065.db2.gz UASXOEFMELFPBT-CVEARBPZSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1=O ZINC000635933484 377139774 /nfs/dbraw/zinc/13/97/74/377139774.db2.gz IIRIKXKEMOHBQD-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000635933484 377139785 /nfs/dbraw/zinc/13/97/85/377139785.db2.gz IIRIKXKEMOHBQD-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000570044761 377201759 /nfs/dbraw/zinc/20/17/59/377201759.db2.gz ZDTAVFHRTVDMSO-MELADBBJSA-N 1 3 328.457 -0.202 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000570050388 377201802 /nfs/dbraw/zinc/20/18/02/377201802.db2.gz CGJCFLOSCVKLPI-UHFFFAOYSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595271232 377987995 /nfs/dbraw/zinc/98/79/95/377987995.db2.gz JLJQTHGBTOMTOD-HUUCEWRRSA-N 1 3 331.420 -0.141 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000595958205 378038034 /nfs/dbraw/zinc/03/80/34/378038034.db2.gz YXHAXXGGJIMEFW-KBPBESRZSA-N 1 3 327.425 -0.259 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CC[C@@H](O)C1 ZINC000637264017 378553403 /nfs/dbraw/zinc/55/34/03/378553403.db2.gz JAOHIJXEHQCWMS-LSDHHAIUSA-N 1 3 329.489 -0.376 20 0 EBADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](CN)C1 ZINC000563611082 379054939 /nfs/dbraw/zinc/05/49/39/379054939.db2.gz TYNGSBPZXXLYQS-AWEZNQCLSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@H]1CN(CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCCO1 ZINC000563593819 379049338 /nfs/dbraw/zinc/04/93/38/379049338.db2.gz ZAQRBFJCHVUHIF-GJZGRUSLSA-N 1 3 327.473 -0.228 20 0 EBADHO CC[NH2+]CCCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000571388196 379167856 /nfs/dbraw/zinc/16/78/56/379167856.db2.gz QBVGVOHIATYLJN-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407754 379174672 /nfs/dbraw/zinc/17/46/72/379174672.db2.gz KKFRTSGKXVYARJ-LSDHHAIUSA-N 1 3 349.483 -0.042 20 0 EBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000642640919 379538974 /nfs/dbraw/zinc/53/89/74/379538974.db2.gz LUBMHOXZIRVDCJ-GOEBONIOSA-N 1 3 348.447 -0.143 20 0 EBADHO Nc1nc(N)nc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000624048714 379502273 /nfs/dbraw/zinc/50/22/73/379502273.db2.gz SOVYGZAZKWCJEG-OLZOCXBDSA-N 1 3 329.408 -0.586 20 0 EBADHO Nc1nc(N)nc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000624048714 379502282 /nfs/dbraw/zinc/50/22/82/379502282.db2.gz SOVYGZAZKWCJEG-OLZOCXBDSA-N 1 3 329.408 -0.586 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000627398448 379580980 /nfs/dbraw/zinc/58/09/80/379580980.db2.gz MXPNLHHVSJEZAS-CQSZACIVSA-N 1 3 327.473 -0.817 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000627411977 379586224 /nfs/dbraw/zinc/58/62/24/379586224.db2.gz ZXZGIPKHMZMNRX-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000627427246 379592038 /nfs/dbraw/zinc/59/20/38/379592038.db2.gz AEIODKAPRIQKTE-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)C[NH2+]1 ZINC000627364302 379565398 /nfs/dbraw/zinc/56/53/98/379565398.db2.gz MBTWGLPDCVJIRU-LSDHHAIUSA-N 1 3 339.484 -0.613 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000627380755 379574852 /nfs/dbraw/zinc/57/48/52/379574852.db2.gz XTKPKKLAAISDCD-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)C[NH2+]1 ZINC000627480023 379629135 /nfs/dbraw/zinc/62/91/35/379629135.db2.gz KCTOQDPCYJKQGB-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486339 379634807 /nfs/dbraw/zinc/63/48/07/379634807.db2.gz YKUDMAGHDSPQLG-CYBMUJFWSA-N 1 3 328.457 -0.343 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000627463816 379612513 /nfs/dbraw/zinc/61/25/13/379612513.db2.gz JBKINRQLBHXFLJ-ZDUSSCGKSA-N 1 3 328.457 -0.473 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000631975905 379796411 /nfs/dbraw/zinc/79/64/11/379796411.db2.gz MKDOOVDUWBEXHK-OAHLLOKOSA-N 1 3 332.514 -0.020 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000631975905 379796414 /nfs/dbraw/zinc/79/64/14/379796414.db2.gz MKDOOVDUWBEXHK-OAHLLOKOSA-N 1 3 332.514 -0.020 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970653 379777748 /nfs/dbraw/zinc/77/77/48/379777748.db2.gz ZFFNXIVSKNXCKS-STQMWFEESA-N 1 3 327.454 -0.204 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000631931795 379785449 /nfs/dbraw/zinc/78/54/49/379785449.db2.gz NTZQGQFHTOMTQW-CYBMUJFWSA-N 1 3 334.486 -0.413 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642329777 379811326 /nfs/dbraw/zinc/81/13/26/379811326.db2.gz OKYDEQKRJVOIDA-QPSCCSFWSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C(=O)NC[C@@H]1COCCN1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190187 379828195 /nfs/dbraw/zinc/82/81/95/379828195.db2.gz YCUKNGHDBUFCBI-ZBFHGGJFSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@@H]1COCCN1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627190187 379828202 /nfs/dbraw/zinc/82/82/02/379828202.db2.gz YCUKNGHDBUFCBI-ZBFHGGJFSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@@H]1COCCN1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627190187 379828206 /nfs/dbraw/zinc/82/82/06/379828206.db2.gz YCUKNGHDBUFCBI-ZBFHGGJFSA-N 1 3 339.484 -0.215 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633088534 379931894 /nfs/dbraw/zinc/93/18/94/379931894.db2.gz HGXYXHRFNQOIMY-CQSZACIVSA-N 1 3 328.457 -0.247 20 0 EBADHO C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000354737233 380089930 /nfs/dbraw/zinc/08/99/30/380089930.db2.gz IIXZAVCNIRBHDU-CABCVRRESA-N 1 3 339.484 -0.756 20 0 EBADHO CCN(CC)S(=O)(=O)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000542444630 380044608 /nfs/dbraw/zinc/04/46/08/380044608.db2.gz HKQRCNAXURMEER-UHFFFAOYSA-N 1 3 336.502 -0.390 20 0 EBADHO CCc1nncn1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000547382915 380133408 /nfs/dbraw/zinc/13/34/08/380133408.db2.gz VLGNYTVMASDQON-UHFFFAOYSA-N 1 3 325.461 -0.025 20 0 EBADHO COCCOCCN(C)CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226107 380293487 /nfs/dbraw/zinc/29/34/87/380293487.db2.gz CYGTYIHBOMFUQY-INIZCTEOSA-N 1 3 342.484 -0.523 20 0 EBADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000566207829 380454077 /nfs/dbraw/zinc/45/40/77/380454077.db2.gz DBWPCLIQZTWMRF-UHFFFAOYSA-N 1 3 335.452 -0.042 20 0 EBADHO C[C@@H]1CN(C[C@H](O)CNCCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC000566232981 380455803 /nfs/dbraw/zinc/45/58/03/380455803.db2.gz GBWXYQYBUHVNQM-HLLBOEOZSA-N 1 3 329.485 -0.107 20 0 EBADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565240576 380409784 /nfs/dbraw/zinc/40/97/84/380409784.db2.gz YQHNLYHWUWOAPR-SNPRPXQTSA-N 1 3 341.415 -0.192 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340506859 380522286 /nfs/dbraw/zinc/52/22/86/380522286.db2.gz LOTCMDAMJMEKMS-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340506859 380522294 /nfs/dbraw/zinc/52/22/94/380522294.db2.gz LOTCMDAMJMEKMS-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109015 380575205 /nfs/dbraw/zinc/57/52/05/380575205.db2.gz WKJCODWJQGRFOU-IIDMSEBBSA-N 1 3 328.416 -0.312 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341154165 380672317 /nfs/dbraw/zinc/67/23/17/380672317.db2.gz DQOZATOGIIOTEU-ZIAGYGMSSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341154165 380672323 /nfs/dbraw/zinc/67/23/23/380672323.db2.gz DQOZATOGIIOTEU-ZIAGYGMSSA-N 1 3 325.457 -0.033 20 0 EBADHO O=C(CCOC1CNC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000573916207 380692564 /nfs/dbraw/zinc/69/25/64/380692564.db2.gz LUOPATQENNBQBN-HIFRSBDPSA-N 1 3 338.452 -0.528 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004069 380754162 /nfs/dbraw/zinc/75/41/62/380754162.db2.gz MAMYOGLYJGYFGQ-FXUDXRNXSA-N 1 3 343.431 -0.305 20 0 EBADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CNCCC3(F)F)C[C@H]2[NH3+])cn1 ZINC000574512425 380714568 /nfs/dbraw/zinc/71/45/68/380714568.db2.gz QUJDGFVJXVFEFF-TUAOUCFPSA-N 1 3 328.367 -0.147 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425357 380728334 /nfs/dbraw/zinc/72/83/34/380728334.db2.gz NANVOIRDMYMLKI-ZIAGYGMSSA-N 1 3 326.441 -0.399 20 0 EBADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000575355459 380737426 /nfs/dbraw/zinc/73/74/26/380737426.db2.gz IHYCDIOFTNGHAV-XHSDSOJGSA-N 1 3 339.484 -0.215 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000578370785 380927686 /nfs/dbraw/zinc/92/76/86/380927686.db2.gz WURRRZGNJPELBX-UHFFFAOYSA-N 1 3 328.457 -0.342 20 0 EBADHO C[C@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCN1 ZINC000417435800 380890840 /nfs/dbraw/zinc/89/08/40/380890840.db2.gz ZHAZSDUMZCIRBS-UONOGXRCSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1 ZINC000417435800 380890847 /nfs/dbraw/zinc/89/08/47/380890847.db2.gz ZHAZSDUMZCIRBS-UONOGXRCSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1 ZINC000417435800 380890855 /nfs/dbraw/zinc/89/08/55/380890855.db2.gz ZHAZSDUMZCIRBS-UONOGXRCSA-N 1 3 325.457 -0.068 20 0 EBADHO CCN(CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000417482921 380916542 /nfs/dbraw/zinc/91/65/42/380916542.db2.gz IZNAAKOOFRKULK-CYBMUJFWSA-N 1 3 325.457 -0.033 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000581193651 381061272 /nfs/dbraw/zinc/06/12/72/381061272.db2.gz PCMIFQHCPYQSGR-ZBFHGGJFSA-N 1 3 339.484 -0.676 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H](CN)C1 ZINC000580768543 381032730 /nfs/dbraw/zinc/03/27/30/381032730.db2.gz RTPTYSRGAGBXPR-QLFBSQMISA-N 1 3 337.468 -0.970 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@@H](CN)C1 ZINC000580768543 381032748 /nfs/dbraw/zinc/03/27/48/381032748.db2.gz RTPTYSRGAGBXPR-QLFBSQMISA-N 1 3 337.468 -0.970 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000580955833 381044663 /nfs/dbraw/zinc/04/46/63/381044663.db2.gz QXSMDQTXMHLYPD-UHFFFAOYSA-N 1 3 340.468 -0.199 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](CN)C1 ZINC000584829524 381215095 /nfs/dbraw/zinc/21/50/95/381215095.db2.gz TUBRXIQXJBAVMK-ZDUSSCGKSA-N 1 3 325.457 -0.922 20 0 EBADHO O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757154 381261693 /nfs/dbraw/zinc/26/16/93/381261693.db2.gz DJWRYHHSRWMPEL-BBWFWOEESA-N 1 3 348.447 -0.091 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418756466 381261737 /nfs/dbraw/zinc/26/17/37/381261737.db2.gz GZUVVKBIZILHBQ-GJZGRUSLSA-N 1 3 327.473 -0.358 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000633141409 381242342 /nfs/dbraw/zinc/24/23/42/381242342.db2.gz JZTPUUJOTRQKPT-CHWSQXEVSA-N 1 3 326.441 -0.496 20 0 EBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418883586 381330266 /nfs/dbraw/zinc/33/02/66/381330266.db2.gz VEZOCLFUCKMXMZ-RRFJBIMHSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418883125 381331155 /nfs/dbraw/zinc/33/11/55/381331155.db2.gz ZUTHBDGQJZMYOM-HZPDHXFCSA-N 1 3 348.447 -0.538 20 0 EBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N(CCN)CCO)([NH+](C)C)C1 ZINC000418913594 381346398 /nfs/dbraw/zinc/34/63/98/381346398.db2.gz GMBXZJOOVIIQTJ-CJNGLKHVSA-N 1 3 328.457 -0.607 20 0 EBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419289503 381411123 /nfs/dbraw/zinc/41/11/23/381411123.db2.gz TZNCLAINCMIPFZ-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)CC(C)C ZINC000419127999 381389145 /nfs/dbraw/zinc/38/91/45/381389145.db2.gz UNFAPLLLSBMHRV-CABCVRRESA-N 1 3 342.484 -0.036 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419164139 381391281 /nfs/dbraw/zinc/39/12/81/381391281.db2.gz LKBQADIDGIJDLO-INIZCTEOSA-N 1 3 348.447 -0.271 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)[C@H](C[NH3+])C1 ZINC000419419948 381434073 /nfs/dbraw/zinc/43/40/73/381434073.db2.gz JKRAVPDVVHIJBE-SOUVJXGZSA-N 1 3 340.468 -0.058 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419444652 381439215 /nfs/dbraw/zinc/43/92/15/381439215.db2.gz DFGCMBKQWKERFK-KGLIPLIRSA-N 1 3 328.457 -0.295 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419681497 381483153 /nfs/dbraw/zinc/48/31/53/381483153.db2.gz RXDJTFJEKJAHHN-OLZOCXBDSA-N 1 3 344.456 -0.700 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419681497 381483160 /nfs/dbraw/zinc/48/31/60/381483160.db2.gz RXDJTFJEKJAHHN-OLZOCXBDSA-N 1 3 344.456 -0.700 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419595369 381461617 /nfs/dbraw/zinc/46/16/17/381461617.db2.gz WIYMMNWSLFLOAT-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419672101 381468739 /nfs/dbraw/zinc/46/87/39/381468739.db2.gz GFPOIYKWSVDUAT-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419859391 381510115 /nfs/dbraw/zinc/51/01/15/381510115.db2.gz YXASCPLXROYNFB-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419891820 381519739 /nfs/dbraw/zinc/51/97/39/381519739.db2.gz NQWDXKQBDOEMML-KGLIPLIRSA-N 1 3 328.457 -0.473 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419891150 381519908 /nfs/dbraw/zinc/51/99/08/381519908.db2.gz UCICUOHVLAHIKU-HNNXBMFYSA-N 1 3 337.468 -0.905 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419781558 381495188 /nfs/dbraw/zinc/49/51/88/381495188.db2.gz SRBBNAVEGWZTIY-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000420145401 381544453 /nfs/dbraw/zinc/54/44/53/381544453.db2.gz OVSYZRYWXUVYSI-KBPBESRZSA-N 1 3 339.484 -0.663 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420181789 381561804 /nfs/dbraw/zinc/56/18/04/381561804.db2.gz INLLOPSJUNLUIJ-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000420194288 381566265 /nfs/dbraw/zinc/56/62/65/381566265.db2.gz JPUOQNIJYHWRIX-AWEZNQCLSA-N 1 3 328.457 -0.332 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420192453 381566853 /nfs/dbraw/zinc/56/68/53/381566853.db2.gz BIALDHGYLXUDQQ-CABCVRRESA-N 1 3 338.452 -0.432 20 0 EBADHO Cn1c2ncn(CCN[C@H](C[NH3+])C3CCCCC3)c2c(=O)n(C)c1=O ZINC000420378091 381584319 /nfs/dbraw/zinc/58/43/19/381584319.db2.gz WQOALPZPOGBJKK-CYBMUJFWSA-N 1 3 348.451 -0.069 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000571777531 381620591 /nfs/dbraw/zinc/62/05/91/381620591.db2.gz VSJSIHOTKRSSDD-OAHLLOKOSA-N 1 3 337.468 -0.064 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351520588 381635020 /nfs/dbraw/zinc/63/50/20/381635020.db2.gz HGJVQPSUBYZMTC-AWEZNQCLSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000572368375 381679618 /nfs/dbraw/zinc/67/96/18/381679618.db2.gz NKRXTJMONVVKHJ-HNNXBMFYSA-N 1 3 342.484 -0.034 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000572434882 381724890 /nfs/dbraw/zinc/72/48/90/381724890.db2.gz VFZGGTKFTGEPMR-AWEZNQCLSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000627395087 381802182 /nfs/dbraw/zinc/80/21/82/381802182.db2.gz ZQOVKUOKFFBBNP-ZDUSSCGKSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000643498774 381905419 /nfs/dbraw/zinc/90/54/19/381905419.db2.gz TWIIUUOCZDSWCZ-ZNMIVQPWSA-N 1 3 338.452 -0.352 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643502610 381911342 /nfs/dbraw/zinc/91/13/42/381911342.db2.gz LKXSJLMVGAIILV-AWEZNQCLSA-N 1 3 340.468 -0.105 20 0 EBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333468135 381924003 /nfs/dbraw/zinc/92/40/03/381924003.db2.gz DASRQGOJKNFXBZ-JKSUJKDBSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333468135 381924007 /nfs/dbraw/zinc/92/40/07/381924007.db2.gz DASRQGOJKNFXBZ-JKSUJKDBSA-N 1 3 339.484 -0.214 20 0 EBADHO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000632475625 382007063 /nfs/dbraw/zinc/00/70/63/382007063.db2.gz FNTABHBLLHOKIA-HNNXBMFYSA-N 1 3 332.514 -0.020 20 0 EBADHO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000632475625 382007070 /nfs/dbraw/zinc/00/70/70/382007070.db2.gz FNTABHBLLHOKIA-HNNXBMFYSA-N 1 3 332.514 -0.020 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ncn(C)c1=O ZINC000352386664 381976868 /nfs/dbraw/zinc/97/68/68/381976868.db2.gz DEBHEZDLHKGYBY-CQSZACIVSA-N 1 3 338.456 -0.544 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ncn(C)c1=O ZINC000352386664 381976873 /nfs/dbraw/zinc/97/68/73/381976873.db2.gz DEBHEZDLHKGYBY-CQSZACIVSA-N 1 3 338.456 -0.544 20 0 EBADHO CCN1CCC(NC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000639768563 382122538 /nfs/dbraw/zinc/12/25/38/382122538.db2.gz ZTKCTTLEQKDCRZ-QGZVFWFLSA-N 1 3 326.485 -0.025 20 0 EBADHO O[C@@H](CN[C@H]1CCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562681 382225159 /nfs/dbraw/zinc/22/51/59/382225159.db2.gz CGLXLRDQTHBSCC-IRXDYDNUSA-N 1 3 326.485 -0.561 20 0 EBADHO O[C@@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)CN1CCCC1 ZINC000629562681 382225169 /nfs/dbraw/zinc/22/51/69/382225169.db2.gz CGLXLRDQTHBSCC-IRXDYDNUSA-N 1 3 326.485 -0.561 20 0 EBADHO O[C@H](CN[C@@H]1CCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562679 382225522 /nfs/dbraw/zinc/22/55/22/382225522.db2.gz CGLXLRDQTHBSCC-IAGOWNOFSA-N 1 3 326.485 -0.561 20 0 EBADHO O[C@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)CN1CCCC1 ZINC000629562679 382225525 /nfs/dbraw/zinc/22/55/25/382225525.db2.gz CGLXLRDQTHBSCC-IAGOWNOFSA-N 1 3 326.485 -0.561 20 0 EBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000195519453 154166029 /nfs/dbraw/zinc/16/60/29/154166029.db2.gz QSKYKTPNUBBWCA-MRXNPFEDSA-N 1 3 342.484 -0.931 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000237170882 154171661 /nfs/dbraw/zinc/17/16/61/154171661.db2.gz CELPZCWFRXTOPF-INIZCTEOSA-N 1 3 336.440 -0.111 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000340017411 155797363 /nfs/dbraw/zinc/79/73/63/155797363.db2.gz XMZYASUZWOXVAU-STQMWFEESA-N 1 3 337.472 -0.354 20 0 EBADHO CCN1CCN(CCCNC(=O)CN2CCN(CC)CC2)CC1 ZINC000343627906 156150243 /nfs/dbraw/zinc/15/02/43/156150243.db2.gz VZGSVCWTPCLWDB-UHFFFAOYSA-N 1 3 325.501 -0.232 20 0 EBADHO CCN1CCN(CC(=O)NCCCN2CC[NH+](CC)CC2)CC1 ZINC000343627906 156150247 /nfs/dbraw/zinc/15/02/47/156150247.db2.gz VZGSVCWTPCLWDB-UHFFFAOYSA-N 1 3 325.501 -0.232 20 0 EBADHO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343916136 156185964 /nfs/dbraw/zinc/18/59/64/156185964.db2.gz AZCMYAUAAARBKV-FGTMMUONSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343916136 156185968 /nfs/dbraw/zinc/18/59/68/156185968.db2.gz AZCMYAUAAARBKV-FGTMMUONSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343916136 156185971 /nfs/dbraw/zinc/18/59/71/156185971.db2.gz AZCMYAUAAARBKV-FGTMMUONSA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@@H]1N(C)C ZINC000344632164 156249088 /nfs/dbraw/zinc/24/90/88/156249088.db2.gz QURUFSNGDHWNMZ-HIFRSBDPSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN1CCN(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000346160523 156386998 /nfs/dbraw/zinc/38/69/98/156386998.db2.gz WUBSYZPHEJEMOR-MRXNPFEDSA-N 1 3 325.501 -0.376 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000346238588 156391400 /nfs/dbraw/zinc/39/14/00/156391400.db2.gz NXBBBULQOKEFLT-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000357585461 157158466 /nfs/dbraw/zinc/15/84/66/157158466.db2.gz XTQVKAKGOYNUHB-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000357585461 157158469 /nfs/dbraw/zinc/15/84/69/157158469.db2.gz XTQVKAKGOYNUHB-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000357904739 157184903 /nfs/dbraw/zinc/18/49/03/157184903.db2.gz HHCJYCIEOCEJQW-HUUCEWRRSA-N 1 3 334.420 -0.683 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000358391883 157240985 /nfs/dbraw/zinc/24/09/85/157240985.db2.gz IWCKHJSMJUSWHL-GOSISDBHSA-N 1 3 348.447 -0.088 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000653180312 419045769 /nfs/dbraw/zinc/04/57/69/419045769.db2.gz IUUZRDANQCHKGL-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cn1 ZINC000655448918 419054190 /nfs/dbraw/zinc/05/41/90/419054190.db2.gz ABMPNXOVVXNTDW-YOEHRIQHSA-N 1 3 348.451 -0.111 20 0 EBADHO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569759 419168807 /nfs/dbraw/zinc/16/88/07/419168807.db2.gz UNWUUZPFORBIBD-WBVHZDCISA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569759 419168808 /nfs/dbraw/zinc/16/88/08/419168808.db2.gz UNWUUZPFORBIBD-WBVHZDCISA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569759 419168812 /nfs/dbraw/zinc/16/88/12/419168812.db2.gz UNWUUZPFORBIBD-WBVHZDCISA-N 1 3 326.485 -0.562 20 0 EBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652623306 419241335 /nfs/dbraw/zinc/24/13/35/419241335.db2.gz FWVXGUPSLZBGSC-AAEUAGOBSA-N 1 3 340.403 -0.458 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000652624080 419241879 /nfs/dbraw/zinc/24/18/79/419241879.db2.gz ZAJINQQNRXVXJN-OKILXGFUSA-N 1 3 348.451 -0.159 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652729132 419323276 /nfs/dbraw/zinc/32/32/76/419323276.db2.gz SSLKSXMEUSQBNN-UHFFFAOYSA-N 1 3 341.500 -0.474 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000652730874 419329258 /nfs/dbraw/zinc/32/92/58/419329258.db2.gz SQCDUQAURWVXGJ-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730436 419329269 /nfs/dbraw/zinc/32/92/69/419329269.db2.gz ZLQTWMUQDBXFPA-LJISPDSOSA-N 1 3 340.468 -0.250 20 0 EBADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000152363814 545934861 /nfs/dbraw/zinc/93/48/61/545934861.db2.gz KFQJIHXQTIYOBI-GJZGRUSLSA-N 1 3 329.489 -0.160 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340799230 419382384 /nfs/dbraw/zinc/38/23/84/419382384.db2.gz NAEJZWONTCZKKR-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340799230 419382387 /nfs/dbraw/zinc/38/23/87/419382387.db2.gz NAEJZWONTCZKKR-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C ZINC000525882510 419470659 /nfs/dbraw/zinc/47/06/59/419470659.db2.gz CBWQYGMVWSBEEV-UHFFFAOYSA-N 1 3 340.428 -0.681 20 0 EBADHO CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000358391896 419673567 /nfs/dbraw/zinc/67/35/67/419673567.db2.gz IWCKHJSMJUSWHL-SFHVURJKSA-N 1 3 348.447 -0.088 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659736203 419802092 /nfs/dbraw/zinc/80/20/92/419802092.db2.gz LRGAJAVBHYYHTQ-ZFWWWQNUSA-N 1 3 338.452 -0.304 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659736198 419802746 /nfs/dbraw/zinc/80/27/46/419802746.db2.gz LRGAJAVBHYYHTQ-UKRRQHHQSA-N 1 3 338.452 -0.304 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419878546 419814555 /nfs/dbraw/zinc/81/45/55/419814555.db2.gz JKWXWHCKFJFEGU-OAHLLOKOSA-N 1 3 337.468 -0.905 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419931111 419824676 /nfs/dbraw/zinc/82/46/76/419824676.db2.gz CJJZPFBUULTSKH-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000423205600 419921935 /nfs/dbraw/zinc/92/19/35/419921935.db2.gz FEEMWHRTDPKLEA-QLFBSQMISA-N 1 3 340.468 -0.249 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000423214533 419925795 /nfs/dbraw/zinc/92/57/95/419925795.db2.gz PBSUDXVWRRMMRU-MGPQQGTHSA-N 1 3 326.441 -0.639 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000514717233 419971323 /nfs/dbraw/zinc/97/13/23/419971323.db2.gz NJXJYMFFFVZBQL-HNNXBMFYSA-N 1 3 340.468 -0.280 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000514999827 419975962 /nfs/dbraw/zinc/97/59/62/419975962.db2.gz TXBBBIGKWXQMRH-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516492535 420512699 /nfs/dbraw/zinc/51/26/99/420512699.db2.gz MROWEUNYAWYLLY-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnnn1CC1CC1 ZINC000516399995 420513440 /nfs/dbraw/zinc/51/34/40/420513440.db2.gz MSSDPLCCIXJKSH-UHFFFAOYSA-N 1 3 338.460 -0.282 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167213910 420527885 /nfs/dbraw/zinc/52/78/85/420527885.db2.gz NXUALJUOZZXIOA-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002948 420530925 /nfs/dbraw/zinc/53/09/25/420530925.db2.gz KXTZDQZWRYJFFJ-CABCVRRESA-N 1 3 337.468 -0.907 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000509347476 420676919 /nfs/dbraw/zinc/67/69/19/420676919.db2.gz ZABKJKABXHSNGA-MCIONIFRSA-N 1 3 326.441 -0.448 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666719610 420689582 /nfs/dbraw/zinc/68/95/82/420689582.db2.gz LUFVTUKTJZGPFT-UHFFFAOYSA-N 1 3 342.469 -0.123 20 0 EBADHO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237923833 420738320 /nfs/dbraw/zinc/73/83/20/420738320.db2.gz ZBAITUZSHJKMPF-OAHLLOKOSA-N 1 3 338.452 -0.478 20 0 EBADHO Cn1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000530248678 420782147 /nfs/dbraw/zinc/78/21/47/420782147.db2.gz OCUPMHWBYAUSOH-HNNXBMFYSA-N 1 3 336.436 -0.326 20 0 EBADHO NC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(F)(F)F ZINC000655913623 420859715 /nfs/dbraw/zinc/85/97/15/420859715.db2.gz BQYOJDXZJJYTQO-NXEZZACHSA-N 1 3 339.362 -0.237 20 0 EBADHO NC[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(F)(F)F ZINC000655913623 420859718 /nfs/dbraw/zinc/85/97/18/420859718.db2.gz BQYOJDXZJJYTQO-NXEZZACHSA-N 1 3 339.362 -0.237 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656069955 420872620 /nfs/dbraw/zinc/87/26/20/420872620.db2.gz UWGGTRDTFIVOAF-GASCZTMLSA-N 1 3 341.500 -0.605 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000659688658 421015435 /nfs/dbraw/zinc/01/54/35/421015435.db2.gz FEHOOWMMKAWTLY-CQSZACIVSA-N 1 3 341.500 -0.382 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659708537 421017897 /nfs/dbraw/zinc/01/78/97/421017897.db2.gz VKPUGICWHUTBSD-SNVBAGLBSA-N 1 3 338.412 -0.896 20 0 EBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659719558 421020786 /nfs/dbraw/zinc/02/07/86/421020786.db2.gz WNBHTNOVMTWIJI-CABCVRRESA-N 1 3 340.468 -0.155 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659725352 421022777 /nfs/dbraw/zinc/02/27/77/421022777.db2.gz ZSAYKFMLJDXINN-VHDGCEQUSA-N 1 3 338.452 -0.530 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731982 421024802 /nfs/dbraw/zinc/02/48/02/421024802.db2.gz HTOLEDXRXNELKV-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H](CN1CCN(C)CC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664026597 421145587 /nfs/dbraw/zinc/14/55/87/421145587.db2.gz WWBRJOCATOLPSH-INIZCTEOSA-N 1 3 342.532 -0.195 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664473637 421157897 /nfs/dbraw/zinc/15/78/97/421157897.db2.gz TZYWQXPVSCTTAI-VGWMRTNUSA-N 1 3 340.468 -0.320 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)n1 ZINC000355423869 421192483 /nfs/dbraw/zinc/19/24/83/421192483.db2.gz MPOPETSTELIDIX-UHFFFAOYSA-N 1 3 338.456 0.087 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417885224 264819094 /nfs/dbraw/zinc/81/90/94/264819094.db2.gz YAOIXASPUVOWDK-NFAWXSAZSA-N 1 3 337.468 -0.034 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418589377 264830836 /nfs/dbraw/zinc/83/08/36/264830836.db2.gz AMMBJBYYQQGGQU-ZIAGYGMSSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419401298 264865242 /nfs/dbraw/zinc/86/52/42/264865242.db2.gz APBHHIXKQXPQOJ-ZIAGYGMSSA-N 1 3 328.457 -0.750 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423517611 265008913 /nfs/dbraw/zinc/00/89/13/265008913.db2.gz YHJKCXWLXDIOIT-OAHLLOKOSA-N 1 3 337.468 -0.955 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2CN)C1 ZINC000423680759 265031364 /nfs/dbraw/zinc/03/13/64/265031364.db2.gz UUNLMYMKFPEZQG-RBSFLKMASA-N 1 3 340.468 -0.106 20 0 EBADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000424458618 265062690 /nfs/dbraw/zinc/06/26/90/265062690.db2.gz UKGCGNTYMFFWJL-UHFFFAOYSA-N 1 3 334.420 -0.035 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424553045 265076841 /nfs/dbraw/zinc/07/68/41/265076841.db2.gz QVAKSBLNHANJRP-FPMFFAJLSA-N 1 3 336.440 -0.870 20 0 EBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000430714148 265152537 /nfs/dbraw/zinc/15/25/37/265152537.db2.gz MUVROYUYIYSBEU-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430963234 265157970 /nfs/dbraw/zinc/15/79/70/265157970.db2.gz SXMJWIXSPRHMPG-QWHCGFSZSA-N 1 3 348.451 -0.117 20 0 EBADHO CN1CCN(C(=O)CCNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433155322 265186260 /nfs/dbraw/zinc/18/62/60/265186260.db2.gz DJPLKEBKRPDTCZ-UHFFFAOYSA-N 1 3 339.484 -0.530 20 0 EBADHO O=C(NC[C@H]1CNCCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529341677 265702137 /nfs/dbraw/zinc/70/21/37/265702137.db2.gz KCJOLEPGTTUOMB-LSDHHAIUSA-N 1 3 326.441 -0.225 20 0 EBADHO C[C@@H](CN)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420031328 272818257 /nfs/dbraw/zinc/81/82/57/272818257.db2.gz RRIBFJRNMTUREJ-KKUMJFAQSA-N 1 3 339.484 -0.533 20 0 EBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000339998899 280239123 /nfs/dbraw/zinc/23/91/23/280239123.db2.gz HVSVRVSPWGDSOD-HNNXBMFYSA-N 1 3 341.500 -0.605 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000668302268 545655444 /nfs/dbraw/zinc/65/54/44/545655444.db2.gz CMXKRPRBXHNZKW-UHFFFAOYSA-N 1 3 325.461 -0.078 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668329539 545660181 /nfs/dbraw/zinc/66/01/81/545660181.db2.gz ZSYXISHPECEVPI-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668328992 545660518 /nfs/dbraw/zinc/66/05/18/545660518.db2.gz LTHVOUUWHJEURZ-HNNXBMFYSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668328992 545660519 /nfs/dbraw/zinc/66/05/19/545660519.db2.gz LTHVOUUWHJEURZ-HNNXBMFYSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668672403 545733582 /nfs/dbraw/zinc/73/35/82/545733582.db2.gz PHITVWIKOMRZCF-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126992785 545739655 /nfs/dbraw/zinc/73/96/55/545739655.db2.gz HXBBUZSTUWYSTH-AWEZNQCLSA-N 1 3 336.440 -0.016 20 0 EBADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CN(C)CCO1 ZINC000152363981 545934893 /nfs/dbraw/zinc/93/48/93/545934893.db2.gz KFQJIHXQTIYOBI-LSDHHAIUSA-N 1 3 329.489 -0.160 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000676095939 546194876 /nfs/dbraw/zinc/19/48/76/546194876.db2.gz XPWCPKSORFVPPB-CYBMUJFWSA-N 1 3 336.440 -0.207 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765844 582587150 /nfs/dbraw/zinc/58/71/50/582587150.db2.gz HFSPETHKVYOVDS-CJNGLKHVSA-N 1 3 326.441 -0.489 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000892819877 582588069 /nfs/dbraw/zinc/58/80/69/582588069.db2.gz TUGFXBKAIPMUGO-CVEARBPZSA-N 1 3 339.484 -0.262 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000892819877 582588071 /nfs/dbraw/zinc/58/80/71/582588071.db2.gz TUGFXBKAIPMUGO-CVEARBPZSA-N 1 3 339.484 -0.262 20 0 EBADHO C[NH+](C)CCNC(=S)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728450958 582673588 /nfs/dbraw/zinc/67/35/88/582673588.db2.gz KTAGKMOBYFNUMS-UHFFFAOYSA-N 1 3 327.498 -0.338 20 0 EBADHO C[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000900693412 582779493 /nfs/dbraw/zinc/77/94/93/582779493.db2.gz RPWHABJRXOJIMQ-WBVHZDCISA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000900693412 582779495 /nfs/dbraw/zinc/77/94/95/582779495.db2.gz RPWHABJRXOJIMQ-WBVHZDCISA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H]1CC[NH3+] ZINC000903737518 582816006 /nfs/dbraw/zinc/81/60/06/582816006.db2.gz OMOOWCPMBBMWRD-HUUCEWRRSA-N 1 3 341.500 -0.619 20 0 EBADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000838301519 583053649 /nfs/dbraw/zinc/05/36/49/583053649.db2.gz FCRAQDKWBBFHNP-ARFHVFGLSA-N 1 3 340.468 -0.004 20 0 EBADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000838301519 583053651 /nfs/dbraw/zinc/05/36/51/583053651.db2.gz FCRAQDKWBBFHNP-ARFHVFGLSA-N 1 3 340.468 -0.004 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@]3(CC[N@H+](C)C3)C1)C2=O ZINC000793764341 583570109 /nfs/dbraw/zinc/57/01/09/583570109.db2.gz GVADMBBDCJFFKP-MRXNPFEDSA-N 1 3 335.452 -0.012 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@]3(CC[N@@H+](C)C3)C1)C2=O ZINC000793764341 583570111 /nfs/dbraw/zinc/57/01/11/583570111.db2.gz GVADMBBDCJFFKP-MRXNPFEDSA-N 1 3 335.452 -0.012 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000803203242 583628176 /nfs/dbraw/zinc/62/81/76/583628176.db2.gz BWLCNVADSWDGTL-HZSPNIEDSA-N 1 3 326.441 -0.578 20 0 EBADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804031474 583636059 /nfs/dbraw/zinc/63/60/59/583636059.db2.gz HBHNJFCTIRANQH-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804031474 583636061 /nfs/dbraw/zinc/63/60/61/583636061.db2.gz HBHNJFCTIRANQH-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804051657 583637058 /nfs/dbraw/zinc/63/70/58/583637058.db2.gz ASLZOAILRSKUBC-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059233 583640902 /nfs/dbraw/zinc/64/09/02/583640902.db2.gz IFMIRZRNABDKMV-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059233 583640903 /nfs/dbraw/zinc/64/09/03/583640903.db2.gz IFMIRZRNABDKMV-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000827936265 583929610 /nfs/dbraw/zinc/92/96/10/583929610.db2.gz IDJQGKZQWRQVKO-HZSPNIEDSA-N 1 3 334.424 -0.204 20 0 EBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842163910 584058548 /nfs/dbraw/zinc/05/85/48/584058548.db2.gz ASVYMTSIBUYBFU-RRFJBIMHSA-N 1 3 340.468 -0.202 20 0 EBADHO CCCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000842165365 584058855 /nfs/dbraw/zinc/05/88/55/584058855.db2.gz VHRSCBZLOFXWMT-QLFBSQMISA-N 1 3 338.452 -0.434 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844184419 584090700 /nfs/dbraw/zinc/09/07/00/584090700.db2.gz MQKIZUKKIRDLJX-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000846322366 584124655 /nfs/dbraw/zinc/12/46/55/584124655.db2.gz VBAHJBVFEBTERR-KRWDZBQOSA-N 1 3 348.451 -0.015 20 0 EBADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073802 584165832 /nfs/dbraw/zinc/16/58/32/584165832.db2.gz DXOZPZHDFNZGLL-LSDHHAIUSA-N 1 3 345.451 -0.014 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCCCC1 ZINC000861729074 584335623 /nfs/dbraw/zinc/33/56/23/584335623.db2.gz OMXFKFNNGIEJSK-ZDUSSCGKSA-N 1 3 326.441 -0.399 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)CC(O)CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000862725959 584356477 /nfs/dbraw/zinc/35/64/77/584356477.db2.gz HRWFWLDCXHMXSE-ZIAGYGMSSA-N 1 3 340.468 -0.452 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)CC(O)CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000862725959 584356479 /nfs/dbraw/zinc/35/64/79/584356479.db2.gz HRWFWLDCXHMXSE-ZIAGYGMSSA-N 1 3 340.468 -0.452 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867442568 584408019 /nfs/dbraw/zinc/40/80/19/584408019.db2.gz IUXYLSPJRINMSZ-LSDHHAIUSA-N 1 3 340.468 -0.424 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867442568 584408020 /nfs/dbraw/zinc/40/80/20/584408020.db2.gz IUXYLSPJRINMSZ-LSDHHAIUSA-N 1 3 340.468 -0.424 20 0 EBADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004343 584451144 /nfs/dbraw/zinc/45/11/44/584451144.db2.gz KEAJMUFNDHMYAS-FQUUOJAGSA-N 1 3 338.408 -0.852 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000872855199 584468222 /nfs/dbraw/zinc/46/82/22/584468222.db2.gz JPCDGSJIUIMAQK-AWEZNQCLSA-N 1 3 342.484 -0.442 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752778 584522051 /nfs/dbraw/zinc/52/20/51/584522051.db2.gz YNBLSYNUPYJGEL-UKRRQHHQSA-N 1 3 328.432 -0.053 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752776 584522086 /nfs/dbraw/zinc/52/20/86/584522086.db2.gz YNBLSYNUPYJGEL-DZGCQCFKSA-N 1 3 328.432 -0.053 20 0 EBADHO OC[C@H]1CN(C[C@H](C[N@@H+]2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702590 584543851 /nfs/dbraw/zinc/54/38/51/584543851.db2.gz ICSLNYMOOLSNJY-AJNQNCSDSA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@H]1CN(C[C@H](C[N@H+]2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702590 584543853 /nfs/dbraw/zinc/54/38/53/584543853.db2.gz ICSLNYMOOLSNJY-AJNQNCSDSA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@H]1C[N@H+](C[C@H](CN2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702590 584543856 /nfs/dbraw/zinc/54/38/56/584543856.db2.gz ICSLNYMOOLSNJY-AJNQNCSDSA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@H]1C[N@@H+](C[C@H](CN2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702590 584543859 /nfs/dbraw/zinc/54/38/59/584543859.db2.gz ICSLNYMOOLSNJY-AJNQNCSDSA-N 1 3 342.480 -0.637 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1c1ccncc1 ZINC000883641347 584604015 /nfs/dbraw/zinc/60/40/15/584604015.db2.gz MQFYVOZBKLNWEC-FMKPAKJESA-N 1 3 343.431 -0.061 20 0 EBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000884507946 584625021 /nfs/dbraw/zinc/62/50/21/584625021.db2.gz QFTGOZULBKKSSW-STQMWFEESA-N 1 3 325.457 -0.923 20 0 EBADHO CN(C)CCN1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884517460 584625583 /nfs/dbraw/zinc/62/55/83/584625583.db2.gz OHOANJYRSRBLPM-UHFFFAOYSA-N 1 3 327.473 -0.628 20 0 EBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000884560145 584627721 /nfs/dbraw/zinc/62/77/21/584627721.db2.gz OILIPVQMGOISRT-KFWWJZLASA-N 1 3 338.452 -0.434 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884587197 584628923 /nfs/dbraw/zinc/62/89/23/584628923.db2.gz CHOUZJBLHJMOCI-QDMKHBRRSA-N 1 3 340.468 -0.282 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884656616 584632242 /nfs/dbraw/zinc/63/22/42/584632242.db2.gz NJQSIBPSEZGIQB-STQMWFEESA-N 1 3 340.468 -0.060 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884656519 584632375 /nfs/dbraw/zinc/63/23/75/584632375.db2.gz KJVABQSJYBQPCD-CYBMUJFWSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000884670372 584632536 /nfs/dbraw/zinc/63/25/36/584632536.db2.gz XMHTUPILRWYXED-LSDHHAIUSA-N 1 3 339.484 -0.674 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884675250 584632864 /nfs/dbraw/zinc/63/28/64/584632864.db2.gz XCKGDMNYLDWMJK-ZIAGYGMSSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884674578 584632939 /nfs/dbraw/zinc/63/29/39/584632939.db2.gz ZTAJHDNMNGPYGZ-KBPBESRZSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884675249 584633028 /nfs/dbraw/zinc/63/30/28/584633028.db2.gz XCKGDMNYLDWMJK-UONOGXRCSA-N 1 3 331.420 -0.013 20 0 EBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCNCCOC)CC1 ZINC000884721785 584635896 /nfs/dbraw/zinc/63/58/96/584635896.db2.gz UDKSJXZTPVEIFM-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC1(C)C ZINC000884724261 584636265 /nfs/dbraw/zinc/63/62/65/584636265.db2.gz OBRPGQLNUTVOBJ-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1c1ccncc1 ZINC000884789934 584637742 /nfs/dbraw/zinc/63/77/42/584637742.db2.gz FQKCLGWUKUWGAQ-WRSVWVKZSA-N 1 3 343.431 -0.013 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 ZINC000884824385 584639224 /nfs/dbraw/zinc/63/92/24/584639224.db2.gz XSKWHPHOPQPCHS-VNHYZAJKSA-N 1 3 331.420 -0.015 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884921728 584640841 /nfs/dbraw/zinc/64/08/41/584640841.db2.gz DIDFIHUXRSABSF-HDJSIYSDSA-N 1 3 328.457 -0.343 20 0 EBADHO CCN(C(=O)C(=O)N1CCN(c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066697 584674572 /nfs/dbraw/zinc/67/45/72/584674572.db2.gz RLJLAYNHCCVFIT-OAHLLOKOSA-N 1 3 331.420 -0.059 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)N1CCCCC1 ZINC000910946449 650141614 /nfs/dbraw/zinc/14/16/14/650141614.db2.gz MCWIQFYMVRNICU-BBRMVZONSA-N 1 3 326.441 -0.711 20 0 EBADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911004363 650144828 /nfs/dbraw/zinc/14/48/28/650144828.db2.gz OOXOPZGECBVLHC-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911002590 650144842 /nfs/dbraw/zinc/14/48/42/650144842.db2.gz BSKTWRYPFITWQG-UONOGXRCSA-N 1 3 338.452 -0.719 20 0 EBADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027032 650146138 /nfs/dbraw/zinc/14/61/38/650146138.db2.gz BGCMRWYJUUSFKC-LSDHHAIUSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027032 650146139 /nfs/dbraw/zinc/14/61/39/650146139.db2.gz BGCMRWYJUUSFKC-LSDHHAIUSA-N 1 3 339.484 -0.756 20 0 EBADHO CN(CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)C1CC1 ZINC000911052842 650147875 /nfs/dbraw/zinc/14/78/75/650147875.db2.gz ISGRXIQFSLBAJX-WDEREUQCSA-N 1 3 336.358 -0.065 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCNCCNCC1)[NH+]1CCC(C)CC1 ZINC000911090407 650150144 /nfs/dbraw/zinc/15/01/44/650150144.db2.gz IKZCRUKEIKLTQH-HNNXBMFYSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911163843 650156299 /nfs/dbraw/zinc/15/62/99/650156299.db2.gz ZWQSQHYIGGGNJU-BBRMVZONSA-N 1 3 326.441 -0.711 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911177469 650157059 /nfs/dbraw/zinc/15/70/59/650157059.db2.gz SENOBURFJJRFKO-WMLDXEAASA-N 1 3 340.468 -0.199 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911174293 650157378 /nfs/dbraw/zinc/15/73/78/650157378.db2.gz CQICKRUNRBDARW-BBRMVZONSA-N 1 3 326.441 -0.589 20 0 EBADHO C[C@@H](NC(=O)C(=O)N1CCNCCNCC1)C(C)(C)C[NH+](C)C ZINC000911201558 650158923 /nfs/dbraw/zinc/15/89/23/650158923.db2.gz SCAPDLXPZRPJRD-CYBMUJFWSA-N 1 3 327.473 -0.900 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201012 650159054 /nfs/dbraw/zinc/15/90/54/650159054.db2.gz VCERFFAEQZZFQV-NHYWBVRUSA-N 1 3 328.482 -0.346 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC000911268747 650164354 /nfs/dbraw/zinc/16/43/54/650164354.db2.gz FSRYKPRGRRSRNE-UONOGXRCSA-N 1 3 339.484 -0.818 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000911270505 650164818 /nfs/dbraw/zinc/16/48/18/650164818.db2.gz XXQPYQAZAJRULK-ZIAGYGMSSA-N 1 3 339.484 -0.900 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000911370331 650176277 /nfs/dbraw/zinc/17/62/77/650176277.db2.gz WWPWHUJKDNJTEU-MGPQQGTHSA-N 1 3 326.441 -0.720 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1=O ZINC000913680391 650242800 /nfs/dbraw/zinc/24/28/00/650242800.db2.gz NFQCRANYGHGQLJ-CQSZACIVSA-N 1 3 340.468 -0.688 20 0 EBADHO CC(C)COC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416534 650339408 /nfs/dbraw/zinc/33/94/08/650339408.db2.gz YOGMOVMRUAHJGV-XQLPTFJDSA-N 1 3 327.425 -0.113 20 0 EBADHO COC(=O)CCN1CC[C@@H](N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923447687 650341120 /nfs/dbraw/zinc/34/11/20/650341120.db2.gz VZNWOCQOYFICIU-ZIAGYGMSSA-N 1 3 339.436 -0.020 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923601267 650345954 /nfs/dbraw/zinc/34/59/54/650345954.db2.gz NAWOYUMBASEMCH-ZIAGYGMSSA-N 1 3 330.498 -0.222 20 0 EBADHO [NH3+][C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1c1cccc(F)c1 ZINC000923647000 650350618 /nfs/dbraw/zinc/35/06/18/650350618.db2.gz LZCXOPCQSSGSEP-UONOGXRCSA-N 1 3 328.413 -0.298 20 0 EBADHO CN(C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924562425 650364585 /nfs/dbraw/zinc/36/45/85/650364585.db2.gz ZESIUZZYEQZTCY-NEPJUHHUSA-N 1 3 325.413 -0.944 20 0 EBADHO CN(C)C[C@@H]1NC(=O)N(CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924562425 650364587 /nfs/dbraw/zinc/36/45/87/650364587.db2.gz ZESIUZZYEQZTCY-NEPJUHHUSA-N 1 3 325.413 -0.944 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926335302 650386951 /nfs/dbraw/zinc/38/69/51/650386951.db2.gz XLXNTMSLDNKQKG-KBPBESRZSA-N 1 3 328.457 -0.534 20 0 EBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926358945 650389049 /nfs/dbraw/zinc/38/90/49/650389049.db2.gz UFQCFUYXQMRRNP-UHFFFAOYSA-N 1 3 327.473 -0.802 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631544 651504425 /nfs/dbraw/zinc/50/44/25/651504425.db2.gz UILOFKNEBRYMCT-HUUCEWRRSA-N 1 3 326.441 -0.395 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927631544 651504429 /nfs/dbraw/zinc/50/44/29/651504429.db2.gz UILOFKNEBRYMCT-HUUCEWRRSA-N 1 3 326.441 -0.395 20 0 EBADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@H]2C(=O)NCC2(C)C)C1 ZINC000931667474 651641921 /nfs/dbraw/zinc/64/19/21/651641921.db2.gz KDTZEMICYJFHCH-ZFWWWQNUSA-N 1 3 340.468 -0.426 20 0 EBADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@H]2C(=O)NCC2(C)C)C1 ZINC000931667474 651641924 /nfs/dbraw/zinc/64/19/24/651641924.db2.gz KDTZEMICYJFHCH-ZFWWWQNUSA-N 1 3 340.468 -0.426 20 0 EBADHO O=C(N1CCN(C2CN(C[C@H]3CCOC3)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941641200 652851120 /nfs/dbraw/zinc/85/11/20/652851120.db2.gz ZGESPEPMVRRHKR-MRXNPFEDSA-N 1 3 348.491 -0.053 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCn3cncn3)C[C@H]2O)CC1 ZINC000958374231 722354103 /nfs/dbraw/zinc/35/41/03/722354103.db2.gz LPEPOELPWYLQCM-HUUCEWRRSA-N 1 3 336.440 -0.971 20 0 EBADHO O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581927 722395047 /nfs/dbraw/zinc/39/50/47/722395047.db2.gz VPFMLRDBQCYCJB-HOTGVXAUSA-N 1 3 325.453 -0.490 20 0 EBADHO Cn1nccc1CCN1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592201 722397605 /nfs/dbraw/zinc/39/76/05/722397605.db2.gz MSPSYSBAUNLGIG-ZBFHGGJFSA-N 1 3 347.463 -0.533 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001019000795 728770553 /nfs/dbraw/zinc/77/05/53/728770553.db2.gz QHNRMIFFIWAQAX-HOCLYGCPSA-N 1 3 340.468 -0.378 20 0 EBADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168760 728814392 /nfs/dbraw/zinc/81/43/92/728814392.db2.gz UNWMHRSAJZSMFG-NOAVELHRSA-N 1 3 345.447 -0.026 20 0 EBADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168760 728814395 /nfs/dbraw/zinc/81/43/95/728814395.db2.gz UNWMHRSAJZSMFG-NOAVELHRSA-N 1 3 345.447 -0.026 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CCO1 ZINC001019241712 728835446 /nfs/dbraw/zinc/83/54/46/728835446.db2.gz WLGBERYMBXHUHJ-SOUVJXGZSA-N 1 3 338.452 -0.482 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001019338986 728863340 /nfs/dbraw/zinc/86/33/40/728863340.db2.gz IXPTVKYDPFDZCJ-XJKSGUPXSA-N 1 3 338.452 -0.088 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)N(C)C ZINC001019394882 728878637 /nfs/dbraw/zinc/87/86/37/728878637.db2.gz PILBDGXWYRHLMY-KKUMJFAQSA-N 1 3 340.468 -0.236 20 0 EBADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC000970354615 725281545 /nfs/dbraw/zinc/28/15/45/725281545.db2.gz CMRQHRDXMNMDRU-UKRRQHHQSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971681052 725429972 /nfs/dbraw/zinc/42/99/72/725429972.db2.gz BDXDIGVLVBODGK-GJZGRUSLSA-N 1 3 337.468 -0.116 20 0 EBADHO CN(CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654317 735295633 /nfs/dbraw/zinc/29/56/33/735295633.db2.gz LEHLFLFAKIVIOG-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC000993582092 725912045 /nfs/dbraw/zinc/91/20/45/725912045.db2.gz UBLYLGYVTNTLPT-LSDHHAIUSA-N 1 3 348.447 -0.728 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000976540935 726340801 /nfs/dbraw/zinc/34/08/01/726340801.db2.gz PHJNWDVVBVCIJR-AALSBFMBSA-N 1 3 334.464 -0.149 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000976540935 726340802 /nfs/dbraw/zinc/34/08/02/726340802.db2.gz PHJNWDVVBVCIJR-AALSBFMBSA-N 1 3 334.464 -0.149 20 0 EBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000996357386 726372616 /nfs/dbraw/zinc/37/26/16/726372616.db2.gz XMFYOXZXONHQQW-CYBMUJFWSA-N 1 3 347.419 -0.072 20 0 EBADHO O=C(CN1CCCC1)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000997307481 726445634 /nfs/dbraw/zinc/44/56/34/726445634.db2.gz RYFCTQPQBATJSY-UHFFFAOYSA-N 1 3 337.424 -0.785 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001000222226 726560312 /nfs/dbraw/zinc/56/03/12/726560312.db2.gz CQMUCPNLWUZOQP-OLZOCXBDSA-N 1 3 339.440 -0.541 20 0 EBADHO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001003496451 726676938 /nfs/dbraw/zinc/67/69/38/726676938.db2.gz KMDVUKIAPMGIIC-HIFRSBDPSA-N 1 3 340.468 -0.189 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001009075289 726853426 /nfs/dbraw/zinc/85/34/26/726853426.db2.gz BCZGQYRTCXGIJW-CYUUQNCZSA-N 1 3 331.420 -0.276 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001009075289 726853429 /nfs/dbraw/zinc/85/34/29/726853429.db2.gz BCZGQYRTCXGIJW-CYUUQNCZSA-N 1 3 331.420 -0.276 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051943124 735477581 /nfs/dbraw/zinc/47/75/81/735477581.db2.gz ITOSEILKYRPQFA-LSDHHAIUSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001020178676 729092102 /nfs/dbraw/zinc/09/21/02/729092102.db2.gz AYIUDVDCPDKZQY-FPCVCCKLSA-N 1 3 333.436 -0.017 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001020178690 729092632 /nfs/dbraw/zinc/09/26/32/729092632.db2.gz BBSBLSSICPQTKP-KBUPBQIOSA-N 1 3 334.424 -0.622 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020586207 729204759 /nfs/dbraw/zinc/20/47/59/729204759.db2.gz ICOYLTYQYHWMPW-RBSFLKMASA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020586681 729204821 /nfs/dbraw/zinc/20/48/21/729204821.db2.gz VVVBKWTZNINKHH-IHRRRGAJSA-N 1 3 336.436 -0.144 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001022118947 729457140 /nfs/dbraw/zinc/45/71/40/729457140.db2.gz AYIUDVDCPDKZQY-XUWVNRHRSA-N 1 3 333.436 -0.017 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455243 729495500 /nfs/dbraw/zinc/49/55/00/729495500.db2.gz NAAXFKPESRSPQC-WCCAFZKYSA-N 1 3 346.435 -0.622 20 0 EBADHO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022452022 729495578 /nfs/dbraw/zinc/49/55/78/729495578.db2.gz JGVYSWKBHWBMGT-JULPMKOJSA-N 1 3 346.435 -0.585 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455121 729495689 /nfs/dbraw/zinc/49/56/89/729495689.db2.gz HWVQCEKBBYJYIP-SYGRHNPNSA-N 1 3 345.447 -0.017 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022712565 729524426 /nfs/dbraw/zinc/52/44/26/729524426.db2.gz UGFDXWNAWZURBZ-UPJWGTAASA-N 1 3 337.424 -0.741 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001026043416 730117627 /nfs/dbraw/zinc/11/76/27/730117627.db2.gz RRTOERUUWWSRRF-OCABDXPQSA-N 1 3 347.463 -0.225 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001026043416 730117628 /nfs/dbraw/zinc/11/76/28/730117628.db2.gz RRTOERUUWWSRRF-OCABDXPQSA-N 1 3 347.463 -0.225 20 0 EBADHO CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCC(=O)NC1=O ZINC001029887361 730519489 /nfs/dbraw/zinc/51/94/89/730519489.db2.gz BEHARTQWSQZXGH-KGLIPLIRSA-N 1 3 348.447 -0.332 20 0 EBADHO O=C(NCC1CN(C[C@H](O)Cn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031672535 730749084 /nfs/dbraw/zinc/74/90/84/730749084.db2.gz JKZXSYYIQLEDMQ-IRXDYDNUSA-N 1 3 347.463 -0.366 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001034964330 731169438 /nfs/dbraw/zinc/16/94/38/731169438.db2.gz IGMDEWVZFHXUGA-NFAWXSAZSA-N 1 3 338.452 -0.042 20 0 EBADHO CCN(CC)CC(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039785355 731533273 /nfs/dbraw/zinc/53/32/73/731533273.db2.gz IJNFNAHHZDJENE-QGZVFWFLSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001040099731 731597713 /nfs/dbraw/zinc/59/77/13/731597713.db2.gz LAJXKNBDOYNVKW-KRWDZBQOSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001040099731 731597717 /nfs/dbraw/zinc/59/77/17/731597717.db2.gz LAJXKNBDOYNVKW-KRWDZBQOSA-N 1 3 342.484 -0.252 20 0 EBADHO CN(C)C1(C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001040116841 731606781 /nfs/dbraw/zinc/60/67/81/731606781.db2.gz FDRMWJZFQIUECR-MRXNPFEDSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040360255 731712884 /nfs/dbraw/zinc/71/28/84/731712884.db2.gz VNNKLMUMVAWGNW-WMLDXEAASA-N 1 3 342.484 -0.252 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719847 731846439 /nfs/dbraw/zinc/84/64/39/731846439.db2.gz YGYDHZDLDVXXLJ-QGZVFWFLSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001040797163 731878741 /nfs/dbraw/zinc/87/87/41/731878741.db2.gz CCPUWVLMNUYPDI-BBRMVZONSA-N 1 3 328.457 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797804 731879003 /nfs/dbraw/zinc/87/90/03/731879003.db2.gz LPJJNQZXJFWCQM-INIZCTEOSA-N 1 3 328.457 -0.641 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801214 731881277 /nfs/dbraw/zinc/88/12/77/731881277.db2.gz NVEMLUPXFSOOOD-QGZVFWFLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001040902349 731911547 /nfs/dbraw/zinc/91/15/47/731911547.db2.gz RGVYXYCSMKNHLF-MRXNPFEDSA-N 1 3 337.424 -0.626 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001040902349 731911551 /nfs/dbraw/zinc/91/15/51/731911551.db2.gz RGVYXYCSMKNHLF-MRXNPFEDSA-N 1 3 337.424 -0.626 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829644 732234819 /nfs/dbraw/zinc/23/48/19/732234819.db2.gz ABDOIRYQIHAVMY-YJBOKZPZSA-N 1 3 349.479 -0.112 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829644 732234822 /nfs/dbraw/zinc/23/48/22/732234822.db2.gz ABDOIRYQIHAVMY-YJBOKZPZSA-N 1 3 349.479 -0.112 20 0 EBADHO CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595281 738634645 /nfs/dbraw/zinc/63/46/45/738634645.db2.gz GXMNQQFYRPTGAS-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061595281 738634646 /nfs/dbraw/zinc/63/46/46/738634646.db2.gz GXMNQQFYRPTGAS-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595965 738635658 /nfs/dbraw/zinc/63/56/58/738635658.db2.gz RUUAQHCMDNGUJS-CABCVRRESA-N 1 3 340.468 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CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065256330 739616071 /nfs/dbraw/zinc/61/60/71/739616071.db2.gz JSELJCKKAFPENI-LSDHHAIUSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001065256330 739616075 /nfs/dbraw/zinc/61/60/75/739616075.db2.gz JSELJCKKAFPENI-LSDHHAIUSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)[C@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001065404348 739691366 /nfs/dbraw/zinc/69/13/66/739691366.db2.gz BBIAUNYSKXPOBF-GDBMZVCRSA-N 1 3 342.484 -0.132 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001065675062 739838589 /nfs/dbraw/zinc/83/85/89/739838589.db2.gz KOXWLLKINBXRIO-AWEZNQCLSA-N 1 3 337.424 -0.362 20 0 EBADHO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001068456219 740331220 /nfs/dbraw/zinc/33/12/20/740331220.db2.gz LULLRDUJLGQWHK-UHFFFAOYSA-N 1 3 335.408 -0.656 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068940751 740502329 /nfs/dbraw/zinc/50/23/29/740502329.db2.gz PYEDYAVIVDMNRT-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013318 740523304 /nfs/dbraw/zinc/52/33/04/740523304.db2.gz NBHLUAMHBQMFEO-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070534964 740857538 /nfs/dbraw/zinc/85/75/38/740857538.db2.gz XHHHLZMBLROFDE-OFQRWUPVSA-N 1 3 335.452 -0.219 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070534963 740857740 /nfs/dbraw/zinc/85/77/40/740857740.db2.gz XHHHLZMBLROFDE-IJEWVQPXSA-N 1 3 335.452 -0.219 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)CC1 ZINC001072941381 741525435 /nfs/dbraw/zinc/52/54/35/741525435.db2.gz NBYZMBWWSCKTEY-UHFFFAOYSA-N 1 3 349.479 -0.112 20 0 EBADHO O=C(CN1CCCC1)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001073430543 741612945 /nfs/dbraw/zinc/61/29/45/741612945.db2.gz GZKUUTDXSXWOSU-UHFFFAOYSA-N 1 3 335.452 -0.358 20 0 EBADHO O=C(CN1CCCC1)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001073430543 741612947 /nfs/dbraw/zinc/61/29/47/741612947.db2.gz GZKUUTDXSXWOSU-UHFFFAOYSA-N 1 3 335.452 -0.358 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C)C(N)=O ZINC001074959623 742146807 /nfs/dbraw/zinc/14/68/07/742146807.db2.gz WXSHICHMJYVOED-OBJOEFQTSA-N 1 3 336.440 -0.489 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106401 742181600 /nfs/dbraw/zinc/18/16/00/742181600.db2.gz BYUOTYIDSLZEKS-KKUMJFAQSA-N 1 3 338.452 -0.624 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106401 742181602 /nfs/dbraw/zinc/18/16/02/742181602.db2.gz BYUOTYIDSLZEKS-KKUMJFAQSA-N 1 3 338.452 -0.624 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C ZINC001077494195 743016985 /nfs/dbraw/zinc/01/69/85/743016985.db2.gz DNJZZJLPYLSMOA-AWEZNQCLSA-N 1 3 330.473 -0.083 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980390786 805878530 /nfs/dbraw/zinc/87/85/30/805878530.db2.gz KHZQJWVLIFSXRD-KGLIPLIRSA-N 1 3 336.436 -0.380 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980390786 805878538 /nfs/dbraw/zinc/87/85/38/805878538.db2.gz KHZQJWVLIFSXRD-KGLIPLIRSA-N 1 3 336.436 -0.380 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976872381 803927142 /nfs/dbraw/zinc/92/71/42/803927142.db2.gz YVGIERONHICYCH-AIANPOQGSA-N 1 3 346.475 -0.003 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC000985333546 807487224 /nfs/dbraw/zinc/48/72/24/807487224.db2.gz HLPVNTLXEXMUKY-KGLIPLIRSA-N 1 3 336.436 -0.191 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC000985333546 807487227 /nfs/dbraw/zinc/48/72/27/807487227.db2.gz HLPVNTLXEXMUKY-KGLIPLIRSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491209 808488008 /nfs/dbraw/zinc/48/80/08/808488008.db2.gz DRBQRRDZZTUXCR-YPMHNXCESA-N 1 3 333.392 -0.320 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214344710 810240283 /nfs/dbraw/zinc/24/02/83/810240283.db2.gz XFYHMTMTPWREEO-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214855334 810286139 /nfs/dbraw/zinc/28/61/39/810286139.db2.gz CPPUBNUNUCUVQH-BNOWGMLFSA-N 1 3 346.497 -0.688 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423172 810327082 /nfs/dbraw/zinc/32/70/82/810327082.db2.gz AORYLIXODODMNB-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215414399 810327375 /nfs/dbraw/zinc/32/73/75/810327375.db2.gz VYODVZCTXDBXRO-GRYCIOLGSA-N 1 3 339.440 -0.652 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459024 810330874 /nfs/dbraw/zinc/33/08/74/810330874.db2.gz UPLAROMLMDYOLL-GRYCIOLGSA-N 1 3 327.429 -0.781 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001215463235 810331172 /nfs/dbraw/zinc/33/11/72/810331172.db2.gz NTRHRLIAAUCPRL-RBSFLKMASA-N 1 3 340.468 -0.473 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001215994166 810353928 /nfs/dbraw/zinc/35/39/28/810353928.db2.gz SOLZUXYLQFSJBD-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(OC2C[NH2+]C2)cc1)C(N)=O ZINC001218051749 810474605 /nfs/dbraw/zinc/47/46/05/810474605.db2.gz BBAYXKNQQURWJL-HOTGVXAUSA-N 1 3 348.447 -0.077 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001218324222 810487632 /nfs/dbraw/zinc/48/76/32/810487632.db2.gz HLVISAZGVTUSOM-KXUCPTDWSA-N 1 3 336.392 -0.253 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566403 810504255 /nfs/dbraw/zinc/50/42/55/810504255.db2.gz HGUQWLWEZFPWMN-ZETCQYMHSA-N 1 3 327.186 -0.082 20 0 EBADHO CN1CCN(c2ncc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cn2)CC1 ZINC001218579342 810507698 /nfs/dbraw/zinc/50/76/98/810507698.db2.gz CGPVKCCPFQAXSD-AWEZNQCLSA-N 1 3 333.440 -0.506 20 0 EBADHO O=C(Nc1ncnc2c1ncn2[C@@H]1CCCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218644958 810515111 /nfs/dbraw/zinc/51/51/11/810515111.db2.gz ZCPRXKZJFNFSNI-QWRGUYRKSA-N 1 3 343.391 -0.117 20 0 EBADHO N[C@@H](C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218669272 810518148 /nfs/dbraw/zinc/51/81/48/810518148.db2.gz OLLQPMWRMSOWAG-OAHLLOKOSA-N 1 3 336.440 -0.519 20 0 EBADHO O=C(Nc1ncccc1CN1CCOCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218698270 810521945 /nfs/dbraw/zinc/52/19/45/810521945.db2.gz HTRPSMHJYZNXBB-AWEZNQCLSA-N 1 3 331.420 -0.339 20 0 EBADHO Nc1ncn(C(=O)C2(N)CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779452 810530662 /nfs/dbraw/zinc/53/06/62/810530662.db2.gz NJABMYOBJMOBRJ-IUCAKERBSA-N 1 3 340.815 -0.879 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001015599458 810535757 /nfs/dbraw/zinc/53/57/57/810535757.db2.gz OAUDCGUSEFVXLY-LSDHHAIUSA-N 1 3 336.440 -0.422 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001015599458 810535764 /nfs/dbraw/zinc/53/57/64/810535764.db2.gz OAUDCGUSEFVXLY-LSDHHAIUSA-N 1 3 336.440 -0.422 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001015599457 810536025 /nfs/dbraw/zinc/53/60/25/810536025.db2.gz OAUDCGUSEFVXLY-HUUCEWRRSA-N 1 3 336.440 -0.422 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001015599457 810536030 /nfs/dbraw/zinc/53/60/30/810536030.db2.gz OAUDCGUSEFVXLY-HUUCEWRRSA-N 1 3 336.440 -0.422 20 0 EBADHO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218850434 810537385 /nfs/dbraw/zinc/53/73/85/810537385.db2.gz MBDMJSYMIRDLSY-OAHLLOKOSA-N 1 3 344.415 -0.094 20 0 EBADHO O=C(N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000437 810648882 /nfs/dbraw/zinc/64/88/82/810648882.db2.gz BMJNKAAVDAHVHH-CABCVRRESA-N 1 3 333.436 -0.470 20 0 EBADHO COc1cc2c(cc1NC(=O)[C@H]1CNCCN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500445 810722825 /nfs/dbraw/zinc/72/28/25/810722825.db2.gz BCQKAMQQPQVBGY-CXAGYDPISA-N 1 3 345.403 -0.622 20 0 EBADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219609868 810769863 /nfs/dbraw/zinc/76/98/63/810769863.db2.gz GQRNDDLYGMDPQL-KCJUWKMLSA-N 1 3 341.355 -0.826 20 0 EBADHO O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@H]1COC2(CNC2)CN1 ZINC001219929714 810912588 /nfs/dbraw/zinc/91/25/88/810912588.db2.gz QCMWFLRXTRKVCR-OAHLLOKOSA-N 1 3 345.447 -0.505 20 0 EBADHO O=C(NCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccncc1 ZINC001219936550 810914717 /nfs/dbraw/zinc/91/47/17/810914717.db2.gz JCYNNUZYTKNUJO-AWEZNQCLSA-N 1 3 331.420 -0.198 20 0 EBADHO O=C(NCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccncc1 ZINC001219936550 810914728 /nfs/dbraw/zinc/91/47/28/810914728.db2.gz JCYNNUZYTKNUJO-AWEZNQCLSA-N 1 3 331.420 -0.198 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954920 810924502 /nfs/dbraw/zinc/92/45/02/810924502.db2.gz YINUPWQXOLLUDD-AAEUAGOBSA-N 1 3 341.456 -0.878 20 0 EBADHO CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001220032955 810955790 /nfs/dbraw/zinc/95/57/90/810955790.db2.gz FGKMYRQFDGDZKD-RYUDHWBXSA-N 1 3 341.456 -0.939 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1cc[nH]n1 ZINC001220062041 810965794 /nfs/dbraw/zinc/96/57/94/810965794.db2.gz KNSMBDDGSAFXRT-KBPBESRZSA-N 1 3 336.440 -0.484 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320409 811055077 /nfs/dbraw/zinc/05/50/77/811055077.db2.gz NHFJVEOUUNSNJN-LMWOUKEDSA-N 1 3 326.441 -0.497 20 0 EBADHO N[C@H](C(=O)NCc1ccc(N2CCOCC2)nn1)C1CC[NH2+]CC1 ZINC001220389965 811089326 /nfs/dbraw/zinc/08/93/26/811089326.db2.gz IUNPNLQAARQLDS-HNNXBMFYSA-N 1 3 334.424 -0.744 20 0 EBADHO O=C(NC[C@@H]1COCCN1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220431915 811105720 /nfs/dbraw/zinc/10/57/20/811105720.db2.gz SRZHHRIPNHVPCT-SJORKVTESA-N 1 3 344.459 -0.187 20 0 EBADHO N=C(N)N(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC001220460793 811116578 /nfs/dbraw/zinc/11/65/78/811116578.db2.gz YUDSSEHCQIZMIO-ZIAGYGMSSA-N 1 3 333.392 -0.528 20 0 EBADHO CS(=O)(=O)c1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220683233 811200871 /nfs/dbraw/zinc/20/08/71/811200871.db2.gz LXMNWJFUQGTZMC-CZUORRHYSA-N 1 3 337.445 -0.095 20 0 EBADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220770195 811236083 /nfs/dbraw/zinc/23/60/83/811236083.db2.gz VOPMRFLGRYNHSI-KGLIPLIRSA-N 1 3 349.435 -0.505 20 0 EBADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220770195 811236092 /nfs/dbraw/zinc/23/60/92/811236092.db2.gz VOPMRFLGRYNHSI-KGLIPLIRSA-N 1 3 349.435 -0.505 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789335 811243524 /nfs/dbraw/zinc/24/35/24/811243524.db2.gz KMWUCVRTCDDNEZ-MJBXVCDLSA-N 1 3 334.424 -0.376 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1=O ZINC001220806091 811248158 /nfs/dbraw/zinc/24/81/58/811248158.db2.gz XSKPMMMZWRSSOP-OUAUKWLOSA-N 1 3 336.358 -0.017 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)CNCC[NH3+])CC1 ZINC001220971272 811317693 /nfs/dbraw/zinc/31/76/93/811317693.db2.gz ZMPFUOCHFZFYHU-UHFFFAOYSA-N 1 3 333.436 -0.829 20 0 EBADHO O=C(NC1CN(c2ncnc3ccccc32)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220985322 811326096 /nfs/dbraw/zinc/32/60/96/811326096.db2.gz RBDMQVUSOIIDFK-AWEZNQCLSA-N 1 3 338.415 -0.256 20 0 EBADHO N[C@H](C(=O)NCc1cccc(N2CCOCC2=O)c1)C1CC[NH2+]CC1 ZINC001220990491 811331093 /nfs/dbraw/zinc/33/10/93/811331093.db2.gz NYPWRXPZVNFXIS-KRWDZBQOSA-N 1 3 346.431 -0.007 20 0 EBADHO COCCC1(NC(=O)[C@H](N)C2CC[NH2+]CC2)CCS(=O)(=O)CC1 ZINC001221025911 811351080 /nfs/dbraw/zinc/35/10/80/811351080.db2.gz LXMIDCPRPKGWTH-CYBMUJFWSA-N 1 3 347.481 -0.587 20 0 EBADHO COCCC1(NC(=O)[C@@H](N)CCCC[NH3+])CCS(=O)(=O)CC1 ZINC001221025768 811351652 /nfs/dbraw/zinc/35/16/52/811351652.db2.gz GSFSKBKDGOYOBD-LBPRGKRZSA-N 1 3 335.470 -0.457 20 0 EBADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001221365912 811446457 /nfs/dbraw/zinc/44/64/57/811446457.db2.gz LCNHRPBPSMVQND-KBPBESRZSA-N 1 3 333.388 -0.568 20 0 EBADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391179 811449359 /nfs/dbraw/zinc/44/93/59/811449359.db2.gz CNQVCGHNOWQORV-GDBMZVCRSA-N 1 3 334.420 -0.294 20 0 EBADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787447 811534808 /nfs/dbraw/zinc/53/48/08/811534808.db2.gz RNZFLGUYJSQYKN-OWCLPIDISA-N 1 3 325.453 -0.132 20 0 EBADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079493983 811561322 /nfs/dbraw/zinc/56/13/22/811561322.db2.gz NYTBSISBXOTAAH-OAHLLOKOSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001226801193 811884834 /nfs/dbraw/zinc/88/48/34/811884834.db2.gz UXSGUCXIEAHQNS-YRGRVCCFSA-N 1 3 339.440 -0.462 20 0 EBADHO CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080138940 811913383 /nfs/dbraw/zinc/91/33/83/811913383.db2.gz UKTJNTBJKHVOQV-OAHLLOKOSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](COCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O)[NH+]1CCCC1 ZINC001228669561 811993297 /nfs/dbraw/zinc/99/32/97/811993297.db2.gz SMYRBRATCRBYIJ-RBSFLKMASA-N 1 3 340.468 -0.010 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229238707 812022122 /nfs/dbraw/zinc/02/21/22/812022122.db2.gz SPMIJYVJJVUOSF-ZIAGYGMSSA-N 1 3 348.513 -0.106 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CC[C@H](N4CCC([NH3+])CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001236622408 812518542 /nfs/dbraw/zinc/51/85/42/812518542.db2.gz NMDABIGZKMALOG-QMHWVQJVSA-N 1 3 341.452 -0.279 20 0 EBADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCOC[C@]2(CNCCO2)C1 ZINC001238999513 812539039 /nfs/dbraw/zinc/53/90/39/812539039.db2.gz JOGDCBAGCFNCAU-AWEZNQCLSA-N 1 3 333.454 -0.993 20 0 EBADHO NCCC[NH2+]CCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC001239397320 812551938 /nfs/dbraw/zinc/55/19/38/812551938.db2.gz ZSYARVYHUIWEPV-UHFFFAOYSA-N 1 3 345.494 -0.051 20 0 EBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001246005081 812558648 /nfs/dbraw/zinc/55/86/48/812558648.db2.gz CWYKRPOYZHIJSF-IUCAKERBSA-N 1 3 333.326 -0.163 20 0 EBADHO CCOC(=O)CC1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CNC1 ZINC001246247387 812569126 /nfs/dbraw/zinc/56/91/26/812569126.db2.gz GJXDLWAWDOXNMN-NEPJUHHUSA-N 1 3 342.465 -0.865 20 0 EBADHO CC(=O)NCc1nnn2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739204 812585116 /nfs/dbraw/zinc/58/51/16/812585116.db2.gz QDJSIRVOPGMECD-CYBMUJFWSA-N 1 3 333.440 -0.786 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[NH2+]C2(CCC2)C1)O3 ZINC001247009101 812596108 /nfs/dbraw/zinc/59/61/08/812596108.db2.gz KBLDGTWDZQICGX-CXTNEJHOSA-N 1 3 327.450 -0.194 20 0 EBADHO [NH3+]CCC(=O)CCC(=O)CCC(=O)CCN[C@H]1CCS(=O)(=O)C1 ZINC001254324571 812699770 /nfs/dbraw/zinc/69/97/70/812699770.db2.gz NDLJYIORPPQMII-LBPRGKRZSA-N 1 3 346.449 -0.230 20 0 EBADHO COC(=O)[C@H](C[NH3+])CN[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257720437 812770104 /nfs/dbraw/zinc/77/01/04/812770104.db2.gz GTFYYKVJFNYLPQ-WRWGMCAJSA-N 1 3 330.381 -0.545 20 0 EBADHO CN1CCN(C[C@@H](O)C[NH2+]CC(C)(C)N2CCN(C)CC2)CC1 ZINC001261436600 812906118 /nfs/dbraw/zinc/90/61/18/812906118.db2.gz GJLXDGRNKPQBOD-INIZCTEOSA-N 1 3 327.517 -0.790 20 0 EBADHO CN1CCN(C[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC001261436660 812906151 /nfs/dbraw/zinc/90/61/51/812906151.db2.gz IEKLUPIINBYITP-MSOLQXFVSA-N 1 3 340.512 -0.172 20 0 EBADHO CN1CCN(CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001261644026 812957769 /nfs/dbraw/zinc/95/77/69/812957769.db2.gz NPXVWYFLPANZTL-UHFFFAOYSA-N 1 3 335.456 -0.430 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073380 813033840 /nfs/dbraw/zinc/03/38/40/813033840.db2.gz PZOVESSFANAION-MJBXVCDLSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001262075035 813034561 /nfs/dbraw/zinc/03/45/61/813034561.db2.gz ILMMASRNFKGWIL-LSDHHAIUSA-N 1 3 339.484 -0.532 20 0 EBADHO [NH3+]CCN1CCC[C@@H](C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1=O ZINC001263160596 813108189 /nfs/dbraw/zinc/10/81/89/813108189.db2.gz IOGQLBSAFIKMRX-CABCVRRESA-N 1 3 338.452 -0.447 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CCC1 ZINC001081556365 813174576 /nfs/dbraw/zinc/17/45/76/813174576.db2.gz NLCRDBMSWFIBGT-KGLIPLIRSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001264436760 813176422 /nfs/dbraw/zinc/17/64/22/813176422.db2.gz HVWFFSVTLAIGLN-IHRRRGAJSA-N 1 3 338.452 -0.040 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001265433965 813323446 /nfs/dbraw/zinc/32/34/46/813323446.db2.gz RYTDQXQWLUXSHS-LBPRGKRZSA-N 1 3 332.470 -0.790 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)NCCC[N@H+](C)CC(=O)N(C)C ZINC001265973843 813429831 /nfs/dbraw/zinc/42/98/31/813429831.db2.gz BGPBYBOIJGUPMU-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)NCCC[N@@H+](C)CC(=O)N(C)C ZINC001265973843 813429836 /nfs/dbraw/zinc/42/98/36/813429836.db2.gz BGPBYBOIJGUPMU-CQSZACIVSA-N 1 3 328.457 -0.519 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001265990124 813435243 /nfs/dbraw/zinc/43/52/43/813435243.db2.gz NMHHZNLNBFELJA-CHWSQXEVSA-N 1 3 339.440 -0.684 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733170 813488861 /nfs/dbraw/zinc/48/88/61/813488861.db2.gz PXUVWJAOGMTXJD-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001081774392 813541609 /nfs/dbraw/zinc/54/16/09/813541609.db2.gz OJKHMELJFAVUEM-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081774392 813541613 /nfs/dbraw/zinc/54/16/13/813541613.db2.gz OJKHMELJFAVUEM-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO COCCOC[C@@H](O)CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353112 813545061 /nfs/dbraw/zinc/54/50/61/813545061.db2.gz ONLIYGYIMBADGD-CABCVRRESA-N 1 3 341.452 -0.703 20 0 EBADHO COCCOC[C@@H](O)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353113 813545688 /nfs/dbraw/zinc/54/56/88/813545688.db2.gz ONLIYGYIMBADGD-GJZGRUSLSA-N 1 3 341.452 -0.703 20 0 EBADHO CN(CCNCCN1CCCS1(=O)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001266817563 813678020 /nfs/dbraw/zinc/67/80/20/813678020.db2.gz LTDWPXRIIPYCLV-UHFFFAOYSA-N 1 3 346.497 -0.588 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267025364 813739064 /nfs/dbraw/zinc/73/90/64/813739064.db2.gz VGORYVUSMMTVRU-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456563 813902345 /nfs/dbraw/zinc/90/23/45/813902345.db2.gz BDJLGHIJEXWHRI-CQSZACIVSA-N 1 3 338.452 -0.717 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267474325 813910418 /nfs/dbraw/zinc/91/04/18/813910418.db2.gz PTJLZFPDJVCJQC-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267592320 813944733 /nfs/dbraw/zinc/94/47/33/813944733.db2.gz REIJJGQGYALAAE-UONOGXRCSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267592320 813944740 /nfs/dbraw/zinc/94/47/40/813944740.db2.gz REIJJGQGYALAAE-UONOGXRCSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001082748492 814004981 /nfs/dbraw/zinc/00/49/81/814004981.db2.gz OBTOQNNJQNTNBP-UPJWGTAASA-N 1 3 339.440 -0.685 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC001267931850 814070760 /nfs/dbraw/zinc/07/07/60/814070760.db2.gz GZBHQAPARKZZKN-HDJSIYSDSA-N 1 3 348.513 -0.107 20 0 EBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001268099055 814124899 /nfs/dbraw/zinc/12/48/99/814124899.db2.gz XYWANOCJGJJMLU-ZDUSSCGKSA-N 1 3 326.441 -0.088 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C/CN[C@@H]2CCNC2=O)n1 ZINC001268539559 814280024 /nfs/dbraw/zinc/28/00/24/814280024.db2.gz VJUVLGBGDIDGTJ-ITDFMYJTSA-N 1 3 334.424 -0.791 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C\CN[C@@H]2CCNC2=O)n1 ZINC001268539558 814280650 /nfs/dbraw/zinc/28/06/50/814280650.db2.gz VJUVLGBGDIDGTJ-DHCBQETCSA-N 1 3 334.424 -0.791 20 0 EBADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001268848146 814412627 /nfs/dbraw/zinc/41/26/27/814412627.db2.gz RSBJEFADTLZCBA-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001268959295 814457975 /nfs/dbraw/zinc/45/79/75/814457975.db2.gz XNRXFBXNDLUUCB-GFCCVEGCSA-N 1 3 329.445 -0.391 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O ZINC001268961771 814459352 /nfs/dbraw/zinc/45/93/52/814459352.db2.gz HDVRYJYTIRKPIQ-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083749874 814754600 /nfs/dbraw/zinc/75/46/00/814754600.db2.gz VFTHQASJOYMGNI-BMFZPTHFSA-N 1 3 325.453 -0.084 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001270173928 815708003 /nfs/dbraw/zinc/70/80/03/815708003.db2.gz GQFPUNZQPKUEFP-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085279610 816035960 /nfs/dbraw/zinc/03/59/60/816035960.db2.gz UKFCRURPGZGTME-DEWJTKQSSA-N 1 3 336.436 -0.648 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)CCCC[NH+](C)C)C2 ZINC001271250035 816051946 /nfs/dbraw/zinc/05/19/46/816051946.db2.gz MSXUFJUKLOBQEV-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431921 816333187 /nfs/dbraw/zinc/33/31/87/816333187.db2.gz GZANVVRYXUFKOP-KABIWOGOSA-N 1 3 336.436 -0.792 20 0 EBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087088054 816460176 /nfs/dbraw/zinc/46/01/76/816460176.db2.gz IFLWYCQEKFCTSR-BPLDGKMQSA-N 1 3 349.435 -0.316 20 0 EBADHO O=C1COCC2(CN(CC3CC[NH2+]CC3)C2)N1CCn1ccnc1 ZINC001273031095 816570348 /nfs/dbraw/zinc/57/03/48/816570348.db2.gz REPMSOSYTMPEGI-UHFFFAOYSA-N 1 3 333.436 -0.204 20 0 EBADHO CS(=O)(=O)NCCNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001273185717 816602311 /nfs/dbraw/zinc/60/23/11/816602311.db2.gz DFFBYMVIOMAXGJ-UHFFFAOYSA-N 1 3 344.481 -0.740 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088046438 816610194 /nfs/dbraw/zinc/61/01/94/816610194.db2.gz UQRHNVBXGFJFTM-OWQJAQGESA-N 1 3 335.448 -0.378 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088046438 816610201 /nfs/dbraw/zinc/61/02/01/816610201.db2.gz UQRHNVBXGFJFTM-OWQJAQGESA-N 1 3 335.448 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273351250 816651548 /nfs/dbraw/zinc/65/15/48/816651548.db2.gz NPGFQMQAHHBZSU-AWEZNQCLSA-N 1 3 341.456 -0.830 20 0 EBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273716223 816741116 /nfs/dbraw/zinc/74/11/16/816741116.db2.gz GNXXPHRTIOEZEE-OCCSQVGLSA-N 1 3 326.441 -0.184 20 0 EBADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@@H]3COCCO3)C2)OCC1=O ZINC001273773095 816755652 /nfs/dbraw/zinc/75/56/52/816755652.db2.gz BVBVEMJHRYTKMD-ZBFHGGJFSA-N 1 3 327.425 -0.733 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001273862908 816789001 /nfs/dbraw/zinc/78/90/01/816789001.db2.gz CNOFKAACNZOJRP-CQSZACIVSA-N 1 3 342.484 -0.790 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910745 816806351 /nfs/dbraw/zinc/80/63/51/816806351.db2.gz KNTLFIRGGINJRK-WBVHZDCISA-N 1 3 343.468 -0.720 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1)N(C)C ZINC001274572289 817017193 /nfs/dbraw/zinc/01/71/93/817017193.db2.gz KLZRBFPQQOKGKB-CQSZACIVSA-N 1 3 338.456 -0.439 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)CCO1 ZINC001275916096 817313058 /nfs/dbraw/zinc/31/30/58/817313058.db2.gz UNJQZCWNJBYPGD-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090814177 817771222 /nfs/dbraw/zinc/77/12/22/817771222.db2.gz JHPKNLMVNRYQQN-CABCVRRESA-N 1 3 338.452 -0.744 20 0 EBADHO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090814177 817771231 /nfs/dbraw/zinc/77/12/31/817771231.db2.gz JHPKNLMVNRYQQN-CABCVRRESA-N 1 3 338.452 -0.744 20 0 EBADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001279242584 817913915 /nfs/dbraw/zinc/91/39/15/817913915.db2.gz VPSIDJCQTJWPPB-BPCQOVAHSA-N 1 3 336.436 -0.145 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001279886021 817999999 /nfs/dbraw/zinc/99/99/99/817999999.db2.gz GDBAOGLKABKCBJ-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001284854505 819373522 /nfs/dbraw/zinc/37/35/22/819373522.db2.gz HNGWCFJMEXCUFQ-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971927 819975242 /nfs/dbraw/zinc/97/52/42/819975242.db2.gz OFWUTUJVOQAELB-CVEARBPZSA-N 1 3 349.479 -0.144 20 0 EBADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001100408152 820407451 /nfs/dbraw/zinc/40/74/51/820407451.db2.gz WQNCTKOAPMGCEO-UXUKBGGZSA-N 1 3 331.482 -0.144 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100678278 820509027 /nfs/dbraw/zinc/50/90/27/820509027.db2.gz GBHHXMQROSKYII-HSBZDZAISA-N 1 3 331.482 -0.143 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1 ZINC001100901757 820594159 /nfs/dbraw/zinc/59/41/59/820594159.db2.gz MVASUFOJPVABBT-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001101036373 820661043 /nfs/dbraw/zinc/66/10/43/820661043.db2.gz OXFKQUVOXXGORQ-UHFFFAOYSA-N 1 3 339.440 -0.637 20 0 EBADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244194 822045468 /nfs/dbraw/zinc/04/54/68/822045468.db2.gz HAWIEXZSRJFOTQ-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317307810 822077707 /nfs/dbraw/zinc/07/77/07/822077707.db2.gz STSOGNCPTOWFIR-AWEZNQCLSA-N 1 3 338.452 -0.575 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001317310685 822078501 /nfs/dbraw/zinc/07/85/01/822078501.db2.gz WPHWSSIAXFGSCC-UONOGXRCSA-N 1 3 336.436 -0.142 20 0 EBADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317329301 822085073 /nfs/dbraw/zinc/08/50/73/822085073.db2.gz FEVJVTPPPNYEOB-JKSUJKDBSA-N 1 3 340.468 -0.329 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317331726 822085477 /nfs/dbraw/zinc/08/54/77/822085477.db2.gz UITNPOFNDXSDPI-QWHCGFSZSA-N 1 3 337.424 -0.930 20 0 EBADHO CN(CCNCCN1CCCS1(=O)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001317656073 822193988 /nfs/dbraw/zinc/19/39/88/822193988.db2.gz WMHUKOUZDVDAFM-UHFFFAOYSA-N 1 3 344.481 -0.834 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106910626 822352716 /nfs/dbraw/zinc/35/27/16/822352716.db2.gz HCURNPAUSUOXDO-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001128552673 828474287 /nfs/dbraw/zinc/47/42/87/828474287.db2.gz RRPBPYUVMYTRQF-ZIAGYGMSSA-N 1 3 348.463 -0.087 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001128784520 828526689 /nfs/dbraw/zinc/52/66/89/828526689.db2.gz NQHUJNVLYWWWFV-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001128784520 828526691 /nfs/dbraw/zinc/52/66/91/828526691.db2.gz NQHUJNVLYWWWFV-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001128787253 828526766 /nfs/dbraw/zinc/52/67/66/828526766.db2.gz XWGKVDYLEVNIDE-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001128787253 828526769 /nfs/dbraw/zinc/52/67/69/828526769.db2.gz XWGKVDYLEVNIDE-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001128787254 828526806 /nfs/dbraw/zinc/52/68/06/828526806.db2.gz XWGKVDYLEVNIDE-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001128787254 828526809 /nfs/dbraw/zinc/52/68/09/828526809.db2.gz XWGKVDYLEVNIDE-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CCC1 ZINC001129357503 828604673 /nfs/dbraw/zinc/60/46/73/828604673.db2.gz MVBYXFWZUSZUKG-UHFFFAOYSA-N 1 3 332.470 -0.788 20 0 EBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363587 828604712 /nfs/dbraw/zinc/60/47/12/828604712.db2.gz KAQHDHWEMQXEQS-JSGCOSHPSA-N 1 3 326.441 -0.530 20 0 EBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363587 828604713 /nfs/dbraw/zinc/60/47/13/828604713.db2.gz KAQHDHWEMQXEQS-JSGCOSHPSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364309 828605868 /nfs/dbraw/zinc/60/58/68/828605868.db2.gz RWAGRYSHKHQBDT-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364309 828605872 /nfs/dbraw/zinc/60/58/72/828605872.db2.gz RWAGRYSHKHQBDT-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO CN1CC[C@@H](NCCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364119 828606356 /nfs/dbraw/zinc/60/63/56/828606356.db2.gz PJAIEMHDDBKSSN-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CC[C@@H](NCCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC001129364119 828606359 /nfs/dbraw/zinc/60/63/59/828606359.db2.gz PJAIEMHDDBKSSN-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1CC1 ZINC001129444330 828620669 /nfs/dbraw/zinc/62/06/69/828620669.db2.gz RMSBRVLMDLJCIX-ZDUSSCGKSA-N 1 3 334.486 -0.686 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129448598 828621524 /nfs/dbraw/zinc/62/15/24/828621524.db2.gz CHRYCBMSBFOQFD-AAEUAGOBSA-N 1 3 341.456 -0.345 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1)C1CCC1 ZINC001129535576 828632266 /nfs/dbraw/zinc/63/22/66/828632266.db2.gz XHZIZMRMMIKFQV-CVEARBPZSA-N 1 3 343.468 -0.267 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)C1CCC1 ZINC001129535574 828632342 /nfs/dbraw/zinc/63/23/42/828632342.db2.gz XGPRHJLJGXATPW-OAHLLOKOSA-N 1 3 343.468 -0.267 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129535357 828632402 /nfs/dbraw/zinc/63/24/02/828632402.db2.gz OGNWBDWICSHOOP-HIFRSBDPSA-N 1 3 340.468 -0.140 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129892422 828689051 /nfs/dbraw/zinc/68/90/51/828689051.db2.gz WTYFNRZYZBSFDB-ILXRZTDVSA-N 1 3 336.440 -0.658 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856114 828682681 /nfs/dbraw/zinc/68/26/81/828682681.db2.gz NXOBPBQVKKPPNY-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856114 828682684 /nfs/dbraw/zinc/68/26/84/828682684.db2.gz NXOBPBQVKKPPNY-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NCC(F)(F)F)[NH+](C)C ZINC001129947276 828698818 /nfs/dbraw/zinc/69/88/18/828698818.db2.gz RMYXHPCEFKQXFQ-NSHDSACASA-N 1 3 326.363 -0.043 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)N(C)C ZINC001129950208 828699761 /nfs/dbraw/zinc/69/97/61/828699761.db2.gz OLELIMMJCLITGR-HOCLYGCPSA-N 1 3 345.484 -0.165 20 0 EBADHO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130024625 828716274 /nfs/dbraw/zinc/71/62/74/828716274.db2.gz ZJKRISVHRKEMFO-CFVMTHIKSA-N 1 3 347.423 -0.254 20 0 EBADHO COCCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130095035 828731459 /nfs/dbraw/zinc/73/14/59/828731459.db2.gz YCSPQQFAIDCNIJ-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130107649 828732782 /nfs/dbraw/zinc/73/27/82/828732782.db2.gz TZTPSPVXFYKLEO-KFWWJZLASA-N 1 3 338.456 -0.004 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130107636 828733157 /nfs/dbraw/zinc/73/31/57/828733157.db2.gz SXNIKBDQQSDJQC-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189004 828751783 /nfs/dbraw/zinc/75/17/83/828751783.db2.gz LOSSEPZMBBTBAH-KBPBESRZSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130189004 828751785 /nfs/dbraw/zinc/75/17/85/828751785.db2.gz LOSSEPZMBBTBAH-KBPBESRZSA-N 1 3 346.497 -0.352 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001179650992 832997104 /nfs/dbraw/zinc/99/71/04/832997104.db2.gz AUPAFPOONWWFBH-AAEUAGOBSA-N 1 3 339.440 -0.508 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001114456415 826255769 /nfs/dbraw/zinc/25/57/69/826255769.db2.gz UJSYGUOLGQKSIH-ZSHCYNCHSA-N 1 3 337.464 -0.082 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179982733 833031513 /nfs/dbraw/zinc/03/15/13/833031513.db2.gz DUMCSTLIEKCEJQ-AGIUHOORSA-N 1 3 341.456 -0.249 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226776 833059651 /nfs/dbraw/zinc/05/96/51/833059651.db2.gz LPJHHCYFERAWET-KBPBESRZSA-N 1 3 348.513 -0.155 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115292009 826497077 /nfs/dbraw/zinc/49/70/77/826497077.db2.gz JDHIAGDXFOAXJR-QLPKVWCKSA-N 1 3 325.453 -0.082 20 0 EBADHO COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303282 826503061 /nfs/dbraw/zinc/50/30/61/826503061.db2.gz AIKOTIXDRRLEHJ-AIANPOQGSA-N 1 3 343.468 -0.603 20 0 EBADHO COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115303282 826503064 /nfs/dbraw/zinc/50/30/64/826503064.db2.gz AIKOTIXDRRLEHJ-AIANPOQGSA-N 1 3 343.468 -0.603 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001118268607 826893777 /nfs/dbraw/zinc/89/37/77/826893777.db2.gz SAYCADPOTBAYQM-UHFFFAOYSA-N 1 3 339.484 -0.673 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001118491461 826941293 /nfs/dbraw/zinc/94/12/93/826941293.db2.gz WFCRUSIYWFNEAO-SNPRPXQTSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119365650 827102853 /nfs/dbraw/zinc/10/28/53/827102853.db2.gz UNVCMKNRIHIIOD-KBPBESRZSA-N 1 3 339.484 -0.533 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001119945049 827164698 /nfs/dbraw/zinc/16/46/98/827164698.db2.gz CERZMBNLOHUUPO-SEBNEYGDSA-N 1 3 338.452 -0.770 20 0 EBADHO CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182624054 833249261 /nfs/dbraw/zinc/24/92/61/833249261.db2.gz XZYBGNKYUYQVJM-KGLIPLIRSA-N 1 3 344.481 -0.932 20 0 EBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670537 833251326 /nfs/dbraw/zinc/25/13/26/833251326.db2.gz QNDJJHYIHMDYKK-CHWSQXEVSA-N 1 3 336.440 -0.617 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866563 827969650 /nfs/dbraw/zinc/96/96/50/827969650.db2.gz FVAFYUHQDNMBFY-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229256 833284289 /nfs/dbraw/zinc/28/42/89/833284289.db2.gz GNUGLOAIFGFZBO-LLVKDONJSA-N 1 3 325.413 -0.883 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CCC1 ZINC001183240695 833284805 /nfs/dbraw/zinc/28/48/05/833284805.db2.gz PPUKODVZLNZGBD-HUUCEWRRSA-N 1 3 335.452 -0.081 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288726 833285855 /nfs/dbraw/zinc/28/58/55/833285855.db2.gz LYMYZVHESIBONW-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183392600 833289001 /nfs/dbraw/zinc/28/90/01/833289001.db2.gz YRSVFELDZFXJCH-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183392600 833289006 /nfs/dbraw/zinc/28/90/06/833289006.db2.gz YRSVFELDZFXJCH-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001183450329 833290867 /nfs/dbraw/zinc/29/08/67/833290867.db2.gz PIRKSRGHICETDB-TUAOUCFPSA-N 1 3 327.429 -0.654 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001127081778 828248838 /nfs/dbraw/zinc/24/88/38/828248838.db2.gz BIWRMSOBIIMYHA-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001127081778 828248845 /nfs/dbraw/zinc/24/88/45/828248845.db2.gz BIWRMSOBIIMYHA-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@H]1CCOC1 ZINC001127481180 828297655 /nfs/dbraw/zinc/29/76/55/828297655.db2.gz QOLDNERUQJECEK-UKRRQHHQSA-N 1 3 338.452 -0.813 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778458 828325146 /nfs/dbraw/zinc/32/51/46/828325146.db2.gz FJTDCHCLACHEER-QWHCGFSZSA-N 1 3 326.441 -0.530 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778458 828325156 /nfs/dbraw/zinc/32/51/56/828325156.db2.gz FJTDCHCLACHEER-QWHCGFSZSA-N 1 3 326.441 -0.530 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184857936 833341604 /nfs/dbraw/zinc/34/16/04/833341604.db2.gz BYOKKKLZEHEGHW-QLFBSQMISA-N 1 3 329.441 -0.705 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184867389 833341969 /nfs/dbraw/zinc/34/19/69/833341969.db2.gz DKTFYYAVWAQCTH-JHJVBQTASA-N 1 3 339.440 -0.495 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185222459 833350553 /nfs/dbraw/zinc/35/05/53/833350553.db2.gz WPAFESZCHFOQGN-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCc2cccnc2)C1 ZINC001185384953 833357188 /nfs/dbraw/zinc/35/71/88/833357188.db2.gz HWEKYXLSGYAIFL-OAHLLOKOSA-N 1 3 333.436 -0.160 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001185609079 833363057 /nfs/dbraw/zinc/36/30/57/833363057.db2.gz CRSIEBDPFODJJO-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)N(C)C ZINC001185715879 833367940 /nfs/dbraw/zinc/36/79/40/833367940.db2.gz KXSHEMFVHNACSL-OLZOCXBDSA-N 1 3 339.440 -0.495 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522152 829153596 /nfs/dbraw/zinc/15/35/96/829153596.db2.gz UPTRAMPKNVAUPV-DLOXAQCQSA-N 1 3 336.436 -0.824 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522152 829153603 /nfs/dbraw/zinc/15/36/03/829153603.db2.gz UPTRAMPKNVAUPV-DLOXAQCQSA-N 1 3 336.436 -0.824 20 0 EBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525648 829154683 /nfs/dbraw/zinc/15/46/83/829154683.db2.gz DGLCQHIWKHAUDJ-ZBUZPQQSSA-N 1 3 338.452 -0.530 20 0 EBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525648 829154688 /nfs/dbraw/zinc/15/46/88/829154688.db2.gz DGLCQHIWKHAUDJ-ZBUZPQQSSA-N 1 3 338.452 -0.530 20 0 EBADHO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CCN(CCO)C2)O1 ZINC001131694097 829188372 /nfs/dbraw/zinc/18/83/72/829188372.db2.gz UHCIRBJYCKYTJL-GOEBONIOSA-N 1 3 329.441 -0.751 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131798910 829223527 /nfs/dbraw/zinc/22/35/27/829223527.db2.gz DBJLIMLREYDUOJ-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186529746 833404683 /nfs/dbraw/zinc/40/46/83/833404683.db2.gz ATQVZSRGEZHCKY-CQSZACIVSA-N 1 3 340.468 -0.342 20 0 EBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616716 833410089 /nfs/dbraw/zinc/41/00/89/833410089.db2.gz XAQYZBGGRYMDSG-CQSZACIVSA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)CC1 ZINC001132995526 829568819 /nfs/dbraw/zinc/56/88/19/829568819.db2.gz WVOSMNYZHKJOLY-UHFFFAOYSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051822 829578712 /nfs/dbraw/zinc/57/87/12/829578712.db2.gz QEVGPEKNHGIVBE-UHFFFAOYSA-N 1 3 329.445 -0.484 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285947 829614587 /nfs/dbraw/zinc/61/45/87/829614587.db2.gz PMGAMHYQUDBCNA-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCCOc1ccccc1 ZINC001133291671 829616972 /nfs/dbraw/zinc/61/69/72/829616972.db2.gz VRSJVLZXHWGWBF-UHFFFAOYSA-N 1 3 336.436 -0.161 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001186816744 833430491 /nfs/dbraw/zinc/43/04/91/833430491.db2.gz GCSUFQMHEKGHFE-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001186816744 833430494 /nfs/dbraw/zinc/43/04/94/833430494.db2.gz GCSUFQMHEKGHFE-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133685355 829662037 /nfs/dbraw/zinc/66/20/37/829662037.db2.gz ULGHQOGQLBDHRN-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133823915 829679605 /nfs/dbraw/zinc/67/96/05/829679605.db2.gz SEUHABIQBNJJSP-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001133846367 829685048 /nfs/dbraw/zinc/68/50/48/829685048.db2.gz ZLGWRWJIMKSLAJ-NWDGAFQWSA-N 1 3 341.374 -0.026 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133851059 829687210 /nfs/dbraw/zinc/68/72/10/829687210.db2.gz VYOUUTBYIJJGEE-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133851059 829687214 /nfs/dbraw/zinc/68/72/14/829687214.db2.gz VYOUUTBYIJJGEE-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867205 829689816 /nfs/dbraw/zinc/68/98/16/829689816.db2.gz RODZIQMVVXQAAW-LSDHHAIUSA-N 1 3 342.484 -0.179 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867205 829689820 /nfs/dbraw/zinc/68/98/20/829689820.db2.gz RODZIQMVVXQAAW-LSDHHAIUSA-N 1 3 342.484 -0.179 20 0 EBADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001133896517 829695207 /nfs/dbraw/zinc/69/52/07/829695207.db2.gz LXRIFVCUDRUYPD-CYBMUJFWSA-N 1 3 331.482 -0.141 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896688 829695317 /nfs/dbraw/zinc/69/53/17/829695317.db2.gz OLKUCEHLTDTXNV-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908416 829697466 /nfs/dbraw/zinc/69/74/66/829697466.db2.gz QHMAKUHCHUXMMQ-LLVKDONJSA-N 1 3 329.445 -0.486 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021116 829713476 /nfs/dbraw/zinc/71/34/76/829713476.db2.gz RNWGXRDRGNUMGQ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134582979 829796874 /nfs/dbraw/zinc/79/68/74/829796874.db2.gz CMDUXYDTHXEZRG-VXGBXAGGSA-N 1 3 341.456 -0.201 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134766709 829840907 /nfs/dbraw/zinc/84/09/07/829840907.db2.gz LKBOLEIGAUHRLW-JKSUJKDBSA-N 1 3 345.484 -0.021 20 0 EBADHO CN(CCNCCNC(=O)CC1CC[NH+](C)CC1)S(C)(=O)=O ZINC001134780624 829845054 /nfs/dbraw/zinc/84/50/54/829845054.db2.gz OSGHJJGLWFKWSU-UHFFFAOYSA-N 1 3 334.486 -0.685 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001135511553 829978959 /nfs/dbraw/zinc/97/89/59/829978959.db2.gz SNSOYILZWBIMPH-CYBMUJFWSA-N 1 3 334.486 -0.685 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135512903 829979433 /nfs/dbraw/zinc/97/94/33/829979433.db2.gz BDBAXPMAXBCKSF-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146590953 830211611 /nfs/dbraw/zinc/21/16/11/830211611.db2.gz DXHFWXOTCYIFAY-RYUDHWBXSA-N 1 3 329.445 -0.345 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711355 830222500 /nfs/dbraw/zinc/22/25/00/830222500.db2.gz QNZBLQOLQHDSNY-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711355 830222508 /nfs/dbraw/zinc/22/25/08/830222508.db2.gz QNZBLQOLQHDSNY-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001146710727 830223232 /nfs/dbraw/zinc/22/32/32/830223232.db2.gz LYMYJDVRKFJRMQ-ZDUSSCGKSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001146710727 830223238 /nfs/dbraw/zinc/22/32/38/830223238.db2.gz LYMYJDVRKFJRMQ-ZDUSSCGKSA-N 1 3 343.472 -0.096 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001147841804 830419303 /nfs/dbraw/zinc/41/93/03/830419303.db2.gz IKVKIHSIKZGYAN-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H]1CCCC[C@H]1NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893966 830427349 /nfs/dbraw/zinc/42/73/49/830427349.db2.gz WEGLXNOKNQXVFU-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)C[C@H](C)O1 ZINC001147995061 830435479 /nfs/dbraw/zinc/43/54/79/830435479.db2.gz XMFUMCXIEBNLFZ-KBPBESRZSA-N 1 3 338.452 -0.576 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999610 830436852 /nfs/dbraw/zinc/43/68/52/830436852.db2.gz ABQHGQQCNWBNLI-UHFFFAOYSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@H]1CCCO1 ZINC001148000020 830437016 /nfs/dbraw/zinc/43/70/16/830437016.db2.gz IHDJNEOBZHAWNU-UONOGXRCSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CCCC[NH+](C)C)CCO1 ZINC001148365397 830475483 /nfs/dbraw/zinc/47/54/83/830475483.db2.gz OIVGFYCFNILVSX-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001148655181 830524355 /nfs/dbraw/zinc/52/43/55/830524355.db2.gz JMTMNSHARBDHAQ-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001149122853 830593136 /nfs/dbraw/zinc/59/31/36/830593136.db2.gz COYCMXBKVLKWTC-LBPRGKRZSA-N 1 3 328.438 -0.209 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001149889467 830777056 /nfs/dbraw/zinc/77/70/56/830777056.db2.gz OHPCEENIWBOSNC-QLFBSQMISA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001149889467 830777061 /nfs/dbraw/zinc/77/70/61/830777061.db2.gz OHPCEENIWBOSNC-QLFBSQMISA-N 1 3 331.457 -0.459 20 0 EBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291868 830858660 /nfs/dbraw/zinc/85/86/60/830858660.db2.gz PILSDJJARFWVTQ-OWCLPIDISA-N 1 3 345.484 -0.213 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001151058116 831018108 /nfs/dbraw/zinc/01/81/08/831018108.db2.gz WOQVJLAJRNTQNF-GJZGRUSLSA-N 1 3 338.452 -0.719 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001151058116 831018116 /nfs/dbraw/zinc/01/81/16/831018116.db2.gz WOQVJLAJRNTQNF-GJZGRUSLSA-N 1 3 338.452 -0.719 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073469 831022930 /nfs/dbraw/zinc/02/29/30/831022930.db2.gz LWJRKHICVWVBBB-RYUDHWBXSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073469 831022937 /nfs/dbraw/zinc/02/29/37/831022937.db2.gz LWJRKHICVWVBBB-RYUDHWBXSA-N 1 3 327.429 -0.733 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145620 831134343 /nfs/dbraw/zinc/13/43/43/831134343.db2.gz CRSOGUWUGHVHLJ-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001152340306 831154114 /nfs/dbraw/zinc/15/41/14/831154114.db2.gz LDPLGAQNSVRXBJ-HNNXBMFYSA-N 1 3 340.468 -0.137 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001152457685 831165389 /nfs/dbraw/zinc/16/53/89/831165389.db2.gz HBBAHAITZCXXBF-NWDGAFQWSA-N 1 3 327.429 -0.589 20 0 EBADHO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155822676 831433956 /nfs/dbraw/zinc/43/39/56/831433956.db2.gz XSEQEZDUOWSXIC-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CN(Cc1ncccn1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157682124 831585115 /nfs/dbraw/zinc/58/51/15/831585115.db2.gz WQGMXHFSEWACHM-KBPBESRZSA-N 1 3 348.451 -0.118 20 0 EBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720448 831588372 /nfs/dbraw/zinc/58/83/72/831588372.db2.gz JGEQXTSPNVGVTA-KGLIPLIRSA-N 1 3 327.425 -0.306 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@H](C[NH3+])[C@@H]2C)COC1(C)C ZINC001157841209 831596599 /nfs/dbraw/zinc/59/65/99/831596599.db2.gz FQQCQEFKVUQTIX-RVMXOQNASA-N 1 3 326.441 -0.117 20 0 EBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168492 831635347 /nfs/dbraw/zinc/63/53/47/831635347.db2.gz GNKYZCUZNJFDNL-GFCCVEGCSA-N 1 3 327.450 -0.492 20 0 EBADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001158235779 831639861 /nfs/dbraw/zinc/63/98/61/831639861.db2.gz QMZAEPHOTBYXLU-XEZPLFJOSA-N 1 3 327.425 -0.306 20 0 EBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)COCC(=O)N2 ZINC001158325490 831645985 /nfs/dbraw/zinc/64/59/85/831645985.db2.gz BTNCCGJGUNRSKY-CYBMUJFWSA-N 1 3 336.436 -0.632 20 0 EBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)COCC(=O)N2 ZINC001158325490 831645989 /nfs/dbraw/zinc/64/59/89/831645989.db2.gz BTNCCGJGUNRSKY-CYBMUJFWSA-N 1 3 336.436 -0.632 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319636 831646369 /nfs/dbraw/zinc/64/63/69/831646369.db2.gz KLGMMNXHDLZARP-LSDHHAIUSA-N 1 3 326.400 -0.165 20 0 EBADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001158430189 831655100 /nfs/dbraw/zinc/65/51/00/831655100.db2.gz DVRYTMYTYBYFGO-LBPRGKRZSA-N 1 3 336.396 -0.876 20 0 EBADHO [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@@H]2CF)CC1 ZINC001158567704 831666677 /nfs/dbraw/zinc/66/66/77/831666677.db2.gz KHVRJZNUVVXQRV-QJPTWQEYSA-N 1 3 345.440 -0.702 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103226 831709461 /nfs/dbraw/zinc/70/94/61/831709461.db2.gz MSOGPJMFKOZWMG-ZDUSSCGKSA-N 1 3 331.424 -0.421 20 0 EBADHO C[C@@H](N)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159124632 831710210 /nfs/dbraw/zinc/71/02/10/831710210.db2.gz OXRNTZBRCLJKEV-TZMCWYRMSA-N 1 3 336.440 -0.300 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](F)CN(CC)CC ZINC001159155094 831712049 /nfs/dbraw/zinc/71/20/49/831712049.db2.gz ISZNCELPMILAHO-LBPRGKRZSA-N 1 3 347.435 -0.392 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)CN(CC)CC ZINC001159155850 831712576 /nfs/dbraw/zinc/71/25/76/831712576.db2.gz UVNQQQLTNNRPGV-CQSZACIVSA-N 1 3 348.463 -0.085 20 0 EBADHO NC[C@H](N)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235933 831726479 /nfs/dbraw/zinc/72/64/79/831726479.db2.gz HWZQNPBUEFYUHR-ZDUSSCGKSA-N 1 3 329.408 -0.757 20 0 EBADHO CCOC[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])Cc2cnn(C)c21 ZINC001159402532 831750391 /nfs/dbraw/zinc/75/03/91/831750391.db2.gz HHBHYGRLCHXTAH-STQMWFEESA-N 1 3 341.481 -0.098 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436529 831752644 /nfs/dbraw/zinc/75/26/44/831752644.db2.gz QXUUJCOUNUIIET-QKPAOTATSA-N 1 3 335.448 -0.020 20 0 EBADHO N[C@@H](C[NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159574167 831761084 /nfs/dbraw/zinc/76/10/84/831761084.db2.gz OEWYLGNGKURNPQ-ZDUSSCGKSA-N 1 3 345.451 -0.496 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854639 831788566 /nfs/dbraw/zinc/78/85/66/831788566.db2.gz PGFODSZIZJZASL-CABCVRRESA-N 1 3 345.484 -0.021 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854724 831789275 /nfs/dbraw/zinc/78/92/75/831789275.db2.gz RSADWZMTTAIOLH-CQSZACIVSA-N 1 3 331.457 -0.410 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874610 831790758 /nfs/dbraw/zinc/79/07/58/831790758.db2.gz UIVHVMCHDZSCNU-WMLDXEAASA-N 1 3 348.451 -0.259 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427448 831847966 /nfs/dbraw/zinc/84/79/66/831847966.db2.gz RLNIGHDOSSLDBM-ZDUSSCGKSA-N 1 3 336.502 -0.392 20 0 EBADHO C[NH2+]CC1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CC1 ZINC001160459538 831853511 /nfs/dbraw/zinc/85/35/11/831853511.db2.gz NCXQIGCMWMYXHS-AAEUAGOBSA-N 1 3 326.441 -0.245 20 0 EBADHO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160597244 831868939 /nfs/dbraw/zinc/86/89/39/831868939.db2.gz RCXADDJDHZYXDE-QWHCGFSZSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160597244 831868946 /nfs/dbraw/zinc/86/89/46/831868946.db2.gz RCXADDJDHZYXDE-QWHCGFSZSA-N 1 3 325.409 -0.349 20 0 EBADHO N[C@H](C(=O)N1CCC(OCC(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC001160742514 831880935 /nfs/dbraw/zinc/88/09/35/831880935.db2.gz OMPDFARLXCPUNQ-INIZCTEOSA-N 1 3 338.452 -0.401 20 0 EBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160823490 831891991 /nfs/dbraw/zinc/89/19/91/831891991.db2.gz HGJRTNXIZKQEON-WCQYABFASA-N 1 3 333.392 -0.792 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001160882997 831903047 /nfs/dbraw/zinc/90/30/47/831903047.db2.gz DTVVPFILVDMGOS-UONOGXRCSA-N 1 3 348.513 -0.296 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)N(C)C ZINC001160889057 831904181 /nfs/dbraw/zinc/90/41/81/831904181.db2.gz AVRBFXPPESBMGK-CHWSQXEVSA-N 1 3 343.472 -0.985 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001160890141 831904186 /nfs/dbraw/zinc/90/41/86/831904186.db2.gz WGSKXZTVUBGPES-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001161158635 831933795 /nfs/dbraw/zinc/93/37/95/831933795.db2.gz ZFJPVNBBTLVYPM-RYUDHWBXSA-N 1 3 328.413 -0.935 20 0 EBADHO CC(C)C[C@H](NC(=O)CN)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381264 831951269 /nfs/dbraw/zinc/95/12/69/831951269.db2.gz WYCYDNCWEUWIHH-GJZGRUSLSA-N 1 3 339.484 -0.500 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476790 831962586 /nfs/dbraw/zinc/96/25/86/831962586.db2.gz DPJLADLOEHAMHV-RWSFTLGLSA-N 1 3 327.381 -0.980 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCC1=CCN(CCOCCO)CC1 ZINC001161699508 831983606 /nfs/dbraw/zinc/98/36/06/831983606.db2.gz RSQVBFZIHJCGBM-UHFFFAOYSA-N 1 3 343.468 -0.288 20 0 EBADHO CN(C(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001350657123 832182643 /nfs/dbraw/zinc/18/26/43/832182643.db2.gz BFHHSDXJCVPNQB-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001350780337 832193899 /nfs/dbraw/zinc/19/38/99/832193899.db2.gz QKOWJVWCMOSDDH-OAHLLOKOSA-N 1 3 340.468 -0.280 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C ZINC001166011153 832245898 /nfs/dbraw/zinc/24/58/98/832245898.db2.gz YJFSXIYNRQQUSW-GOEBONIOSA-N 1 3 342.484 -0.179 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634928 832275600 /nfs/dbraw/zinc/27/56/00/832275600.db2.gz YTCOGPNKUKLFET-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001166676900 832279278 /nfs/dbraw/zinc/27/92/78/832279278.db2.gz DTRSIHFSWLMJSG-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC(C)(C)C ZINC001166744039 832286330 /nfs/dbraw/zinc/28/63/30/832286330.db2.gz FAKZTWFVGQLKLX-UHFFFAOYSA-N 1 3 336.502 -0.391 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001352957179 832387238 /nfs/dbraw/zinc/38/72/38/832387238.db2.gz KCHKEKBRWGBSSG-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001168754792 832434140 /nfs/dbraw/zinc/43/41/40/832434140.db2.gz BTIPSTOBHCSVSU-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001171762785 832574751 /nfs/dbraw/zinc/57/47/51/832574751.db2.gz LBBOSWIMDBGSSV-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN)CCN1C(=O)c1ccccc1 ZINC001173490460 832585181 /nfs/dbraw/zinc/58/51/81/832585181.db2.gz LKHUPSVKDXDEPU-KKUMJFAQSA-N 1 3 335.404 -0.258 20 0 EBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)n(C)n1 ZINC001176095681 832657558 /nfs/dbraw/zinc/65/75/58/832657558.db2.gz HDPJIJADXHYTSM-ZDUSSCGKSA-N 1 3 336.440 -0.285 20 0 EBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)n(C)n1 ZINC001176095681 832657561 /nfs/dbraw/zinc/65/75/61/832657561.db2.gz HDPJIJADXHYTSM-ZDUSSCGKSA-N 1 3 336.440 -0.285 20 0 EBADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001178815594 832917145 /nfs/dbraw/zinc/91/71/45/832917145.db2.gz FUZZEQRERMQEHO-GFCCVEGCSA-N 1 3 329.445 -0.212 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(=O)NC(N)=O ZINC001179434912 832978388 /nfs/dbraw/zinc/97/83/88/832978388.db2.gz DCAGYSQIAYXXKE-SRVKXCTJSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@@H](NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187107072 833901267 /nfs/dbraw/zinc/90/12/67/833901267.db2.gz UHCFGWSRFWYHGM-UKRRQHHQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001187115777 833903259 /nfs/dbraw/zinc/90/32/59/833903259.db2.gz SKDFROUHSUDEID-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121830 833903780 /nfs/dbraw/zinc/90/37/80/833903780.db2.gz NEHDTSGZOURVRH-GFCCVEGCSA-N 1 3 337.424 -0.882 20 0 EBADHO O=C(CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NC(=O)NC1CC1 ZINC001187122236 833904351 /nfs/dbraw/zinc/90/43/51/833904351.db2.gz RFQIHGSNMFWTEK-CYBMUJFWSA-N 1 3 349.435 -0.739 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001187276636 833916166 /nfs/dbraw/zinc/91/61/66/833916166.db2.gz QFHDTHWSYCAWBH-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001187276636 833916172 /nfs/dbraw/zinc/91/61/72/833916172.db2.gz QFHDTHWSYCAWBH-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001187291407 833916394 /nfs/dbraw/zinc/91/63/94/833916394.db2.gz RCXBPEPEMYMUAI-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001187328145 833920498 /nfs/dbraw/zinc/92/04/98/833920498.db2.gz BRUAUECDMZCTGH-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818088 833971369 /nfs/dbraw/zinc/97/13/69/833971369.db2.gz NFYNRALEEQJQIX-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818088 833971374 /nfs/dbraw/zinc/97/13/74/833971374.db2.gz NFYNRALEEQJQIX-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818090 833971810 /nfs/dbraw/zinc/97/18/10/833971810.db2.gz NFYNRALEEQJQIX-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818090 833971816 /nfs/dbraw/zinc/97/18/16/833971816.db2.gz NFYNRALEEQJQIX-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188098785 834003488 /nfs/dbraw/zinc/00/34/88/834003488.db2.gz DWZMAEICJZPBTD-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145054 834013531 /nfs/dbraw/zinc/01/35/31/834013531.db2.gz CMNFAQOGDJASAZ-CHWSQXEVSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001188146162 834013818 /nfs/dbraw/zinc/01/38/18/834013818.db2.gz WOOVUNPMPVBHPA-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001189017988 834116645 /nfs/dbraw/zinc/11/66/45/834116645.db2.gz CTAWHRVCSAGJRX-JKSUJKDBSA-N 1 3 325.453 -0.130 20 0 EBADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489679 834889079 /nfs/dbraw/zinc/88/90/79/834889079.db2.gz ZNWFHNPRDXNTKT-HNNXBMFYSA-N 1 3 340.468 -0.280 20 0 EBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865951 835303011 /nfs/dbraw/zinc/30/30/11/835303011.db2.gz RJQBQXQIPOHLNA-HOTGVXAUSA-N 1 3 325.453 -0.130 20 0 EBADHO COC[C@H](O)CN1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865944 835303080 /nfs/dbraw/zinc/30/30/80/835303080.db2.gz RJQBQXQIPOHLNA-CVEARBPZSA-N 1 3 325.453 -0.130 20 0 EBADHO CS(=O)(=O)Cc1ncccc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001196059329 835339711 /nfs/dbraw/zinc/33/97/11/835339711.db2.gz VPKONWXNYUREIK-UHFFFAOYSA-N 1 3 327.410 -0.299 20 0 EBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251621 835380702 /nfs/dbraw/zinc/38/07/02/835380702.db2.gz MTIXEZHZBHXOEK-ARFHVFGLSA-N 1 3 343.468 -0.315 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197536651 835572542 /nfs/dbraw/zinc/57/25/42/835572542.db2.gz YNVXYRINXCKLKI-RBSFLKMASA-N 1 3 340.468 -0.594 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197536651 835572546 /nfs/dbraw/zinc/57/25/46/835572546.db2.gz YNVXYRINXCKLKI-RBSFLKMASA-N 1 3 340.468 -0.594 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788434 835861384 /nfs/dbraw/zinc/86/13/84/835861384.db2.gz QAHXSKYFRWOEFH-LBPRGKRZSA-N 1 3 325.413 -0.883 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788240 835861410 /nfs/dbraw/zinc/86/14/10/835861410.db2.gz MUUGKLWQBSWKTN-AWEZNQCLSA-N 1 3 346.497 -0.400 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200628036 835997361 /nfs/dbraw/zinc/99/73/61/835997361.db2.gz QUNVNEAABXSONV-UONOGXRCSA-N 1 3 346.447 -0.381 20 0 EBADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCOCCO)CC1 ZINC001200657773 836010255 /nfs/dbraw/zinc/01/02/55/836010255.db2.gz BCKZQBNMLFTATL-HOTGVXAUSA-N 1 3 341.452 -0.561 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688066 836014876 /nfs/dbraw/zinc/01/48/76/836014876.db2.gz KCTOECWZXRDLLV-HOCLYGCPSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200703279 836019323 /nfs/dbraw/zinc/01/93/23/836019323.db2.gz AXRUDAPRKVVJLU-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO NC(=O)CNC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200795176 836035592 /nfs/dbraw/zinc/03/55/92/836035592.db2.gz HGDUSYCCMYMYFY-CQSZACIVSA-N 1 3 338.452 -0.445 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038183 836083854 /nfs/dbraw/zinc/08/38/54/836083854.db2.gz UMALBNURDQYLDY-UHFFFAOYSA-N 1 3 339.440 -0.493 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCCO[C@@H](CN[C@@H]3CCNC3=O)C2)CC1 ZINC001201263278 836120023 /nfs/dbraw/zinc/12/00/23/836120023.db2.gz YICMCBCHSAFYOF-UONOGXRCSA-N 1 3 338.452 -0.576 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCCS(C)(=O)=O)C1 ZINC001201334179 836129687 /nfs/dbraw/zinc/12/96/87/836129687.db2.gz GRXCEVBRVSMECK-ZDUSSCGKSA-N 1 3 335.470 -0.810 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001201401982 836139775 /nfs/dbraw/zinc/13/97/75/836139775.db2.gz AGADTDPQTPRRNL-JKSUJKDBSA-N 1 3 343.468 -0.456 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001201401980 836139954 /nfs/dbraw/zinc/13/99/54/836139954.db2.gz AGADTDPQTPRRNL-HOTGVXAUSA-N 1 3 343.468 -0.456 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201403643 836140904 /nfs/dbraw/zinc/14/09/04/836140904.db2.gz NXUBNSGRLCEFHU-HOTGVXAUSA-N 1 3 343.468 -0.313 20 0 EBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)CCCO1 ZINC001201403431 836141133 /nfs/dbraw/zinc/14/11/33/836141133.db2.gz LOUPASBSFQHTRT-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001201412346 836143548 /nfs/dbraw/zinc/14/35/48/836143548.db2.gz ZJYMIYIQJIKKAU-CABCVRRESA-N 1 3 338.456 -0.175 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001201480668 836151180 /nfs/dbraw/zinc/15/11/80/836151180.db2.gz APQDMTZUWAECQU-OAHLLOKOSA-N 1 3 349.435 -0.315 20 0 EBADHO C[C@@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001201557041 836159692 /nfs/dbraw/zinc/15/96/92/836159692.db2.gz CCJJZNSLKYECHD-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201569098 836160396 /nfs/dbraw/zinc/16/03/96/836160396.db2.gz MOLFJROVDQKLPJ-DZGCQCFKSA-N 1 3 340.468 -0.201 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H](C)C(=O)NC)C1 ZINC001201808203 836194412 /nfs/dbraw/zinc/19/44/12/836194412.db2.gz BLVQHYGPVFMITQ-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H](C)C(=O)NC)C1 ZINC001201808203 836194415 /nfs/dbraw/zinc/19/44/15/836194415.db2.gz BLVQHYGPVFMITQ-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201925347 836215864 /nfs/dbraw/zinc/21/58/64/836215864.db2.gz ZGMQFHVMBMOYGJ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201925347 836215874 /nfs/dbraw/zinc/21/58/74/836215874.db2.gz ZGMQFHVMBMOYGJ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201930617 836218119 /nfs/dbraw/zinc/21/81/19/836218119.db2.gz FLXNZSDRSZVLSN-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201932148 836218439 /nfs/dbraw/zinc/21/84/39/836218439.db2.gz RZAHIWRUXXBSTF-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC001203010836 836383076 /nfs/dbraw/zinc/38/30/76/836383076.db2.gz WTAZVYYVDJLJAH-MRXNPFEDSA-N 1 3 345.484 -0.067 20 0 EBADHO CC1CCN(CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001203041859 836388617 /nfs/dbraw/zinc/38/86/17/836388617.db2.gz MFFQJSIQRNRFGM-UHFFFAOYSA-N 1 3 339.440 -0.506 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC001203459225 836433204 /nfs/dbraw/zinc/43/32/04/836433204.db2.gz APKBLGBDWMSMDG-MRXNPFEDSA-N 1 3 345.484 -0.067 20 0 EBADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001206653966 836666544 /nfs/dbraw/zinc/66/65/44/836666544.db2.gz QDGNHTMPZIGHBU-GFCCVEGCSA-N 1 3 341.456 -0.260 20 0 EBADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001206890479 836693852 /nfs/dbraw/zinc/69/38/52/836693852.db2.gz UADPJLKYDPNGNB-GFCCVEGCSA-N 1 3 341.456 -0.260 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001207685087 836845779 /nfs/dbraw/zinc/84/57/79/836845779.db2.gz WIDDELZOUHCYBR-QWHCGFSZSA-N 1 3 332.470 -0.790 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688735 836845888 /nfs/dbraw/zinc/84/58/88/836845888.db2.gz RYQYGSPCZAEFIQ-NWDGAFQWSA-N 1 3 325.413 -0.883 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208014640 836924429 /nfs/dbraw/zinc/92/44/29/836924429.db2.gz RVNSMRFMQDDJBU-STQMWFEESA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208014640 836924435 /nfs/dbraw/zinc/92/44/35/836924435.db2.gz RVNSMRFMQDDJBU-STQMWFEESA-N 1 3 339.440 -0.365 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340578 837001042 /nfs/dbraw/zinc/00/10/42/837001042.db2.gz MTTRHYBKIQIGAF-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208414774 837027077 /nfs/dbraw/zinc/02/70/77/837027077.db2.gz XMWBENJEDBMERH-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001209408575 837164430 /nfs/dbraw/zinc/16/44/30/837164430.db2.gz RWRYWIYXRZJFQK-CQSZACIVSA-N 1 3 331.482 -0.047 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001209447369 837167597 /nfs/dbraw/zinc/16/75/97/837167597.db2.gz ZIQJURMYFQWSLQ-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001209446738 837168176 /nfs/dbraw/zinc/16/81/76/837168176.db2.gz UPTXUSVOXFXWBE-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209835414 837203030 /nfs/dbraw/zinc/20/30/30/837203030.db2.gz ASXQXGINIKTTPA-AWEZNQCLSA-N 1 3 337.424 -0.315 20 0 EBADHO CNC(=O)CN[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210339913 837272737 /nfs/dbraw/zinc/27/27/37/837272737.db2.gz RRTYLWFXRMEFMB-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210493171 837290595 /nfs/dbraw/zinc/29/05/95/837290595.db2.gz IBEQFIZHRLWUOV-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210493171 837290605 /nfs/dbraw/zinc/29/06/05/837290605.db2.gz IBEQFIZHRLWUOV-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685424 837319742 /nfs/dbraw/zinc/31/97/42/837319742.db2.gz VTOASNYVFWNZFF-GFCCVEGCSA-N 1 3 337.424 -0.882 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001210743781 837328082 /nfs/dbraw/zinc/32/80/82/837328082.db2.gz LCJRHETZJWECDB-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210811316 837334075 /nfs/dbraw/zinc/33/40/75/837334075.db2.gz LMDGZQFGMIFKKZ-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001319534805 838145026 /nfs/dbraw/zinc/14/50/26/838145026.db2.gz UAKIOKNYPJFUMN-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001320780923 838836466 /nfs/dbraw/zinc/83/64/66/838836466.db2.gz DIEJZVKZJUNOKO-CYBMUJFWSA-N 1 3 336.436 -0.142 20 0 EBADHO C[C@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001322280729 839166590 /nfs/dbraw/zinc/16/65/90/839166590.db2.gz JTWKEDIHPSEYQO-CYBMUJFWSA-N 1 3 336.436 -0.332 20 0 EBADHO CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1C ZINC001322649328 839226430 /nfs/dbraw/zinc/22/64/30/839226430.db2.gz UXMWDOAILBIXKF-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO CCO[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001325689904 839912811 /nfs/dbraw/zinc/91/28/11/839912811.db2.gz ZRLRJSQBGOVKKN-OKILXGFUSA-N 1 3 328.457 -0.378 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001326044508 840014417 /nfs/dbraw/zinc/01/44/17/840014417.db2.gz DJMQHOAVJRHUMP-UHFFFAOYSA-N 1 3 340.468 -0.591 20 0 EBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001327532287 840446533 /nfs/dbraw/zinc/44/65/33/840446533.db2.gz LIUPJOKOMNKTQO-VNHYZAJKSA-N 1 3 336.436 -0.966 20 0 EBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001329841384 841037935 /nfs/dbraw/zinc/03/79/35/841037935.db2.gz DQXXUIPPGSBPTK-OCCSQVGLSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330568292 841237544 /nfs/dbraw/zinc/23/75/44/841237544.db2.gz SAIFIFHYKSQHGX-UONOGXRCSA-N 1 3 337.468 -0.827 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001330918868 841295798 /nfs/dbraw/zinc/29/57/98/841295798.db2.gz UAGJCPIEZYLPSB-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331104149 841336237 /nfs/dbraw/zinc/33/62/37/841336237.db2.gz QBSAKQGWUFQEOV-TZMCWYRMSA-N 1 3 326.441 -0.401 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC001331150660 841356354 /nfs/dbraw/zinc/35/63/54/841356354.db2.gz UKFNAURLOJQQSM-UHFFFAOYSA-N 1 3 327.473 -0.626 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331616907 841440752 /nfs/dbraw/zinc/44/07/52/841440752.db2.gz DYSRTYABLRQPNN-HUUCEWRRSA-N 1 3 339.484 -0.484 20 0 EBADHO CC(C)NC(=O)NCCN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331710918 841465837 /nfs/dbraw/zinc/46/58/37/841465837.db2.gz DKNNYFFOEKCSMU-HZSPNIEDSA-N 1 3 343.472 -0.899 20 0 EBADHO CC(C)NC(=O)NCCN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001331710918 841465841 /nfs/dbraw/zinc/46/58/41/841465841.db2.gz DKNNYFFOEKCSMU-HZSPNIEDSA-N 1 3 343.472 -0.899 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001331850785 841519659 /nfs/dbraw/zinc/51/96/59/841519659.db2.gz AHDMXKYYHVUOPS-HNNXBMFYSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332608947 841687409 /nfs/dbraw/zinc/68/74/09/841687409.db2.gz ZIKFBTUTHGXEFZ-HUUCEWRRSA-N 1 3 338.456 -0.439 20 0 EBADHO CCOCC[C@H](O)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333528971 841900860 /nfs/dbraw/zinc/90/08/60/841900860.db2.gz KCVSJSZUFRZROL-JYJNAYRXSA-N 1 3 340.468 -0.006 20 0 EBADHO C[NH2+]CCCN(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333566726 841906997 /nfs/dbraw/zinc/90/69/97/841906997.db2.gz NRFJDVFGJJCXRE-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333626998 841919050 /nfs/dbraw/zinc/91/90/50/841919050.db2.gz UWFSGMZISKNECJ-KGLIPLIRSA-N 1 3 327.473 -0.770 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001334387522 842046905 /nfs/dbraw/zinc/04/69/05/842046905.db2.gz RSFPTAHDKLPNBV-HNNXBMFYSA-N 1 3 339.484 -0.720 20 0 EBADHO C[N@@H+]1CC[C@](O)(CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001336003559 842382506 /nfs/dbraw/zinc/38/25/06/842382506.db2.gz WEAMPOVEBUVDTH-SJCJKPOMSA-N 1 3 333.388 -0.700 20 0 EBADHO C[N@H+]1CC[C@](O)(CNC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001336003559 842382519 /nfs/dbraw/zinc/38/25/19/842382519.db2.gz WEAMPOVEBUVDTH-SJCJKPOMSA-N 1 3 333.388 -0.700 20 0 EBADHO CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001336318181 842437319 /nfs/dbraw/zinc/43/73/19/842437319.db2.gz DKWPKAIOTGGLSR-KBPBESRZSA-N 1 3 328.457 -0.426 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)CC1 ZINC001336682667 842535348 /nfs/dbraw/zinc/53/53/48/842535348.db2.gz DGXLSZIKBJGUIP-NUEKZKHPSA-N 1 3 349.479 -0.766 20 0 EBADHO OC[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)[C@@H]1CO ZINC001336796407 842543367 /nfs/dbraw/zinc/54/33/67/842543367.db2.gz FECVAXULBFAQMA-FARXYOCPSA-N 1 3 342.480 -0.327 20 0 EBADHO OC[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](CO)[C@H]2CO)[C@@H]1CO ZINC001336796407 842543370 /nfs/dbraw/zinc/54/33/70/842543370.db2.gz FECVAXULBFAQMA-FARXYOCPSA-N 1 3 342.480 -0.327 20 0 EBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001340075171 842968745 /nfs/dbraw/zinc/96/87/45/842968745.db2.gz MZGXVQHPZNAIAV-RDBSUJKOSA-N 1 3 328.457 -0.738 20 0 EBADHO CN1CCN(Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCN3C)c2)CC1 ZINC001340118199 842972555 /nfs/dbraw/zinc/97/25/55/842972555.db2.gz GNLXOQMKDNCDCV-SFHVURJKSA-N 1 3 345.491 -0.046 20 0 EBADHO C[C@@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)CN1CCN(C)CC1 ZINC001343451771 843238478 /nfs/dbraw/zinc/23/84/78/843238478.db2.gz GJGWURNSNYBPFD-LSDHHAIUSA-N 1 3 339.484 -0.817 20 0 EBADHO Cc1noc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC001345570821 843408179 /nfs/dbraw/zinc/40/81/79/843408179.db2.gz JTUMOJSDDFPFKD-LLVKDONJSA-N 1 3 340.428 -0.493 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC001347075547 843588660 /nfs/dbraw/zinc/58/86/60/843588660.db2.gz SRNBOUZUSBKCLF-NWDGAFQWSA-N 1 3 348.407 -1.000 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC001347075547 843588663 /nfs/dbraw/zinc/58/86/63/843588663.db2.gz SRNBOUZUSBKCLF-NWDGAFQWSA-N 1 3 348.407 -1.000 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)CCO1 ZINC001691365283 1125854327 /nfs/dbraw/zinc/85/43/27/1125854327.db2.gz VNZJJBHEUVTYHK-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CCCCN2C)CCO1 ZINC001691365284 1125854341 /nfs/dbraw/zinc/85/43/41/1125854341.db2.gz VNZJJBHEUVTYHK-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001496207782 1125890336 /nfs/dbraw/zinc/89/03/36/1125890336.db2.gz RGYBWEPGDXBISC-VXGBXAGGSA-N 1 3 327.429 -0.685 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(=O)NC ZINC001481238303 1125949900 /nfs/dbraw/zinc/94/99/00/1125949900.db2.gz PIXPJOYDGMYRRP-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(=O)NC ZINC001481238303 1125949901 /nfs/dbraw/zinc/94/99/01/1125949901.db2.gz PIXPJOYDGMYRRP-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001482296855 1126122277 /nfs/dbraw/zinc/12/22/77/1126122277.db2.gz AGYUOISEBXUSKX-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001482355350 1126137267 /nfs/dbraw/zinc/13/72/67/1126137267.db2.gz FJCXFYBJXQRFMV-VXGBXAGGSA-N 1 3 329.445 -0.391 20 0 EBADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)NC(N)=O ZINC001482495772 1126185139 /nfs/dbraw/zinc/18/51/39/1126185139.db2.gz RJLXMSRFGSIWGL-NWDGAFQWSA-N 1 3 327.429 -0.650 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001482730820 1126261702 /nfs/dbraw/zinc/26/17/02/1126261702.db2.gz HJUITHPKASQECS-HZSPNIEDSA-N 1 3 342.484 -0.302 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001482730820 1126261727 /nfs/dbraw/zinc/26/17/27/1126261727.db2.gz HJUITHPKASQECS-HZSPNIEDSA-N 1 3 342.484 -0.302 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001482730821 1126261948 /nfs/dbraw/zinc/26/19/48/1126261948.db2.gz HJUITHPKASQECS-MELADBBJSA-N 1 3 342.484 -0.302 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001482730821 1126261950 /nfs/dbraw/zinc/26/19/50/1126261950.db2.gz HJUITHPKASQECS-MELADBBJSA-N 1 3 342.484 -0.302 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001482840095 1126297377 /nfs/dbraw/zinc/29/73/77/1126297377.db2.gz QQKWHAZSTVNWOJ-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555821 1126321244 /nfs/dbraw/zinc/32/12/44/1126321244.db2.gz KUSIRZNBCGRSQG-OLZOCXBDSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049937 1126323002 /nfs/dbraw/zinc/32/30/02/1126323002.db2.gz CHYMYSYAVPFKMW-MOPGSBIESA-N 1 3 336.436 -0.216 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483049937 1126323003 /nfs/dbraw/zinc/32/30/03/1126323003.db2.gz CHYMYSYAVPFKMW-MOPGSBIESA-N 1 3 336.436 -0.216 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001493546520 1126467091 /nfs/dbraw/zinc/46/70/91/1126467091.db2.gz OZSGGFXXOXKIBU-VXGBXAGGSA-N 1 3 327.429 -0.509 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001493546520 1126467092 /nfs/dbraw/zinc/46/70/92/1126467092.db2.gz OZSGGFXXOXKIBU-VXGBXAGGSA-N 1 3 327.429 -0.509 20 0 EBADHO CN(CCNCC(=O)N1CCOCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493548928 1126478524 /nfs/dbraw/zinc/47/85/24/1126478524.db2.gz BBOJYNMMAKGYIJ-HNNXBMFYSA-N 1 3 338.452 -0.765 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001483793688 1126478061 /nfs/dbraw/zinc/47/80/61/1126478061.db2.gz LBXPETMWXXVVTG-CYBMUJFWSA-N 1 3 336.436 -0.094 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001483955446 1126493231 /nfs/dbraw/zinc/49/32/31/1126493231.db2.gz IJDJXIVVABWSRZ-ZDUSSCGKSA-N 1 3 339.440 -0.492 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001483955871 1126493312 /nfs/dbraw/zinc/49/33/12/1126493312.db2.gz UQMXUUXTYKVKFH-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484242694 1126538924 /nfs/dbraw/zinc/53/89/24/1126538924.db2.gz KZLTXTAZWHHZBC-PBHICJAKSA-N 1 3 340.468 -0.594 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484514483 1126600767 /nfs/dbraw/zinc/60/07/67/1126600767.db2.gz ZVBJBGUSNRVUNB-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NCCCS(C)(=O)=O)C1 ZINC001484848528 1126641833 /nfs/dbraw/zinc/64/18/33/1126641833.db2.gz XODDBLQWUKVDCP-HNNXBMFYSA-N 1 3 349.497 -0.684 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC001484908837 1126652703 /nfs/dbraw/zinc/65/27/03/1126652703.db2.gz BLNYRHNDOAYOHT-GJZGRUSLSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001484917837 1126653211 /nfs/dbraw/zinc/65/32/11/1126653211.db2.gz BAAJVINIUYZIFG-ZDUSSCGKSA-N 1 3 341.456 -0.262 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCn2cccn2)CC1 ZINC001484950365 1126654817 /nfs/dbraw/zinc/65/48/17/1126654817.db2.gz YRKRKEPDPAPCPU-HNNXBMFYSA-N 1 3 335.452 -0.080 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC001485021164 1126663931 /nfs/dbraw/zinc/66/39/31/1126663931.db2.gz JZQOTFXXTJFNRU-KBPBESRZSA-N 1 3 333.448 -0.010 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648470 1126776728 /nfs/dbraw/zinc/77/67/28/1126776728.db2.gz AJDVNBBEIGRRPS-HUUCEWRRSA-N 1 3 338.456 -0.176 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485921956 1126916564 /nfs/dbraw/zinc/91/65/64/1126916564.db2.gz FPRPOVZFBMAPQL-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485921956 1126916568 /nfs/dbraw/zinc/91/65/68/1126916568.db2.gz FPRPOVZFBMAPQL-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062617 1127012832 /nfs/dbraw/zinc/01/28/32/1127012832.db2.gz XMUFIXOSKNEENK-STQMWFEESA-N 1 3 343.472 -0.898 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062617 1127012836 /nfs/dbraw/zinc/01/28/36/1127012836.db2.gz XMUFIXOSKNEENK-STQMWFEESA-N 1 3 343.472 -0.898 20 0 EBADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131093 1127043128 /nfs/dbraw/zinc/04/31/28/1127043128.db2.gz POXNNUJEYNXQKC-STQMWFEESA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC001486124227 1127042131 /nfs/dbraw/zinc/04/21/31/1127042131.db2.gz NGTWFKZCIKHAMJ-DGCLKSJQSA-N 1 3 348.407 -0.527 20 0 EBADHO COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001410094360 1127556391 /nfs/dbraw/zinc/55/63/91/1127556391.db2.gz YXXIUOUCRSJXGS-YHUYYLMFSA-N 1 3 325.453 -0.228 20 0 EBADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001410094360 1127556396 /nfs/dbraw/zinc/55/63/96/1127556396.db2.gz YXXIUOUCRSJXGS-YHUYYLMFSA-N 1 3 325.453 -0.228 20 0 EBADHO CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144255 1127607367 /nfs/dbraw/zinc/60/73/67/1127607367.db2.gz BYHQQWBHWWYSOZ-KGLIPLIRSA-N 1 3 340.468 -0.330 20 0 EBADHO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001411039179 1127983713 /nfs/dbraw/zinc/98/37/13/1127983713.db2.gz GCAVSIBXWQGHMO-KBPBESRZSA-N 1 3 340.468 -0.500 20 0 EBADHO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001411039186 1127984105 /nfs/dbraw/zinc/98/41/05/1127984105.db2.gz GCAVSIBXWQGHMO-UONOGXRCSA-N 1 3 340.468 -0.500 20 0 EBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001411093478 1128013393 /nfs/dbraw/zinc/01/33/93/1128013393.db2.gz ILNWMBXOURHFAK-STQMWFEESA-N 1 3 330.473 -0.350 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001411147322 1128040694 /nfs/dbraw/zinc/04/06/94/1128040694.db2.gz PBNPXRYPUPHPRU-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001411147322 1128040699 /nfs/dbraw/zinc/04/06/99/1128040699.db2.gz PBNPXRYPUPHPRU-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC[C@H]1CCCO1 ZINC001187835003 1128355845 /nfs/dbraw/zinc/35/58/45/1128355845.db2.gz MSAKXNHMEFZXLC-HUUCEWRRSA-N 1 3 338.452 -0.432 20 0 EBADHO CN(C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)Cc1c[nH]cn1 ZINC001488414160 1128748618 /nfs/dbraw/zinc/74/86/18/1128748618.db2.gz QVAFOSNKRHFWFT-CABCVRRESA-N 1 3 349.435 -0.771 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001691742666 1129715236 /nfs/dbraw/zinc/71/52/36/1129715236.db2.gz FXPMCZSPIIOWKE-MCIONIFRSA-N 1 3 346.497 -0.638 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001490928301 1130266543 /nfs/dbraw/zinc/26/65/43/1130266543.db2.gz LOXYVOIHNURYSL-RNJOBUHISA-N 1 3 339.440 -0.591 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001490953989 1130272419 /nfs/dbraw/zinc/27/24/19/1130272419.db2.gz CJXJNUYQMKGHGW-JHJVBQTASA-N 1 3 332.408 -0.396 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001490953989 1130272421 /nfs/dbraw/zinc/27/24/21/1130272421.db2.gz CJXJNUYQMKGHGW-JHJVBQTASA-N 1 3 332.408 -0.396 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491061500 1130308439 /nfs/dbraw/zinc/30/84/39/1130308439.db2.gz LVTSEMGUYNMCPZ-XQQFMLRXSA-N 1 3 339.440 -0.319 20 0 EBADHO CC[C@@H](C(=O)NC1CCC([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001491364006 1130410698 /nfs/dbraw/zinc/41/06/98/1130410698.db2.gz MGVIYXHLKBBHDO-RUXDESIVSA-N 1 3 348.513 -0.107 20 0 EBADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477833 1130462273 /nfs/dbraw/zinc/46/22/73/1130462273.db2.gz MORAGPRRUSCTNK-WCQYABFASA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477833 1130462279 /nfs/dbraw/zinc/46/22/79/1130462279.db2.gz MORAGPRRUSCTNK-WCQYABFASA-N 1 3 339.440 -0.317 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001492074321 1130579608 /nfs/dbraw/zinc/57/96/08/1130579608.db2.gz BIEDXQYSQPUIKH-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001480680660 1132957324 /nfs/dbraw/zinc/95/73/24/1132957324.db2.gz WGRZVYGYYZBFGT-ZDUSSCGKSA-N 1 3 337.424 -0.928 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001366133781 1133021393 /nfs/dbraw/zinc/02/13/93/1133021393.db2.gz YTWNCAHHCJCGEH-IHRRRGAJSA-N 1 3 331.482 0.000 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001366173009 1133039138 /nfs/dbraw/zinc/03/91/38/1133039138.db2.gz SHUCWTWTICWKFI-LJISPDSOSA-N 1 3 340.468 -0.453 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001366276221 1133080332 /nfs/dbraw/zinc/08/03/32/1133080332.db2.gz KGMGPNGKPGHMFS-ZIAGYGMSSA-N 1 3 325.457 -0.021 20 0 EBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCCN1CCCS1(=O)=O ZINC001366340876 1133105112 /nfs/dbraw/zinc/10/51/12/1133105112.db2.gz GMAGIFCHXYKCBS-ZDUSSCGKSA-N 1 3 344.481 -0.788 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001366346472 1133106583 /nfs/dbraw/zinc/10/65/83/1133106583.db2.gz MUSJLXZACWGVHC-KBPBESRZSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)N(C)C ZINC001366380316 1133119805 /nfs/dbraw/zinc/11/98/05/1133119805.db2.gz FAOIOZBWFGKQBA-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001366779388 1133295406 /nfs/dbraw/zinc/29/54/06/1133295406.db2.gz WVOUKQJMXQDFHC-YPMHNXCESA-N 1 3 341.456 -0.249 20 0 EBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366899174 1133351890 /nfs/dbraw/zinc/35/18/90/1133351890.db2.gz ZSSYWYDEVCTDMV-XHSDSOJGSA-N 1 3 325.453 -0.084 20 0 EBADHO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001367358918 1133561850 /nfs/dbraw/zinc/56/18/50/1133561850.db2.gz NIOFBVYOVYBYBX-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433792 1133588808 /nfs/dbraw/zinc/58/88/08/1133588808.db2.gz FKTFOGRTVNWUSF-NWDGAFQWSA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001367471895 1133596909 /nfs/dbraw/zinc/59/69/09/1133596909.db2.gz HRSNOQCVGQZLJL-CYBMUJFWSA-N 1 3 341.456 -0.343 20 0 EBADHO CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001367592562 1133664913 /nfs/dbraw/zinc/66/49/13/1133664913.db2.gz RLDPARPTMQPZMB-BPLDGKMQSA-N 1 3 340.468 -0.596 20 0 EBADHO CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001367592562 1133664914 /nfs/dbraw/zinc/66/49/14/1133664914.db2.gz RLDPARPTMQPZMB-BPLDGKMQSA-N 1 3 340.468 -0.596 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001367601265 1133677775 /nfs/dbraw/zinc/67/77/75/1133677775.db2.gz MHJKPLLALSQAPW-CQSZACIVSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001367675079 1133741368 /nfs/dbraw/zinc/74/13/68/1133741368.db2.gz GSRROFFJGFLEKQ-FMKPAKJESA-N 1 3 342.484 -0.086 20 0 EBADHO C[C@@H]1CN(C(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913515 1133838144 /nfs/dbraw/zinc/83/81/44/1133838144.db2.gz RECGZADMMLPSOD-UKRRQHHQSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCOCC1 ZINC001368242538 1134012696 /nfs/dbraw/zinc/01/26/96/1134012696.db2.gz WNVHRNGYYFLZFK-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C1(C(=O)N(CCO)CC[NH2+][C@@H]2CCCN(C)C2=O)CCC1 ZINC001368394424 1134197059 /nfs/dbraw/zinc/19/70/59/1134197059.db2.gz GUVDUFQWOVWIDB-CQSZACIVSA-N 1 3 340.468 -0.498 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNCC(=O)N2CCCC2)C1 ZINC001368504137 1134256826 /nfs/dbraw/zinc/25/68/26/1134256826.db2.gz JIAHZVIRNYTWQL-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001368505982 1134258280 /nfs/dbraw/zinc/25/82/80/1134258280.db2.gz CPGSMJNBEHKMSI-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368518250 1134269872 /nfs/dbraw/zinc/26/98/72/1134269872.db2.gz SJIFZEORNAUYCG-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578322 1134301259 /nfs/dbraw/zinc/30/12/59/1134301259.db2.gz JMLIIFMGYVFAEV-KBPBESRZSA-N 1 3 340.468 -0.058 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001368678580 1134375729 /nfs/dbraw/zinc/37/57/29/1134375729.db2.gz KCCAYRVQSYJBKF-CQSZACIVSA-N 1 3 338.452 -0.744 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001368685458 1134383980 /nfs/dbraw/zinc/38/39/80/1134383980.db2.gz HYGHDMNEFGUKSA-HZSPNIEDSA-N 1 3 340.468 -0.466 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001368685458 1134383987 /nfs/dbraw/zinc/38/39/87/1134383987.db2.gz HYGHDMNEFGUKSA-HZSPNIEDSA-N 1 3 340.468 -0.466 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001368684739 1134384530 /nfs/dbraw/zinc/38/45/30/1134384530.db2.gz GTDPZNFRCBFUQN-ZIAGYGMSSA-N 1 3 338.452 -0.568 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001368684739 1134384538 /nfs/dbraw/zinc/38/45/38/1134384538.db2.gz GTDPZNFRCBFUQN-ZIAGYGMSSA-N 1 3 338.452 -0.568 20 0 EBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001368718425 1134405314 /nfs/dbraw/zinc/40/53/14/1134405314.db2.gz PRMGBSPBIBTTNA-QWRGUYRKSA-N 1 3 327.429 -0.462 20 0 EBADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001368908693 1134481937 /nfs/dbraw/zinc/48/19/37/1134481937.db2.gz RSVCWNRDLACWHH-NWDGAFQWSA-N 1 3 343.472 -0.016 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001369229661 1134624730 /nfs/dbraw/zinc/62/47/30/1134624730.db2.gz PEZYWRRULQNRBI-RYUDHWBXSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001369248767 1134629432 /nfs/dbraw/zinc/62/94/32/1134629432.db2.gz BSDUKFPNERLVMX-QWRGUYRKSA-N 1 3 327.429 -0.509 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CCS(=O)(=O)CC1)N(C)C ZINC001369364950 1134720054 /nfs/dbraw/zinc/72/00/54/1134720054.db2.gz OHPHPJAZLGDJHL-KBPBESRZSA-N 1 3 349.497 -0.782 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369375931 1134733120 /nfs/dbraw/zinc/73/31/20/1134733120.db2.gz RGGXXPPDXQWKQW-KBPBESRZSA-N 1 3 328.457 -0.690 20 0 EBADHO C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369391823 1134752327 /nfs/dbraw/zinc/75/23/27/1134752327.db2.gz NGOXFCPYPXLWAN-WDEREUQCSA-N 1 3 325.413 -0.898 20 0 EBADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001369420695 1134772340 /nfs/dbraw/zinc/77/23/40/1134772340.db2.gz LCMWXHUCNPNOPH-RYUDHWBXSA-N 1 3 339.440 -0.460 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)(C)C1)N(C)C ZINC001369435620 1134778556 /nfs/dbraw/zinc/77/85/56/1134778556.db2.gz HDVNYRJXKLLQAL-NWDGAFQWSA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472764 1134829518 /nfs/dbraw/zinc/82/95/18/1134829518.db2.gz LDGJKHHMOLPKJH-STQMWFEESA-N 1 3 326.441 -0.842 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477701 1134840330 /nfs/dbraw/zinc/84/03/30/1134840330.db2.gz VWLUELZHMPGENV-WBMJQRKESA-N 1 3 346.447 -0.646 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001369477701 1134840337 /nfs/dbraw/zinc/84/03/37/1134840337.db2.gz VWLUELZHMPGENV-WBMJQRKESA-N 1 3 346.447 -0.646 20 0 EBADHO COc1cc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001369478472 1134841576 /nfs/dbraw/zinc/84/15/76/1134841576.db2.gz CPENUEQQKWAONM-LSDHHAIUSA-N 1 3 336.436 -0.049 20 0 EBADHO COc1cc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001369478472 1134841583 /nfs/dbraw/zinc/84/15/83/1134841583.db2.gz CPENUEQQKWAONM-LSDHHAIUSA-N 1 3 336.436 -0.049 20 0 EBADHO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001369484411 1134853299 /nfs/dbraw/zinc/85/32/99/1134853299.db2.gz QBWJMMWXKGZGFY-CZUORRHYSA-N 1 3 337.468 -0.021 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@H](NCC(=O)N1CCOCC1)C1CC1 ZINC001370210579 1135251582 /nfs/dbraw/zinc/25/15/82/1135251582.db2.gz DLTPOANZMXFRSH-AWEZNQCLSA-N 1 3 326.441 -0.719 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001370523886 1135391393 /nfs/dbraw/zinc/39/13/93/1135391393.db2.gz QGQWBKGZSCLCGC-AVGNSLFASA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001370649544 1135452360 /nfs/dbraw/zinc/45/23/60/1135452360.db2.gz MOSPHQQPCAVIKQ-WISYIIOYSA-N 1 3 327.429 -0.593 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370674559 1135481109 /nfs/dbraw/zinc/48/11/09/1135481109.db2.gz PQDNSNHYZAUOHB-MBNYWOFBSA-N 1 3 341.456 -0.345 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370705144 1135522959 /nfs/dbraw/zinc/52/29/59/1135522959.db2.gz CIBSLCMXFZSOKH-CABCVRRESA-N 1 3 340.468 -0.737 20 0 EBADHO CC[C@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370727313 1135555015 /nfs/dbraw/zinc/55/50/15/1135555015.db2.gz SAFTUUSTFYTDAA-UONOGXRCSA-N 1 3 328.457 -0.738 20 0 EBADHO CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370727315 1135555243 /nfs/dbraw/zinc/55/52/43/1135555243.db2.gz SAFTUUSTFYTDAA-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001370783803 1135628583 /nfs/dbraw/zinc/62/85/83/1135628583.db2.gz ZGEKXQPOWGPSPM-GFCCVEGCSA-N 1 3 337.424 -0.804 20 0 EBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001371197788 1135862502 /nfs/dbraw/zinc/86/25/02/1135862502.db2.gz CCIZPARZSVEWHT-QWHCGFSZSA-N 1 3 331.482 0.000 20 0 EBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001371205435 1135864286 /nfs/dbraw/zinc/86/42/86/1135864286.db2.gz SXDWBOJECAKAKJ-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO CN(CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C1CCC1 ZINC001371510774 1135941207 /nfs/dbraw/zinc/94/12/07/1135941207.db2.gz SCKZEUCNVIROKL-GOEBONIOSA-N 1 3 335.452 -0.081 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001371543923 1135964813 /nfs/dbraw/zinc/96/48/13/1135964813.db2.gz SAEWQPGQYYKSQQ-KGLIPLIRSA-N 1 3 342.484 -0.254 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001371543923 1135964815 /nfs/dbraw/zinc/96/48/15/1135964815.db2.gz SAEWQPGQYYKSQQ-KGLIPLIRSA-N 1 3 342.484 -0.254 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001371579039 1135974923 /nfs/dbraw/zinc/97/49/23/1135974923.db2.gz IQHJCBNCURJZNG-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001372941005 1136332401 /nfs/dbraw/zinc/33/24/01/1136332401.db2.gz MWGDAHNGUQIVKU-YPMHNXCESA-N 1 3 339.440 -0.780 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001373356864 1136433838 /nfs/dbraw/zinc/43/38/38/1136433838.db2.gz RXDACBDHRFYRPI-AGIUHOORSA-N 1 3 341.456 -0.249 20 0 EBADHO CN(CCNC(=O)COC1CC[NH+](C)CC1)C(=O)Cc1c[nH]cn1 ZINC001373638494 1136522319 /nfs/dbraw/zinc/52/23/19/1136522319.db2.gz NJBGTRISGOGFNI-UHFFFAOYSA-N 1 3 337.424 -0.362 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889120 1136581296 /nfs/dbraw/zinc/58/12/96/1136581296.db2.gz NHSUCTWIYAOBLD-MEDUHNTESA-N 1 3 339.440 -0.602 20 0 EBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001373966191 1136595114 /nfs/dbraw/zinc/59/51/14/1136595114.db2.gz OAKKDPIBPXKEPF-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001374247739 1136657586 /nfs/dbraw/zinc/65/75/86/1136657586.db2.gz UGQHNDSFJBFBMU-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001374354844 1136677778 /nfs/dbraw/zinc/67/77/78/1136677778.db2.gz TVAMVYZJOCVOJB-QWHCGFSZSA-N 1 3 341.456 -0.356 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374385298 1136680939 /nfs/dbraw/zinc/68/09/39/1136680939.db2.gz OOELZXZZSKZURJ-NEPJUHHUSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)CNCc1nccs1 ZINC001374685988 1136801408 /nfs/dbraw/zinc/80/14/08/1136801408.db2.gz RQWJNHYHFILGCN-QWHCGFSZSA-N 1 3 342.465 -0.322 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001374685979 1136801781 /nfs/dbraw/zinc/80/17/81/1136801781.db2.gz RQHXMWHQCXGWCF-LSDHHAIUSA-N 1 3 340.468 -0.402 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001374850218 1136853742 /nfs/dbraw/zinc/85/37/42/1136853742.db2.gz UYEDZBKLMFEHLC-KGLIPLIRSA-N 1 3 348.513 -0.298 20 0 EBADHO C[C@@H](CNCC(=O)NC[C@@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001374929430 1136877725 /nfs/dbraw/zinc/87/77/25/1136877725.db2.gz CMFRHQOGRHADLD-ZFWWWQNUSA-N 1 3 340.468 -0.282 20 0 EBADHO O[C@H]1CCN(CCNc2cnc(NCC[N@@H+]3CC[C@H](O)C3)cn2)C1 ZINC000624778393 375937816 /nfs/dbraw/zinc/93/78/16/375937816.db2.gz ZZSAIJIUNNXAGG-KBPBESRZSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@H]1CCN(CCNc2cnc(NCC[N@H+]3CC[C@H](O)C3)cn2)C1 ZINC000624778393 375937820 /nfs/dbraw/zinc/93/78/20/375937820.db2.gz ZZSAIJIUNNXAGG-KBPBESRZSA-N 1 3 336.440 -0.566 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642773226 376093449 /nfs/dbraw/zinc/09/34/49/376093449.db2.gz BUXJCRYHMGMGPD-MJBXVCDLSA-N 1 3 326.441 -0.448 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642744614 376065537 /nfs/dbraw/zinc/06/55/37/376065537.db2.gz ZZZKCMQLUNEOMM-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCOCCC[NH3+] ZINC000624408454 376213128 /nfs/dbraw/zinc/21/31/28/376213128.db2.gz ULGBQSOXZBNHNL-UHFFFAOYSA-N 1 3 347.485 -0.295 20 0 EBADHO CO[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000558355857 376248714 /nfs/dbraw/zinc/24/87/14/376248714.db2.gz SWJDMKQKNZRIQP-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H](Cn1cccn1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000559302734 376407905 /nfs/dbraw/zinc/40/79/05/376407905.db2.gz KQFQEMACKJVLBU-CQSZACIVSA-N 1 3 338.456 -0.660 20 0 EBADHO CN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345540 376504330 /nfs/dbraw/zinc/50/43/30/376504330.db2.gz MGQYXCXXQZBBJP-UONOGXRCSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000074345540 376504345 /nfs/dbraw/zinc/50/43/45/376504345.db2.gz MGQYXCXXQZBBJP-UONOGXRCSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892964 376527725 /nfs/dbraw/zinc/52/77/25/376527725.db2.gz JRSYOKZCLDHNBA-LSDHHAIUSA-N 1 3 337.468 -0.907 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000642914852 376731049 /nfs/dbraw/zinc/73/10/49/376731049.db2.gz ONVDYDSGRWTRPT-LSDHHAIUSA-N 1 3 337.468 -0.907 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000642912354 376712537 /nfs/dbraw/zinc/71/25/37/376712537.db2.gz AQOZMCFTFIPMNH-KBPBESRZSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919795 376755083 /nfs/dbraw/zinc/75/50/83/376755083.db2.gz GSFWLJOBDVVBAG-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000583426772 376796784 /nfs/dbraw/zinc/79/67/84/376796784.db2.gz RCGGMEMAJDUBHT-CABCVRRESA-N 1 3 342.484 -0.036 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000561576058 376855377 /nfs/dbraw/zinc/85/53/77/376855377.db2.gz YIRWYGHQDMGRNB-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642946652 377017785 /nfs/dbraw/zinc/01/77/85/377017785.db2.gz AVUGIXVVSAUNCH-HUUCEWRRSA-N 1 3 339.484 -0.676 20 0 EBADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000635929356 377138303 /nfs/dbraw/zinc/13/83/03/377138303.db2.gz UASXOEFMELFPBT-HZPDHXFCSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000635929356 377138305 /nfs/dbraw/zinc/13/83/05/377138305.db2.gz UASXOEFMELFPBT-HZPDHXFCSA-N 1 3 343.468 -0.361 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000642978844 377436965 /nfs/dbraw/zinc/43/69/65/377436965.db2.gz YRRWAKGEBPCNEE-AWEZNQCLSA-N 1 3 337.468 -0.778 20 0 EBADHO C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCSC1 ZINC000595269208 377988221 /nfs/dbraw/zinc/98/82/21/377988221.db2.gz QLYKGJBNTZVCHG-ZOWXZIJZSA-N 1 3 341.481 -0.623 20 0 EBADHO NC(=O)NC(=O)CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910487 378035506 /nfs/dbraw/zinc/03/55/06/378035506.db2.gz ILNYXMISTJIOOH-GFCCVEGCSA-N 1 3 349.439 -0.416 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525948 378361172 /nfs/dbraw/zinc/36/11/72/378361172.db2.gz NJGKUCOENJCFGA-GDBMZVCRSA-N 1 3 328.416 -0.355 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637329939 378566010 /nfs/dbraw/zinc/56/60/10/378566010.db2.gz QHXMAHMOTIAQGZ-UHFFFAOYSA-N 1 3 325.457 -0.066 20 0 EBADHO CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](CN)C1 ZINC000563611363 379053316 /nfs/dbraw/zinc/05/33/16/379053316.db2.gz UGHBQEAKFHWXRU-MRXNPFEDSA-N 1 3 347.463 -0.534 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000563648801 379067148 /nfs/dbraw/zinc/06/71/48/379067148.db2.gz QBIFIQZQALJZPI-CQSZACIVSA-N 1 3 327.473 -0.804 20 0 EBADHO CC(C)(CNC(=O)C(=O)NCCOCCC[NH3+])N1CCCCC1 ZINC000627291111 379120733 /nfs/dbraw/zinc/12/07/33/379120733.db2.gz KOLYVFUUJJHGNE-UHFFFAOYSA-N 1 3 328.457 -0.151 20 0 EBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000571325236 379131973 /nfs/dbraw/zinc/13/19/73/379131973.db2.gz BULUWGIKDJZVHR-CYBMUJFWSA-N 1 3 327.425 -0.305 20 0 EBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000571325236 379131984 /nfs/dbraw/zinc/13/19/84/379131984.db2.gz BULUWGIKDJZVHR-CYBMUJFWSA-N 1 3 327.425 -0.305 20 0 EBADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000339980716 379118593 /nfs/dbraw/zinc/11/85/93/379118593.db2.gz LSNCZCJJRVFSJT-LBPRGKRZSA-N 1 3 327.429 -0.684 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000456208904 379160406 /nfs/dbraw/zinc/16/04/06/379160406.db2.gz JFWKENDDCSYNMR-IYBDPMFKSA-N 1 3 326.485 -0.073 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000629793337 379137512 /nfs/dbraw/zinc/13/75/12/379137512.db2.gz FXEGCQVXCWDZNA-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000629795312 379140962 /nfs/dbraw/zinc/14/09/62/379140962.db2.gz JAORTVZCIHBIOQ-OAHLLOKOSA-N 1 3 340.468 -0.103 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C[NH2+]1 ZINC000627296832 379142530 /nfs/dbraw/zinc/14/25/30/379142530.db2.gz URXXAOGDAUXWMB-KFWWJZLASA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000627296872 379142923 /nfs/dbraw/zinc/14/29/23/379142923.db2.gz VSSTZVALRJGMIJ-MELADBBJSA-N 1 3 326.441 -0.530 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000340017409 379149876 /nfs/dbraw/zinc/14/98/76/379149876.db2.gz XMZYASUZWOXVAU-QWHCGFSZSA-N 1 3 337.472 -0.354 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000627334505 379352224 /nfs/dbraw/zinc/35/22/24/379352224.db2.gz SOKKSUMPXZWNDJ-UONOGXRCSA-N 1 3 339.484 -0.615 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCSC1 ZINC000621842899 379366796 /nfs/dbraw/zinc/36/67/96/379366796.db2.gz BALKNQBNOKPNHN-UHOFOFEASA-N 1 3 340.493 -0.120 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000642644434 379552189 /nfs/dbraw/zinc/55/21/89/379552189.db2.gz FWKCQUCXBLYNOU-QLFBSQMISA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000642644432 379551257 /nfs/dbraw/zinc/55/12/57/379551257.db2.gz FWKCQUCXBLYNOU-ILXRZTDVSA-N 1 3 340.468 -0.202 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627394491 379581506 /nfs/dbraw/zinc/58/15/06/379581506.db2.gz IKEWOYQEGGVPND-ZDUSSCGKSA-N 1 3 328.457 -0.295 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627425104 379593374 /nfs/dbraw/zinc/59/33/74/379593374.db2.gz FDFFHEQXXSVBFD-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425105 379593406 /nfs/dbraw/zinc/59/34/06/379593406.db2.gz FDFFHEQXXSVBFD-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627361049 379566412 /nfs/dbraw/zinc/56/64/12/379566412.db2.gz DLABZCXGJKTCKK-CALCHBBNSA-N 1 3 340.468 -0.471 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627380754 379574123 /nfs/dbraw/zinc/57/41/23/379574123.db2.gz XTKPKKLAAISDCD-AWEZNQCLSA-N 1 3 326.441 -0.719 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000627485734 379635013 /nfs/dbraw/zinc/63/50/13/379635013.db2.gz JIFONYQDGKQVNS-UHFFFAOYSA-N 1 3 340.468 -0.055 20 0 EBADHO CN1CCN(CCNC(=O)NC2(C[NH3+])CCOCC2)CC1(C)C ZINC000627028128 379782191 /nfs/dbraw/zinc/78/21/91/379782191.db2.gz FWUVPHCJOCSXJB-UHFFFAOYSA-N 1 3 327.473 -0.181 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632112862 379816785 /nfs/dbraw/zinc/81/67/85/379816785.db2.gz LIAPDFSYPJDVFW-AWEZNQCLSA-N 1 3 346.497 -0.494 20 0 EBADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@H+](C)C(C)C)COC1 ZINC000633917346 379979191 /nfs/dbraw/zinc/97/91/91/379979191.db2.gz VNIOEKHMXSAMSX-UHFFFAOYSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)COC1 ZINC000633917346 379979200 /nfs/dbraw/zinc/97/92/00/379979200.db2.gz VNIOEKHMXSAMSX-UHFFFAOYSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@H+](C)C(C)C)COC1 ZINC000633917346 379979205 /nfs/dbraw/zinc/97/92/05/379979205.db2.gz VNIOEKHMXSAMSX-UHFFFAOYSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)COC1 ZINC000633917346 379979214 /nfs/dbraw/zinc/97/92/14/379979214.db2.gz VNIOEKHMXSAMSX-UHFFFAOYSA-N 1 3 328.457 -0.332 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633088533 379932241 /nfs/dbraw/zinc/93/22/41/379932241.db2.gz HGXYXHRFNQOIMY-AWEZNQCLSA-N 1 3 328.457 -0.247 20 0 EBADHO CN1CC[C@](O)(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000545879425 380099450 /nfs/dbraw/zinc/09/94/50/380099450.db2.gz ICCBZMHZBWMREV-ROUUACIJSA-N 1 3 333.432 -0.194 20 0 EBADHO CN1CC[C@](O)(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000545879425 380099453 /nfs/dbraw/zinc/09/94/53/380099453.db2.gz ICCBZMHZBWMREV-ROUUACIJSA-N 1 3 333.432 -0.194 20 0 EBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000638096825 380128272 /nfs/dbraw/zinc/12/82/72/380128272.db2.gz NELQXVWCZBIBQT-GRDNDAEWSA-N 1 3 340.468 -0.188 20 0 EBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000638097556 380130279 /nfs/dbraw/zinc/13/02/79/380130279.db2.gz FYOIFUHKPHCHIZ-WMLDXEAASA-N 1 3 338.452 -0.480 20 0 EBADHO CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000615216513 380296033 /nfs/dbraw/zinc/29/60/33/380296033.db2.gz YWHHZPAPJNVYMJ-MGPQQGTHSA-N 1 3 330.473 -0.398 20 0 EBADHO CCN(C)CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@H+](C)CC)O1 ZINC000249548652 380302963 /nfs/dbraw/zinc/30/29/63/380302963.db2.gz HCHITGZLZNCSSP-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C)CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CC)O1 ZINC000249548652 380302968 /nfs/dbraw/zinc/30/29/68/380302968.db2.gz HCHITGZLZNCSSP-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCOCCN(C)CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638240288 380305462 /nfs/dbraw/zinc/30/54/62/380305462.db2.gz IKRMRWGIJXCXTI-MRXNPFEDSA-N 1 3 342.484 -0.523 20 0 EBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000564552740 380374848 /nfs/dbraw/zinc/37/48/48/380374848.db2.gz JVMLFZBPEGVOJA-OAHLLOKOSA-N 1 3 341.500 -0.284 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](CN)C1 ZINC000566058805 380444124 /nfs/dbraw/zinc/44/41/24/380444124.db2.gz WUIXQTNAEXGAOW-AWEZNQCLSA-N 1 3 325.457 -0.922 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H](CN)C1 ZINC000566058805 380444128 /nfs/dbraw/zinc/44/41/28/380444128.db2.gz WUIXQTNAEXGAOW-AWEZNQCLSA-N 1 3 325.457 -0.922 20 0 EBADHO CN1CCN(C(=O)CC[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638553774 380510483 /nfs/dbraw/zinc/51/04/83/380510483.db2.gz USHXTDZVQFZLKR-UHFFFAOYSA-N 1 3 326.485 -0.025 20 0 EBADHO CN1CCN(C(=O)CCNC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638553774 380510487 /nfs/dbraw/zinc/51/04/87/380510487.db2.gz USHXTDZVQFZLKR-UHFFFAOYSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340482308 380511960 /nfs/dbraw/zinc/51/19/60/380511960.db2.gz FPPROKSYLVYYMF-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340482308 380511969 /nfs/dbraw/zinc/51/19/69/380511969.db2.gz FPPROKSYLVYYMF-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000566378967 380468064 /nfs/dbraw/zinc/46/80/64/380468064.db2.gz HBBPOZHMCXSERS-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000638423730 380468090 /nfs/dbraw/zinc/46/80/90/380468090.db2.gz ANOFLLDGTHGJAX-ZWKOTPCHSA-N 1 3 345.491 -0.048 20 0 EBADHO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000638423730 380468099 /nfs/dbraw/zinc/46/80/99/380468099.db2.gz ANOFLLDGTHGJAX-ZWKOTPCHSA-N 1 3 345.491 -0.048 20 0 EBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000567589950 380527278 /nfs/dbraw/zinc/52/72/78/380527278.db2.gz KPKDIUSCDNWOCO-HNNXBMFYSA-N 1 3 327.473 -0.818 20 0 EBADHO COC(=O)C[C@H](N)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000567784896 380542983 /nfs/dbraw/zinc/54/29/83/380542983.db2.gz CDRGVSSFUXKHBW-HNNXBMFYSA-N 1 3 349.435 -0.400 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)CN1CCOCC1 ZINC000119316408 380609454 /nfs/dbraw/zinc/60/94/54/380609454.db2.gz SCYHBSIFOGEZJJ-KRWDZBQOSA-N 1 3 328.501 -0.363 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CN1CCOCC1 ZINC000119316408 380609466 /nfs/dbraw/zinc/60/94/66/380609466.db2.gz SCYHBSIFOGEZJJ-KRWDZBQOSA-N 1 3 328.501 -0.363 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371341521 380647078 /nfs/dbraw/zinc/64/70/78/380647078.db2.gz OWSAKIMYASZYHL-INIZCTEOSA-N 1 3 349.479 -0.857 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371341521 380647085 /nfs/dbraw/zinc/64/70/85/380647085.db2.gz OWSAKIMYASZYHL-INIZCTEOSA-N 1 3 349.479 -0.857 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000573793006 380686446 /nfs/dbraw/zinc/68/64/46/380686446.db2.gz FYPYENKDBLCENB-PBHICJAKSA-N 1 3 338.452 -0.623 20 0 EBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000574261147 380705616 /nfs/dbraw/zinc/70/56/16/380705616.db2.gz IVSHIRLWMXTBOV-MRXNPFEDSA-N 1 3 339.484 -0.356 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575984459 380752950 /nfs/dbraw/zinc/75/29/50/380752950.db2.gz VLEUSCCMPQCUGD-UONOGXRCSA-N 1 3 336.440 -0.129 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000574813124 380724189 /nfs/dbraw/zinc/72/41/89/380724189.db2.gz QSPKGJZIHXFYAZ-KGLIPLIRSA-N 1 3 340.468 -0.010 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000627409430 380773129 /nfs/dbraw/zinc/77/31/29/380773129.db2.gz CINYBPUPFDKOPQ-AWEZNQCLSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@@H]1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000580639200 380806424 /nfs/dbraw/zinc/80/64/24/380806424.db2.gz BBTLTOSIKGLRPE-KFWWJZLASA-N 1 3 342.484 -0.132 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580645103 380806468 /nfs/dbraw/zinc/80/64/68/380806468.db2.gz SYTPVHQXNMNFTR-LSDHHAIUSA-N 1 3 340.468 -0.546 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000579175738 380975550 /nfs/dbraw/zinc/97/55/50/380975550.db2.gz ZDHOXXGUJJUTKE-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC000376757285 380932806 /nfs/dbraw/zinc/93/28/06/380932806.db2.gz HEZTZOXFTTXAJY-NSHDSACASA-N 1 3 346.357 -0.379 20 0 EBADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000579453906 380990274 /nfs/dbraw/zinc/99/02/74/380990274.db2.gz VZLUEOVYZRRCPL-OAHLLOKOSA-N 1 3 339.484 -0.674 20 0 EBADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579497429 380994331 /nfs/dbraw/zinc/99/43/31/380994331.db2.gz DTBZHFSBVKANAG-RDBSUJKOSA-N 1 3 339.440 -0.949 20 0 EBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579497429 380994342 /nfs/dbraw/zinc/99/43/42/380994342.db2.gz DTBZHFSBVKANAG-RDBSUJKOSA-N 1 3 339.440 -0.949 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CN1CCN(C)CC1 ZINC000582606750 381053501 /nfs/dbraw/zinc/05/35/01/381053501.db2.gz UHMHHPHBTVVNQG-RDBSUJKOSA-N 1 3 327.473 -0.772 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000581193644 381060687 /nfs/dbraw/zinc/06/06/87/381060687.db2.gz PCMIFQHCPYQSGR-HOCLYGCPSA-N 1 3 339.484 -0.676 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000582771342 381064982 /nfs/dbraw/zinc/06/49/82/381064982.db2.gz JSRWPIFKILLXLK-HNNXBMFYSA-N 1 3 342.484 -0.034 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000581355974 381069871 /nfs/dbraw/zinc/06/98/71/381069871.db2.gz NRUNETJNNWTOBS-SOUVJXGZSA-N 1 3 340.468 -0.833 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@H](CN)C1 ZINC000580768544 381034187 /nfs/dbraw/zinc/03/41/87/381034187.db2.gz RTPTYSRGAGBXPR-RBSFLKMASA-N 1 3 337.468 -0.970 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@H](CN)C1 ZINC000580768544 381034191 /nfs/dbraw/zinc/03/41/91/381034191.db2.gz RTPTYSRGAGBXPR-RBSFLKMASA-N 1 3 337.468 -0.970 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000617506011 381036569 /nfs/dbraw/zinc/03/65/69/381036569.db2.gz XTFNDYBZDYWMAT-LBPRGKRZSA-N 1 3 336.502 -0.298 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000617506011 381036576 /nfs/dbraw/zinc/03/65/76/381036576.db2.gz XTFNDYBZDYWMAT-LBPRGKRZSA-N 1 3 336.502 -0.298 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639949636 381155560 /nfs/dbraw/zinc/15/55/60/381155560.db2.gz LUHGDCMOKHQUPB-IRXDYDNUSA-N 1 3 336.436 -0.429 20 0 EBADHO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000347063246 381163729 /nfs/dbraw/zinc/16/37/29/381163729.db2.gz DKSPXTGTZBBMAX-LSDHHAIUSA-N 1 3 327.473 -0.358 20 0 EBADHO COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000347063246 381163737 /nfs/dbraw/zinc/16/37/37/381163737.db2.gz DKSPXTGTZBBMAX-LSDHHAIUSA-N 1 3 327.473 -0.358 20 0 EBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000583861997 381168944 /nfs/dbraw/zinc/16/89/44/381168944.db2.gz KDLSFCIMPCEIFE-RBSFLKMASA-N 1 3 338.452 -0.434 20 0 EBADHO COC[C@@]1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCC[NH2+]1 ZINC000418639133 381254033 /nfs/dbraw/zinc/25/40/33/381254033.db2.gz PIIDEJHAJUDPLB-HOCLYGCPSA-N 1 3 328.457 -0.099 20 0 EBADHO COC[C@]1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCC[NH2+]1 ZINC000418639131 381254579 /nfs/dbraw/zinc/25/45/79/381254579.db2.gz PIIDEJHAJUDPLB-GDBMZVCRSA-N 1 3 328.457 -0.099 20 0 EBADHO COCC[NH2+]CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418511834 381244274 /nfs/dbraw/zinc/24/42/74/381244274.db2.gz RZYWQHXQRANNTN-UHFFFAOYSA-N 1 3 341.456 -0.828 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418883654 381331143 /nfs/dbraw/zinc/33/11/43/381331143.db2.gz VNYRSVUKGKHELI-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033201 381358104 /nfs/dbraw/zinc/35/81/04/381358104.db2.gz YDXOKIVXZNWOKA-MCIONIFRSA-N 1 3 326.441 -0.591 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419082240 381362764 /nfs/dbraw/zinc/36/27/64/381362764.db2.gz UEELEBOZYKXPSL-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419059591 381368945 /nfs/dbraw/zinc/36/89/45/381368945.db2.gz RUENEWAGCBTHIX-HZPDHXFCSA-N 1 3 348.447 -0.285 20 0 EBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419192732 381406053 /nfs/dbraw/zinc/40/60/53/381406053.db2.gz YLKCJOQBMMBQPK-CQSZACIVSA-N 1 3 341.500 -0.238 20 0 EBADHO CN(C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419231532 381407981 /nfs/dbraw/zinc/40/79/81/381407981.db2.gz SBHQDLCUKCXFGB-ILXRZTDVSA-N 1 3 338.452 -0.842 20 0 EBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419181057 381402068 /nfs/dbraw/zinc/40/20/68/381402068.db2.gz KLPDLHDFLUMHLT-UHFFFAOYSA-N 1 3 341.500 -0.238 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419415588 381431678 /nfs/dbraw/zinc/43/16/78/381431678.db2.gz VHKWAWBUAPVFHA-KGLIPLIRSA-N 1 3 326.441 -0.589 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419442873 381439237 /nfs/dbraw/zinc/43/92/37/381439237.db2.gz AOSMRMWLQOPPHG-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C1CC1 ZINC000419520906 381444350 /nfs/dbraw/zinc/44/43/50/381444350.db2.gz ISLPCJJAOQYWPB-WCQYABFASA-N 1 3 326.441 -0.184 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C1CC1 ZINC000419520906 381444357 /nfs/dbraw/zinc/44/43/57/381444357.db2.gz ISLPCJJAOQYWPB-WCQYABFASA-N 1 3 326.441 -0.184 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000419691217 381472940 /nfs/dbraw/zinc/47/29/40/381472940.db2.gz DVEIKHZLLHPENZ-LSDHHAIUSA-N 1 3 340.468 -0.058 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000419691217 381472946 /nfs/dbraw/zinc/47/29/46/381472946.db2.gz DVEIKHZLLHPENZ-LSDHHAIUSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419700778 381474900 /nfs/dbraw/zinc/47/49/00/381474900.db2.gz SOQVHDABVLVONN-KKUMJFAQSA-N 1 3 340.468 -0.596 20 0 EBADHO C[C@H](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCCCC1 ZINC000419719822 381478901 /nfs/dbraw/zinc/47/89/01/381478901.db2.gz XUXMWTJKIQUQMQ-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419678495 381481144 /nfs/dbraw/zinc/48/11/44/381481144.db2.gz OFDFKHXVNFQUKG-ZIAGYGMSSA-N 1 3 328.457 -0.343 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419681499 381482921 /nfs/dbraw/zinc/48/29/21/381482921.db2.gz RXDJTFJEKJAHHN-QWHCGFSZSA-N 1 3 344.456 -0.700 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419681499 381482925 /nfs/dbraw/zinc/48/29/25/381482925.db2.gz RXDJTFJEKJAHHN-QWHCGFSZSA-N 1 3 344.456 -0.700 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419595738 381461674 /nfs/dbraw/zinc/46/16/74/381461674.db2.gz XBQXNGPAAZQJQA-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419672932 381468654 /nfs/dbraw/zinc/46/86/54/381468654.db2.gz GVOIJRNOWXZBPZ-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419865726 381512606 /nfs/dbraw/zinc/51/26/06/381512606.db2.gz UBUXERKRDJHWDR-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419770601 381488696 /nfs/dbraw/zinc/48/86/96/381488696.db2.gz FUOQIPXGEILAEV-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419779703 381491186 /nfs/dbraw/zinc/49/11/86/381491186.db2.gz PPCZYLUPABYBQX-MJBXVCDLSA-N 1 3 326.441 -0.733 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419782060 381495037 /nfs/dbraw/zinc/49/50/37/381495037.db2.gz STERVWBTAZPBJB-STQMWFEESA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@H](C)N[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814305 381497459 /nfs/dbraw/zinc/49/74/59/381497459.db2.gz HGOYOMDFBRVPAQ-ILXRZTDVSA-N 1 3 339.484 -0.805 20 0 EBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCNC[C@H]2C)CC1 ZINC000419837268 381501567 /nfs/dbraw/zinc/50/15/67/381501567.db2.gz WLEAJOAQFZRMBM-HUUCEWRRSA-N 1 3 339.484 -0.804 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420115576 381542995 /nfs/dbraw/zinc/54/29/95/381542995.db2.gz KJVZZBATMZDNJN-LSDHHAIUSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028589 381532044 /nfs/dbraw/zinc/53/20/44/381532044.db2.gz DWQQDGLZUDYDCS-QWHCGFSZSA-N 1 3 326.441 -0.230 20 0 EBADHO C[C@@H](CN)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420031333 381532215 /nfs/dbraw/zinc/53/22/15/381532215.db2.gz RRIBFJRNMTUREJ-SOUVJXGZSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@@H](CN)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420031333 381532224 /nfs/dbraw/zinc/53/22/24/381532224.db2.gz RRIBFJRNMTUREJ-SOUVJXGZSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420031062 381533097 /nfs/dbraw/zinc/53/30/97/381533097.db2.gz GYQUETDZOBROCN-AAEUAGOBSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000420031062 381533099 /nfs/dbraw/zinc/53/30/99/381533099.db2.gz GYQUETDZOBROCN-AAEUAGOBSA-N 1 3 326.441 -0.232 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420172490 381571859 /nfs/dbraw/zinc/57/18/59/381571859.db2.gz VQAYTDMABSZIJN-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000571876551 381622029 /nfs/dbraw/zinc/62/20/29/381622029.db2.gz FGURVXRGVNZPOR-AWEZNQCLSA-N 1 3 327.473 -0.010 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351676599 381662551 /nfs/dbraw/zinc/66/25/51/381662551.db2.gz UTDXPGBNPPOTEL-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000331943823 381733726 /nfs/dbraw/zinc/73/37/26/381733726.db2.gz IQJVENJYPPLPSM-KBPBESRZSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000331642102 381719759 /nfs/dbraw/zinc/71/97/59/381719759.db2.gz NGGYJJUXQFFETP-XJFOESAGSA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000331642102 381719769 /nfs/dbraw/zinc/71/97/69/381719769.db2.gz NGGYJJUXQFFETP-XJFOESAGSA-N 1 3 338.452 -0.089 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000627395086 381801687 /nfs/dbraw/zinc/80/16/87/381801687.db2.gz ZQOVKUOKFFBBNP-CYBMUJFWSA-N 1 3 328.457 -0.343 20 0 EBADHO O=C(NCC1C[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915714 381879523 /nfs/dbraw/zinc/87/95/23/381879523.db2.gz QVYAIOHSNLTZPC-CQSZACIVSA-N 1 3 347.467 -0.072 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643511239 381962837 /nfs/dbraw/zinc/96/28/37/381962837.db2.gz ZJJBCANNYKGLRG-KGLIPLIRSA-N 1 3 328.457 -0.391 20 0 EBADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCN1C ZINC000418013895 382067305 /nfs/dbraw/zinc/06/73/05/382067305.db2.gz ZZIUZDMHAFNAFF-MGPQQGTHSA-N 1 3 325.457 -0.034 20 0 EBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643516787 382021692 /nfs/dbraw/zinc/02/16/92/382021692.db2.gz VCADIJJVACKIFX-OAGGEKHMSA-N 1 3 349.479 -0.812 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cn1 ZINC000444269780 382145640 /nfs/dbraw/zinc/14/56/40/382145640.db2.gz NKBIDMFGZBNKPH-BBRMVZONSA-N 1 3 334.424 -0.501 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629558992 382223225 /nfs/dbraw/zinc/22/32/25/382223225.db2.gz ORJSRHPCPRZAJX-HZPDHXFCSA-N 1 3 326.485 -0.025 20 0 EBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000187935514 154149259 /nfs/dbraw/zinc/14/92/59/154149259.db2.gz NFBOHLWKFYZZNE-JKSUJKDBSA-N 1 3 348.447 -0.029 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000261885902 154203761 /nfs/dbraw/zinc/20/37/61/154203761.db2.gz SKCDOBGEMRJETN-CYBMUJFWSA-N 1 3 336.440 -0.111 20 0 EBADHO O=C(CNC[C@@H]1CCCO1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106841 154213344 /nfs/dbraw/zinc/21/33/44/154213344.db2.gz VITLOQFUNCGQGM-RYUDHWBXSA-N 1 3 338.374 -0.293 20 0 EBADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000342698809 156053552 /nfs/dbraw/zinc/05/35/52/156053552.db2.gz HXYHMRHPGWBYJF-TZMCWYRMSA-N 1 3 336.440 -0.113 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCN(C)C2CC2)CCCO1 ZINC000343308202 156122926 /nfs/dbraw/zinc/12/29/26/156122926.db2.gz KWSJYJCYZHFSSO-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCN(C)C2CC2)CCCO1 ZINC000343308202 156122929 /nfs/dbraw/zinc/12/29/29/156122929.db2.gz KWSJYJCYZHFSSO-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO COC(=O)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000343594176 156146780 /nfs/dbraw/zinc/14/67/80/156146780.db2.gz HMDGARLCOPLCSN-ZIAGYGMSSA-N 1 3 328.409 -0.007 20 0 EBADHO COC(=O)[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000343594176 156146782 /nfs/dbraw/zinc/14/67/82/156146782.db2.gz HMDGARLCOPLCSN-ZIAGYGMSSA-N 1 3 328.409 -0.007 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355902860 157031911 /nfs/dbraw/zinc/03/19/11/157031911.db2.gz QXKCBZKWTDMDJW-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)N1CCC(C)CC1 ZINC000356413667 157064420 /nfs/dbraw/zinc/06/44/20/157064420.db2.gz DZUYCKIBDMGVBJ-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000357572702 157155617 /nfs/dbraw/zinc/15/56/17/157155617.db2.gz GGEDPIRJKADVBF-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000357572702 157155623 /nfs/dbraw/zinc/15/56/23/157155623.db2.gz GGEDPIRJKADVBF-DZGCQCFKSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000357572138 157156085 /nfs/dbraw/zinc/15/60/85/157156085.db2.gz FYDZYMRBIKUHAF-OAHLLOKOSA-N 1 3 342.484 -0.129 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000357572138 157156086 /nfs/dbraw/zinc/15/60/86/157156086.db2.gz FYDZYMRBIKUHAF-OAHLLOKOSA-N 1 3 342.484 -0.129 20 0 EBADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@@H](C)C1 ZINC000360273649 157370258 /nfs/dbraw/zinc/37/02/58/157370258.db2.gz TZWMCCARYGOMER-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@@H](C)C1 ZINC000360273649 157370262 /nfs/dbraw/zinc/37/02/62/157370262.db2.gz TZWMCCARYGOMER-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360273669 157370570 /nfs/dbraw/zinc/37/05/70/157370570.db2.gz UIKQWSSHKYDAMK-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000360278145 157371549 /nfs/dbraw/zinc/37/15/49/157371549.db2.gz IDNUOVQENMBEAQ-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410495817 419031580 /nfs/dbraw/zinc/03/15/80/419031580.db2.gz AVWUCIZYMJHMIT-UONOGXRCSA-N 1 3 326.441 -0.815 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659024758 419066168 /nfs/dbraw/zinc/06/61/68/419066168.db2.gz JFWZUUFHTPWDEM-VIFPVBQESA-N 1 3 327.351 -0.463 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2CC)C[C@H]1C[NH3+] ZINC000652686901 419256118 /nfs/dbraw/zinc/25/61/18/419256118.db2.gz QDSBAVSQNIMCID-RBSFLKMASA-N 1 3 340.468 -0.201 20 0 EBADHO CN1CC[C@H]2CN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC000651837482 419224027 /nfs/dbraw/zinc/22/40/27/419224027.db2.gz FXIPRFRRPWZKAM-GXTWGEPZSA-N 1 3 334.424 -0.454 20 0 EBADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652620168 419241712 /nfs/dbraw/zinc/24/17/12/419241712.db2.gz BSBIGSGDSYLTMJ-CYBMUJFWSA-N 1 3 336.440 -0.159 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000652622179 419241812 /nfs/dbraw/zinc/24/18/12/419241812.db2.gz COWMMMLVSKOCKX-CFVMTHIKSA-N 1 3 348.451 -0.031 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC000647809936 419308521 /nfs/dbraw/zinc/30/85/21/419308521.db2.gz CMFNLJGTZHPIRF-CQSZACIVSA-N 1 3 330.473 -0.398 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC000647809936 419308523 /nfs/dbraw/zinc/30/85/23/419308523.db2.gz CMFNLJGTZHPIRF-CQSZACIVSA-N 1 3 330.473 -0.398 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC000647809936 419308524 /nfs/dbraw/zinc/30/85/24/419308524.db2.gz CMFNLJGTZHPIRF-CQSZACIVSA-N 1 3 330.473 -0.398 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC000647809936 419308526 /nfs/dbraw/zinc/30/85/26/419308526.db2.gz CMFNLJGTZHPIRF-CQSZACIVSA-N 1 3 330.473 -0.398 20 0 EBADHO CCN(CCO)CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415947848 419421078 /nfs/dbraw/zinc/42/10/78/419421078.db2.gz BDDGOYQEUONRQG-UHFFFAOYSA-N 1 3 337.428 -0.678 20 0 EBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)C1 ZINC000519772230 419541679 /nfs/dbraw/zinc/54/16/79/419541679.db2.gz QOQCTXDXFPSGRG-HZSPNIEDSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C(=O)NCC[NH+](C)C ZINC000520626660 419569812 /nfs/dbraw/zinc/56/98/12/419569812.db2.gz FPDLRUHRNPWAKY-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000420064844 419838622 /nfs/dbraw/zinc/83/86/22/419838622.db2.gz OYEJTXXDLPDFPZ-RWMBFGLXSA-N 1 3 326.441 -0.374 20 0 EBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000422375251 419885344 /nfs/dbraw/zinc/88/53/44/419885344.db2.gz JCAMIUGMYSAQGV-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423206081 419924031 /nfs/dbraw/zinc/92/40/31/419924031.db2.gz FTAWJXBOJJYEKV-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCN1 ZINC000423127803 419919226 /nfs/dbraw/zinc/91/92/26/419919226.db2.gz KDANFYBTCNCYTM-CQSZACIVSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCN1 ZINC000423127803 419919233 /nfs/dbraw/zinc/91/92/33/419919233.db2.gz KDANFYBTCNCYTM-CQSZACIVSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCN1 ZINC000423127803 419919238 /nfs/dbraw/zinc/91/92/38/419919238.db2.gz KDANFYBTCNCYTM-CQSZACIVSA-N 1 3 339.484 -0.709 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423271877 419929608 /nfs/dbraw/zinc/92/96/08/419929608.db2.gz YGVBYKJRNDNSJV-QGZVFWFLSA-N 1 3 340.468 -0.375 20 0 EBADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000423216940 419925108 /nfs/dbraw/zinc/92/51/08/419925108.db2.gz SRRWOVAQMKUMRY-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423260355 419927102 /nfs/dbraw/zinc/92/71/02/419927102.db2.gz HDIAAQVVEWEQSA-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CC[C@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000515794601 419985286 /nfs/dbraw/zinc/98/52/86/419985286.db2.gz ABZAUTPIQMRRRZ-QGZVFWFLSA-N 1 3 342.484 -0.034 20 0 EBADHO COC[C@@]1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCC[NH2+]1 ZINC000516174733 420509841 /nfs/dbraw/zinc/50/98/41/420509841.db2.gz RZVBUMVIOPWMAP-LZWOXQAQSA-N 1 3 336.440 -0.375 20 0 EBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCNCc1cccnc1 ZINC000646615269 420676666 /nfs/dbraw/zinc/67/66/66/420676666.db2.gz HVKIZZXLTMLQLI-HNNXBMFYSA-N 1 3 333.436 -0.064 20 0 EBADHO C[NH+](C)C1CCN(CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654508829 420831382 /nfs/dbraw/zinc/83/13/82/420831382.db2.gz MFFFJSIYABKTGH-JKSUJKDBSA-N 1 3 339.484 -0.527 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CCCO1 ZINC000659676826 421014012 /nfs/dbraw/zinc/01/40/12/421014012.db2.gz JOHXZIIVNHLZMO-CQSZACIVSA-N 1 3 340.468 -0.009 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCSC1 ZINC000659702965 421016518 /nfs/dbraw/zinc/01/65/18/421016518.db2.gz XJCMIRFZVOMPKN-XGTXGMFGSA-N 1 3 326.466 -0.510 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000663556126 421133212 /nfs/dbraw/zinc/13/32/12/421133212.db2.gz HYSDJPWVNFYYHK-KBPBESRZSA-N 1 3 327.473 -0.671 20 0 EBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000662931842 421113211 /nfs/dbraw/zinc/11/32/11/421113211.db2.gz HIXBKMZTIYEJIT-AWEZNQCLSA-N 1 3 325.457 -0.968 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCO1 ZINC000662948439 421116718 /nfs/dbraw/zinc/11/67/18/421116718.db2.gz KDWFAKUQQMKULB-ZIAGYGMSSA-N 1 3 326.441 -0.495 20 0 EBADHO [NH3+]CCOCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013673 421121603 /nfs/dbraw/zinc/12/16/03/421121603.db2.gz FPFWOEQWVKMZPS-CYBMUJFWSA-N 1 3 336.440 -0.499 20 0 EBADHO CN(C)CCn1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)n1 ZINC000567822409 421194695 /nfs/dbraw/zinc/19/46/95/421194695.db2.gz VAKSRLUCDNWTIH-GFCCVEGCSA-N 1 3 332.412 0.041 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000369780518 421195121 /nfs/dbraw/zinc/19/51/21/421195121.db2.gz RELRNOAQFPULNX-UONOGXRCSA-N 1 3 336.440 0.429 20 0 EBADHO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419159527 264853817 /nfs/dbraw/zinc/85/38/17/264853817.db2.gz ZLJWWGSDTSMMTO-UHFFFAOYSA-N 1 3 336.436 -0.079 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419595368 264881033 /nfs/dbraw/zinc/88/10/33/264881033.db2.gz WIYMMNWSLFLOAT-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878735 264900757 /nfs/dbraw/zinc/90/07/57/264900757.db2.gz YHXWTVMNAVNOKV-GJZGRUSLSA-N 1 3 339.484 -0.613 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423642768 265024437 /nfs/dbraw/zinc/02/44/37/265024437.db2.gz IMIDULTVEIHNTL-HUUCEWRRSA-N 1 3 340.468 -0.105 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H](C)N1 ZINC000423677261 265031507 /nfs/dbraw/zinc/03/15/07/265031507.db2.gz JSSGMDWFXXOIPF-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@@H](C)N1 ZINC000423677261 265031509 /nfs/dbraw/zinc/03/15/09/265031509.db2.gz JSSGMDWFXXOIPF-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H](C)N1 ZINC000423677261 265031511 /nfs/dbraw/zinc/03/15/11/265031511.db2.gz JSSGMDWFXXOIPF-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423736755 265039708 /nfs/dbraw/zinc/03/97/08/265039708.db2.gz BXWLJQMTHMTYIL-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000430956334 265158210 /nfs/dbraw/zinc/15/82/10/265158210.db2.gz OGPDTRPIWAHZRA-AWEZNQCLSA-N 1 3 339.484 -0.722 20 0 EBADHO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435621195 265228788 /nfs/dbraw/zinc/22/87/88/265228788.db2.gz JQILWKHOGSBVHB-CYBMUJFWSA-N 1 3 348.451 -0.102 20 0 EBADHO Cn1cnc2c1c(=O)n(CCC[N@H+](C)[C@@H]1CCCNCC1)c(=O)n2C ZINC000435621195 265228789 /nfs/dbraw/zinc/22/87/89/265228789.db2.gz JQILWKHOGSBVHB-CYBMUJFWSA-N 1 3 348.451 -0.102 20 0 EBADHO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@@H]1CCCNCC1)c(=O)n2C ZINC000435621195 265228791 /nfs/dbraw/zinc/22/87/91/265228791.db2.gz JQILWKHOGSBVHB-CYBMUJFWSA-N 1 3 348.451 -0.102 20 0 EBADHO CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](CN)C1 ZINC000669463860 545875783 /nfs/dbraw/zinc/87/57/83/545875783.db2.gz NZNAXZPKYSLTIB-OAHLLOKOSA-N 1 3 339.484 -0.084 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[NH2+]C1CC1 ZINC000669443995 545875806 /nfs/dbraw/zinc/87/58/06/545875806.db2.gz BRFNIAOVWHFAOP-AWEZNQCLSA-N 1 3 325.457 -0.020 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1)C[NH+]1CCN(C)CC1 ZINC000671172515 545915587 /nfs/dbraw/zinc/91/55/87/545915587.db2.gz ZLMPIGJMMVFROA-HUUCEWRRSA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1)C[NH+]1CCN(C)CC1 ZINC000671172514 545915935 /nfs/dbraw/zinc/91/59/35/545915935.db2.gz ZLMPIGJMMVFROA-GJZGRUSLSA-N 1 3 339.484 -0.804 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000667812050 546063107 /nfs/dbraw/zinc/06/31/07/546063107.db2.gz CBXADQLELYXQEU-OLZOCXBDSA-N 1 3 339.440 -0.541 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000667812050 546063108 /nfs/dbraw/zinc/06/31/08/546063108.db2.gz CBXADQLELYXQEU-OLZOCXBDSA-N 1 3 339.440 -0.541 20 0 EBADHO CC(C)(O)CN1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891968482 582564169 /nfs/dbraw/zinc/56/41/69/582564169.db2.gz LEUFDWVGRCBPAA-AWEZNQCLSA-N 1 3 327.473 -0.574 20 0 EBADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000866920785 582676476 /nfs/dbraw/zinc/67/64/76/582676476.db2.gz HJWIUSADSIQFIG-BLLLJJGKSA-N 1 3 346.472 -0.130 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685605 582778865 /nfs/dbraw/zinc/77/88/65/582778865.db2.gz GIHLOMYVFPGKSL-DOTOQJQBSA-N 1 3 326.485 -0.025 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900685605 582778868 /nfs/dbraw/zinc/77/88/68/582778868.db2.gz GIHLOMYVFPGKSL-DOTOQJQBSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903741806 582816730 /nfs/dbraw/zinc/81/67/30/582816730.db2.gz IBHZATCAKDFBED-AWEZNQCLSA-N 1 3 325.457 -0.968 20 0 EBADHO C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000741085965 583069107 /nfs/dbraw/zinc/06/91/07/583069107.db2.gz ACOCENQNRVOFQR-KBPBESRZSA-N 1 3 326.441 -0.395 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000774431143 583384491 /nfs/dbraw/zinc/38/44/91/583384491.db2.gz KDBAWUNLFPTNTC-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000804054728 583638569 /nfs/dbraw/zinc/63/85/69/583638569.db2.gz WBWHYPCKQUQLDX-KBXIAJHMSA-N 1 3 338.452 -0.435 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[N@H+]1C ZINC000804054728 583638570 /nfs/dbraw/zinc/63/85/70/583638570.db2.gz WBWHYPCKQUQLDX-KBXIAJHMSA-N 1 3 338.452 -0.435 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC1 ZINC000807026854 583657032 /nfs/dbraw/zinc/65/70/32/583657032.db2.gz FILZUADNJSIDKW-KBPBESRZSA-N 1 3 338.452 -0.434 20 0 EBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC000818647581 583746708 /nfs/dbraw/zinc/74/67/08/583746708.db2.gz AQLDABNSCPZDRK-LVQVYYBASA-N 1 3 348.451 -0.281 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1=O ZINC000820848304 583781960 /nfs/dbraw/zinc/78/19/60/583781960.db2.gz QLNSMRUCDCTKCU-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000820848304 583781962 /nfs/dbraw/zinc/78/19/62/583781962.db2.gz QLNSMRUCDCTKCU-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000827936268 583929620 /nfs/dbraw/zinc/92/96/20/583929620.db2.gz IDJQGKZQWRQVKO-MGPQQGTHSA-N 1 3 334.424 -0.204 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N1CCCCC1 ZINC000842016316 584056459 /nfs/dbraw/zinc/05/64/59/584056459.db2.gz UBHOJUWVWUJIRG-RDBSUJKOSA-N 1 3 326.441 -0.448 20 0 EBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842165094 584058448 /nfs/dbraw/zinc/05/84/48/584058448.db2.gz RGVQHPVXDIHFRB-QWHCGFSZSA-N 1 3 326.441 -0.401 20 0 EBADHO C[C@]1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCC[NH2+]C1 ZINC000842163956 584058576 /nfs/dbraw/zinc/05/85/76/584058576.db2.gz CRXMIPTXOXYTBX-CPUCHLNUSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842165543 584059015 /nfs/dbraw/zinc/05/90/15/584059015.db2.gz ZFTDBYWIKGKOCH-HZSPNIEDSA-N 1 3 326.441 -0.545 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844180302 584090043 /nfs/dbraw/zinc/09/00/43/584090043.db2.gz QVFTWVNYYUSFRS-HUUCEWRRSA-N 1 3 333.436 -0.059 20 0 EBADHO CN(C)C(=O)CN1CCN(C(=O)CN(C)C2CCC([NH3+])CC2)CC1 ZINC000844221368 584091342 /nfs/dbraw/zinc/09/13/42/584091342.db2.gz XTADCGSVDZELSI-UHFFFAOYSA-N 1 3 339.484 -0.580 20 0 EBADHO [NH3+]CCC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846327841 584124673 /nfs/dbraw/zinc/12/46/73/584124673.db2.gz DXQGJJPZWXZDDP-CABCVRRESA-N 1 3 338.452 -0.447 20 0 EBADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000846331257 584124689 /nfs/dbraw/zinc/12/46/89/584124689.db2.gz SIMHERDENDJTMR-HUUCEWRRSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000861767382 584338112 /nfs/dbraw/zinc/33/81/12/584338112.db2.gz QAIDTTWYRODKRA-CYBMUJFWSA-N 1 3 326.441 -0.447 20 0 EBADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000875236170 584494501 /nfs/dbraw/zinc/49/45/01/584494501.db2.gz BCBIJUAYJGPEHE-KKUMJFAQSA-N 1 3 340.468 -0.006 20 0 EBADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000875236170 584494502 /nfs/dbraw/zinc/49/45/02/584494502.db2.gz BCBIJUAYJGPEHE-KKUMJFAQSA-N 1 3 340.468 -0.006 20 0 EBADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000875236175 584494938 /nfs/dbraw/zinc/49/49/38/584494938.db2.gz BCBIJUAYJGPEHE-SOUVJXGZSA-N 1 3 340.468 -0.006 20 0 EBADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000875236175 584494941 /nfs/dbraw/zinc/49/49/41/584494941.db2.gz BCBIJUAYJGPEHE-SOUVJXGZSA-N 1 3 340.468 -0.006 20 0 EBADHO C[C@@H](CNC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000875420794 584498801 /nfs/dbraw/zinc/49/88/01/584498801.db2.gz DUSBNEUUULZLLH-BFHYXJOUSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[NH+]1CCN(CCCNC(=O)[C@]2(COC)CNCCO2)CC1 ZINC000876781989 584523543 /nfs/dbraw/zinc/52/35/43/584523543.db2.gz UDDMGXUQSHAOBJ-MRXNPFEDSA-N 1 3 328.457 -0.865 20 0 EBADHO CN1CCC(NC(=O)CN2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000878109394 584537532 /nfs/dbraw/zinc/53/75/32/584537532.db2.gz QKRNHWCKSPAOOF-UHFFFAOYSA-N 1 3 326.485 -0.025 20 0 EBADHO CN1CCC(NC(=O)CN2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000878109394 584537534 /nfs/dbraw/zinc/53/75/34/584537534.db2.gz QKRNHWCKSPAOOF-UHFFFAOYSA-N 1 3 326.485 -0.025 20 0 EBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000884560454 584627568 /nfs/dbraw/zinc/62/75/68/584627568.db2.gz XZDWUGRCXFXIJM-TUVASFSCSA-N 1 3 338.452 -0.401 20 0 EBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000884560147 584627707 /nfs/dbraw/zinc/62/77/07/584627707.db2.gz OILIPVQMGOISRT-RBSFLKMASA-N 1 3 338.452 -0.434 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884587098 584629037 /nfs/dbraw/zinc/62/90/37/584629037.db2.gz AIVBAFMQEKUJFA-HDJSIYSDSA-N 1 3 328.457 -0.295 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CCSC1 ZINC000884612646 584629905 /nfs/dbraw/zinc/62/99/05/584629905.db2.gz QOFLETHSAMIAEW-IOASZLSFSA-N 1 3 340.493 -0.107 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884637589 584630693 /nfs/dbraw/zinc/63/06/93/584630693.db2.gz TWGCNJKNOHBHJC-AWEZNQCLSA-N 1 3 328.457 -0.199 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884662362 584632342 /nfs/dbraw/zinc/63/23/42/584632342.db2.gz ODXAWWGXLBEKRJ-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO CCN(C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884669705 584632459 /nfs/dbraw/zinc/63/24/59/584632459.db2.gz DOQLAANGJRNTBE-GJZGRUSLSA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000884674580 584632896 /nfs/dbraw/zinc/63/28/96/584632896.db2.gz ZTAJHDNMNGPYGZ-UONOGXRCSA-N 1 3 331.420 -0.013 20 0 EBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884725697 584636315 /nfs/dbraw/zinc/63/63/15/584636315.db2.gz UBOWSSGRYKDHKN-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884725190 584636485 /nfs/dbraw/zinc/63/64/85/584636485.db2.gz AJXVUGLZYMCSER-UYJPIKCFSA-N 1 3 326.441 -0.530 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787695 584637748 /nfs/dbraw/zinc/63/77/48/584637748.db2.gz ZCHRYERPAACLLM-NEPJUHHUSA-N 1 3 332.395 -0.052 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C ZINC000884811899 584638236 /nfs/dbraw/zinc/63/82/36/584638236.db2.gz IFQRDXFFKWABDR-AWEZNQCLSA-N 1 3 349.435 -0.529 20 0 EBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885286482 584647271 /nfs/dbraw/zinc/64/72/71/584647271.db2.gz WQCGWWLLDURECW-NEPJUHHUSA-N 1 3 332.395 -0.052 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885290886 584647357 /nfs/dbraw/zinc/64/73/57/584647357.db2.gz JIDJJRASRSBKFE-NSHDSACASA-N 1 3 332.395 -0.100 20 0 EBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000889745519 584688561 /nfs/dbraw/zinc/68/85/61/584688561.db2.gz VZASAEYBTIBNBR-UXLLHSPISA-N 1 3 325.453 -0.109 20 0 EBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000889745519 584688563 /nfs/dbraw/zinc/68/85/63/584688563.db2.gz VZASAEYBTIBNBR-UXLLHSPISA-N 1 3 325.453 -0.109 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000665763569 650032957 /nfs/dbraw/zinc/03/29/57/650032957.db2.gz FYUUBMUDARKPJM-GOEBONIOSA-N 1 3 341.500 -0.281 20 0 EBADHO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CN3CCN2CCC3)CC1 ZINC000908027493 650095153 /nfs/dbraw/zinc/09/51/53/650095153.db2.gz HADTUMYIPWUMTR-QGZVFWFLSA-N 1 3 337.512 -0.091 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000910613867 650116297 /nfs/dbraw/zinc/11/62/97/650116297.db2.gz QZPIHIRMWPRSIS-OKILXGFUSA-N 1 3 342.509 -0.240 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000910999272 650144305 /nfs/dbraw/zinc/14/43/05/650144305.db2.gz JBABJSSVWIKBFL-ZIAGYGMSSA-N 1 3 340.468 -0.343 20 0 EBADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911022929 650146156 /nfs/dbraw/zinc/14/61/56/650146156.db2.gz PYHLVJBCLNNAGS-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911162135 650155373 /nfs/dbraw/zinc/15/53/73/650155373.db2.gz PRZCVUVUCBYPHG-UHFFFAOYSA-N 1 3 339.484 -0.626 20 0 EBADHO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCNCCNCC1 ZINC000911193523 650158569 /nfs/dbraw/zinc/15/85/69/650158569.db2.gz BGTXNEHWJPJMMD-UHFFFAOYSA-N 1 3 337.468 -0.859 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCSC1 ZINC000911198532 650159109 /nfs/dbraw/zinc/15/91/09/650159109.db2.gz HALQREFAGWUJCI-ABAIWWIYSA-N 1 3 328.482 -0.264 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911162426 650156008 /nfs/dbraw/zinc/15/60/08/650156008.db2.gz RIQAJKJFAVIXPT-CQSZACIVSA-N 1 3 339.484 -0.484 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911268318 650164544 /nfs/dbraw/zinc/16/45/44/650164544.db2.gz CSJRIAZYNPCRSE-RBSFLKMASA-N 1 3 339.484 -0.900 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C[NH+](C)C ZINC000911284913 650166844 /nfs/dbraw/zinc/16/68/44/650166844.db2.gz SONHIWZAKJWUAB-HUUCEWRRSA-N 1 3 336.436 -0.115 20 0 EBADHO CC1(C)CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000911336405 650172330 /nfs/dbraw/zinc/17/23/30/650172330.db2.gz IFQDBSQFMCAZHX-UONOGXRCSA-N 1 3 338.452 -0.448 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1=O ZINC000913680390 650243027 /nfs/dbraw/zinc/24/30/27/650243027.db2.gz NFQCRANYGHGQLJ-AWEZNQCLSA-N 1 3 340.468 -0.688 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923343680 650338059 /nfs/dbraw/zinc/33/80/59/650338059.db2.gz FGMXXYPXFOXSTE-ARFHVFGLSA-N 1 3 343.468 -0.138 20 0 EBADHO COc1ccc(CN2CCCN(C(=O)CNC(CN)C[NH3+])CC2)cc1 ZINC000923358751 650338925 /nfs/dbraw/zinc/33/89/25/650338925.db2.gz HAECSBRNASDSJN-UHFFFAOYSA-N 1 3 349.479 -0.395 20 0 EBADHO C[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923496438 650342171 /nfs/dbraw/zinc/34/21/71/650342171.db2.gz IILOSHZXMGMJLA-OLZOCXBDSA-N 1 3 334.486 -0.699 20 0 EBADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923645496 650350546 /nfs/dbraw/zinc/35/05/46/650350546.db2.gz HFTVSQCTCJHEPI-ZIAGYGMSSA-N 1 3 332.470 -0.645 20 0 EBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000926322263 650386238 /nfs/dbraw/zinc/38/62/38/650386238.db2.gz VGQFILRAVXZYQD-HNNXBMFYSA-N 1 3 337.468 -0.905 20 0 EBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926381871 650390146 /nfs/dbraw/zinc/39/01/46/650390146.db2.gz YHXPXDUMBCUIDE-CZUORRHYSA-N 1 3 326.441 -0.760 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N(C)CCN1CCCC1)C[NH+](C)C ZINC000932466398 651680992 /nfs/dbraw/zinc/68/09/92/651680992.db2.gz AHEVNXKIUMCQSQ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CC1(C(=O)NC2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CNC(=O)C1 ZINC000938298576 652183200 /nfs/dbraw/zinc/18/32/00/652183200.db2.gz RANQHAKITNJKJF-BLLLJJGKSA-N 1 3 334.420 -0.675 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601302 652902302 /nfs/dbraw/zinc/90/23/02/652902302.db2.gz OZXDUJXHGGWHHH-GXTWGEPZSA-N 1 3 335.408 -0.753 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC000944601302 652902304 /nfs/dbraw/zinc/90/23/04/652902304.db2.gz OZXDUJXHGGWHHH-GXTWGEPZSA-N 1 3 335.408 -0.753 20 0 EBADHO CN(CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC000946925040 653271555 /nfs/dbraw/zinc/27/15/55/653271555.db2.gz LQERLJULYSPWOH-CQSZACIVSA-N 1 3 338.452 -0.698 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000946928000 653274883 /nfs/dbraw/zinc/27/48/83/653274883.db2.gz PJIOMEQWUMINAM-ZIAGYGMSSA-N 1 3 340.468 -0.596 20 0 EBADHO O=C(NC[C@@H]1CN(CCn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595070 722398520 /nfs/dbraw/zinc/39/85/20/722398520.db2.gz PCZZHVITNWLTLQ-HUUCEWRRSA-N 1 3 333.436 -0.612 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000958850335 722617868 /nfs/dbraw/zinc/61/78/68/722617868.db2.gz WNEBYZZOYQLANY-QPSCCSFWSA-N 1 3 340.468 -0.692 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000958850335 722617869 /nfs/dbraw/zinc/61/78/69/722617869.db2.gz WNEBYZZOYQLANY-QPSCCSFWSA-N 1 3 340.468 -0.692 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC000959968044 722778592 /nfs/dbraw/zinc/77/85/92/722778592.db2.gz RFNJXWPLVQGATP-NPCUJANDSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC000959968044 722778593 /nfs/dbraw/zinc/77/85/93/722778593.db2.gz RFNJXWPLVQGATP-NPCUJANDSA-N 1 3 334.464 -0.005 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000960407707 722826568 /nfs/dbraw/zinc/82/65/68/722826568.db2.gz GKPIFDGRMVQENN-VHDGCEQUSA-N 1 3 347.419 -0.658 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000960407707 722826569 /nfs/dbraw/zinc/82/65/69/722826569.db2.gz GKPIFDGRMVQENN-VHDGCEQUSA-N 1 3 347.419 -0.658 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)N(C)C ZINC001019032322 728777093 /nfs/dbraw/zinc/77/70/93/728777093.db2.gz PVOFMAQPVOVLNZ-UONOGXRCSA-N 1 3 346.497 -0.447 20 0 EBADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019044700 728780674 /nfs/dbraw/zinc/78/06/74/728780674.db2.gz YDLCYILXPHVKMW-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC[N@@H+]1C ZINC000964739298 724053186 /nfs/dbraw/zinc/05/31/86/724053186.db2.gz DFHAZUDPOBIJCP-YJNKXOJESA-N 1 3 349.435 -0.630 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC[N@H+]1C ZINC000964739298 724053189 /nfs/dbraw/zinc/05/31/89/724053189.db2.gz DFHAZUDPOBIJCP-YJNKXOJESA-N 1 3 349.435 -0.630 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001019380985 728875134 /nfs/dbraw/zinc/87/51/34/728875134.db2.gz UYTZTUPKOFKAOH-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001019380985 728875139 /nfs/dbraw/zinc/87/51/39/728875139.db2.gz UYTZTUPKOFKAOH-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO CN1CC[C@H](N[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001019496892 728900944 /nfs/dbraw/zinc/90/09/44/728900944.db2.gz DYAPFYUXHZOOAF-GJZGRUSLSA-N 1 3 348.451 -0.521 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC000969077295 725148648 /nfs/dbraw/zinc/14/86/48/725148648.db2.gz PBOYCCSNUMTIBW-BFHYXJOUSA-N 1 3 331.482 -0.048 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000969595212 725195874 /nfs/dbraw/zinc/19/58/74/725195874.db2.gz PBZHATLDDVEAQW-MGPQQGTHSA-N 1 3 329.466 -0.294 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000970717191 725320180 /nfs/dbraw/zinc/32/01/80/725320180.db2.gz KQYYKWIOKOWWSA-ZIAGYGMSSA-N 1 3 329.466 -0.293 20 0 EBADHO CC1(C)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC(N)=O ZINC000996069478 726329079 /nfs/dbraw/zinc/32/90/79/726329079.db2.gz JNNDXACGCYLMJC-HASVCBABSA-N 1 3 336.436 -0.839 20 0 EBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000996354942 726372525 /nfs/dbraw/zinc/37/25/25/726372525.db2.gz JXUAJEGGCXZQTH-CYBMUJFWSA-N 1 3 334.424 -0.196 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)cn1 ZINC000996403274 726387747 /nfs/dbraw/zinc/38/77/47/726387747.db2.gz VBAQCEOSQYDJRI-ZDUSSCGKSA-N 1 3 336.440 -0.630 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996821714 726428797 /nfs/dbraw/zinc/42/87/97/726428797.db2.gz HXGUMMSLDDESSK-TYTGLVAOSA-N 1 3 348.447 -0.681 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000997043563 726435664 /nfs/dbraw/zinc/43/56/64/726435664.db2.gz ZNDARAJAJJCALR-GFCCVEGCSA-N 1 3 340.449 -0.033 20 0 EBADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000997854394 726467345 /nfs/dbraw/zinc/46/73/45/726467345.db2.gz CWFFWOZMNWOGRN-UONOGXRCSA-N 1 3 338.452 -0.040 20 0 EBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998550533 726490616 /nfs/dbraw/zinc/49/06/16/726490616.db2.gz MVOLZIGDYQFNTH-BPCQOVAHSA-N 1 3 337.424 -0.789 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363074 726516332 /nfs/dbraw/zinc/51/63/32/726516332.db2.gz BYYUPAPHPMVOCQ-GJZGRUSLSA-N 1 3 337.468 -0.068 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CCN(CCO)C3)nn2)CC[N@@H+]1C ZINC000999988371 726547743 /nfs/dbraw/zinc/54/77/43/726547743.db2.gz UJWXJCCDXRPWBA-VHDGCEQUSA-N 1 3 336.440 -0.526 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CCN(CCO)C3)nn2)CC[N@H+]1C ZINC000999988371 726547744 /nfs/dbraw/zinc/54/77/44/726547744.db2.gz UJWXJCCDXRPWBA-VHDGCEQUSA-N 1 3 336.440 -0.526 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001000311253 726563502 /nfs/dbraw/zinc/56/35/02/726563502.db2.gz GXSWDWJDLJSVFE-CHWSQXEVSA-N 1 3 340.449 -0.033 20 0 EBADHO CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC001003496450 726676908 /nfs/dbraw/zinc/67/69/08/726676908.db2.gz KMDVUKIAPMGIIC-DZGCQCFKSA-N 1 3 340.468 -0.189 20 0 EBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCN2CCNC2=O)CC1 ZINC001006401577 726767817 /nfs/dbraw/zinc/76/78/17/726767817.db2.gz SLJNDZQJPSRTKY-CQSZACIVSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(CCN2CCNC2=O)CC1 ZINC001006401577 726767818 /nfs/dbraw/zinc/76/78/18/726767818.db2.gz SLJNDZQJPSRTKY-CQSZACIVSA-N 1 3 337.468 -0.114 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001011178095 727485042 /nfs/dbraw/zinc/48/50/42/727485042.db2.gz LUBGSHOROUORDZ-OAHLLOKOSA-N 1 3 331.420 -0.035 20 0 EBADHO CN1CC[C@@H](NC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)C1=O ZINC001051902984 735455155 /nfs/dbraw/zinc/45/51/55/735455155.db2.gz NTTCDKLDXQQSAY-ZIAGYGMSSA-N 1 3 336.436 -0.870 20 0 EBADHO Cn1nccc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051905137 735456279 /nfs/dbraw/zinc/45/62/79/735456279.db2.gz ZDSGFFRPTTYFLR-OAHLLOKOSA-N 1 3 333.436 -0.167 20 0 EBADHO O=C([C@H]1CCCc2nccn21)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052036937 735514431 /nfs/dbraw/zinc/51/44/31/735514431.db2.gz YLOZUNPGWRFZOR-JKSUJKDBSA-N 1 3 347.463 -0.029 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020588843 729205663 /nfs/dbraw/zinc/20/56/63/729205663.db2.gz ODJNMHYVZCTYHU-RBSFLKMASA-N 1 3 338.452 -0.576 20 0 EBADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001021328940 729305743 /nfs/dbraw/zinc/30/57/43/729305743.db2.gz NCLVFBBMDJAKJV-QNUXYTHOSA-N 1 3 335.448 -0.047 20 0 EBADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001021328940 729305745 /nfs/dbraw/zinc/30/57/45/729305745.db2.gz NCLVFBBMDJAKJV-QNUXYTHOSA-N 1 3 335.448 -0.047 20 0 EBADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455633 729496021 /nfs/dbraw/zinc/49/60/21/729496021.db2.gz XJUSIPHQMPTLFO-WAVPBHNRSA-N 1 3 336.436 -0.650 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001022597658 729516201 /nfs/dbraw/zinc/51/62/01/729516201.db2.gz MSYXQIPFFASQDO-VNHYZAJKSA-N 1 3 336.440 -0.339 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908439 730104713 /nfs/dbraw/zinc/10/47/13/730104713.db2.gz NHSPPDPQITXHFU-LNNSNTBGSA-N 1 3 347.459 -0.068 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908439 730104714 /nfs/dbraw/zinc/10/47/14/730104714.db2.gz NHSPPDPQITXHFU-LNNSNTBGSA-N 1 3 347.459 -0.068 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001027091673 730187665 /nfs/dbraw/zinc/18/76/65/730187665.db2.gz RPUHLMLIBOZGQT-CHWSQXEVSA-N 1 3 340.449 -0.175 20 0 EBADHO O=C(NC[C@@H]1CCN(CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001028545434 730311682 /nfs/dbraw/zinc/31/16/82/730311682.db2.gz QCAUTXXABWJOCF-HOCLYGCPSA-N 1 3 349.479 -0.209 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001034567728 731143156 /nfs/dbraw/zinc/14/31/56/731143156.db2.gz SBPWXINUCFCBGX-GXTWGEPZSA-N 1 3 347.419 -0.024 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760763 731524207 /nfs/dbraw/zinc/52/42/07/731524207.db2.gz SNEYINIZSYREIB-WMLDXEAASA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760763 731524210 /nfs/dbraw/zinc/52/42/10/731524210.db2.gz SNEYINIZSYREIB-WMLDXEAASA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760896 731524882 /nfs/dbraw/zinc/52/48/82/731524882.db2.gz VFKUZNJHWINELI-YOEHRIQHSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760896 731524884 /nfs/dbraw/zinc/52/48/84/731524884.db2.gz VFKUZNJHWINELI-YOEHRIQHSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001040448593 731737974 /nfs/dbraw/zinc/73/79/74/731737974.db2.gz AVKIYHOMPAIQJR-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001040448593 731737976 /nfs/dbraw/zinc/73/79/76/731737976.db2.gz AVKIYHOMPAIQJR-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040715783 731844248 /nfs/dbraw/zinc/84/42/48/731844248.db2.gz LAWGBRJZRNRGCY-KRWDZBQOSA-N 1 3 349.435 -0.626 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040716988 731845451 /nfs/dbraw/zinc/84/54/51/731845451.db2.gz AAFCBKRRRVAFFJ-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797404 731878782 /nfs/dbraw/zinc/87/87/82/731878782.db2.gz FYYWNLXHAPEPRS-YOEHRIQHSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001043461105 732952173 /nfs/dbraw/zinc/95/21/73/732952173.db2.gz BSLQLNADPBGXRF-HNNXBMFYSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001043709377 733070460 /nfs/dbraw/zinc/07/04/60/733070460.db2.gz WJTSIVQQDICUHX-AWEZNQCLSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044007185 733241758 /nfs/dbraw/zinc/24/17/58/733241758.db2.gz HFMRUCISXIATMW-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044007185 733241762 /nfs/dbraw/zinc/24/17/62/733241762.db2.gz HFMRUCISXIATMW-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044007184 733241795 /nfs/dbraw/zinc/24/17/95/733241795.db2.gz HFMRUCISXIATMW-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044007184 733241799 /nfs/dbraw/zinc/24/17/99/733241799.db2.gz HFMRUCISXIATMW-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251982 733341135 /nfs/dbraw/zinc/34/11/35/733341135.db2.gz WEDZZSPBUNHPFK-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001044297670 733364067 /nfs/dbraw/zinc/36/40/67/733364067.db2.gz BFSOQKQQNNMZQH-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001044297670 733364069 /nfs/dbraw/zinc/36/40/69/733364069.db2.gz BFSOQKQQNNMZQH-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001045070838 733571323 /nfs/dbraw/zinc/57/13/23/733571323.db2.gz YSTFILPCFOOPTA-KBPBESRZSA-N 1 3 336.436 -0.144 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001061828027 738772904 /nfs/dbraw/zinc/77/29/04/738772904.db2.gz OKSTXMOOEVHIMW-AWEZNQCLSA-N 1 3 349.435 -0.362 20 0 EBADHO C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001046903670 734056922 /nfs/dbraw/zinc/05/69/22/734056922.db2.gz RWKMTOPESTYTCW-WBMJQRKESA-N 1 3 333.392 -0.414 20 0 EBADHO C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504865 734229983 /nfs/dbraw/zinc/22/99/83/734229983.db2.gz VJMUKKCVCCHHSJ-XBFCOCLRSA-N 1 3 325.409 -0.161 20 0 EBADHO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2CN(C)C)C1 ZINC001047504865 734229987 /nfs/dbraw/zinc/22/99/87/734229987.db2.gz VJMUKKCVCCHHSJ-XBFCOCLRSA-N 1 3 325.409 -0.161 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907595 738810393 /nfs/dbraw/zinc/81/03/93/738810393.db2.gz KJWYWOIIJVRKHQ-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048823409 734525642 /nfs/dbraw/zinc/52/56/42/734525642.db2.gz CGZRFPOYAXJRJG-ARLBYUKCSA-N 1 3 334.464 -0.147 20 0 EBADHO CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001048880589 734555063 /nfs/dbraw/zinc/55/50/63/734555063.db2.gz HXTGUNCTOJCKQG-GJZGRUSLSA-N 1 3 342.484 -0.300 20 0 EBADHO CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001048880589 734555066 /nfs/dbraw/zinc/55/50/66/734555066.db2.gz HXTGUNCTOJCKQG-GJZGRUSLSA-N 1 3 342.484 -0.300 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)N(C)C ZINC001048996134 734605762 /nfs/dbraw/zinc/60/57/62/734605762.db2.gz QDGCUEVEICHOLZ-DZKIICNBSA-N 1 3 342.484 -0.446 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049058501 734630246 /nfs/dbraw/zinc/63/02/46/734630246.db2.gz FHAJDOPIBBZZSS-WCVJEAGWSA-N 1 3 334.464 -0.051 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049058501 734630247 /nfs/dbraw/zinc/63/02/47/734630247.db2.gz FHAJDOPIBBZZSS-WCVJEAGWSA-N 1 3 334.464 -0.051 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059090 734630824 /nfs/dbraw/zinc/63/08/24/734630824.db2.gz NGLNSUNHHVNXSP-HRCADAONSA-N 1 3 349.479 -0.256 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059090 734630825 /nfs/dbraw/zinc/63/08/25/734630825.db2.gz NGLNSUNHHVNXSP-HRCADAONSA-N 1 3 349.479 -0.256 20 0 EBADHO CC(C)[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)N(C)C ZINC001049150067 734664151 /nfs/dbraw/zinc/66/41/51/734664151.db2.gz QDGCUEVEICHOLZ-OFQRWUPVSA-N 1 3 342.484 -0.446 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435880 734729906 /nfs/dbraw/zinc/72/99/06/734729906.db2.gz VFUGZXVLZPLMEM-KKUMJFAQSA-N 1 3 340.468 -0.548 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050099899 734841746 /nfs/dbraw/zinc/84/17/46/734841746.db2.gz NDGVXQRVAPDZKR-HNCZQISISA-N 1 3 335.448 -0.235 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050099899 734841750 /nfs/dbraw/zinc/84/17/50/734841750.db2.gz NDGVXQRVAPDZKR-HNCZQISISA-N 1 3 335.448 -0.235 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754042 734954577 /nfs/dbraw/zinc/95/45/77/734954577.db2.gz NSSHDYKQKCQMDK-KGLIPLIRSA-N 1 3 348.447 -0.332 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754042 734954578 /nfs/dbraw/zinc/95/45/78/734954578.db2.gz NSSHDYKQKCQMDK-KGLIPLIRSA-N 1 3 348.447 -0.332 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052654297 735664331 /nfs/dbraw/zinc/66/43/31/735664331.db2.gz XUSPFPYNBJRAGE-UONOGXRCSA-N 1 3 326.441 -0.448 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052654297 735664335 /nfs/dbraw/zinc/66/43/35/735664335.db2.gz XUSPFPYNBJRAGE-UONOGXRCSA-N 1 3 326.441 -0.448 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001056104340 736642990 /nfs/dbraw/zinc/64/29/90/736642990.db2.gz CVLKEGMAJOOVGF-RHSMWYFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104589 736643367 /nfs/dbraw/zinc/64/33/67/736643367.db2.gz DZBVKLAAEZZWDC-QGZVFWFLSA-N 1 3 342.484 -0.252 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001057636712 737377030 /nfs/dbraw/zinc/37/70/30/737377030.db2.gz XJUXUAABGJDDPM-CABCVRRESA-N 1 3 340.468 -0.783 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001057636712 737377033 /nfs/dbraw/zinc/37/70/33/737377033.db2.gz XJUXUAABGJDDPM-CABCVRRESA-N 1 3 340.468 -0.783 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001057741015 737428920 /nfs/dbraw/zinc/42/89/20/737428920.db2.gz JXDCUWLHYMJISZ-KFWWJZLASA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001057741015 737428921 /nfs/dbraw/zinc/42/89/21/737428921.db2.gz JXDCUWLHYMJISZ-KFWWJZLASA-N 1 3 342.484 -0.396 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876329 737495445 /nfs/dbraw/zinc/49/54/45/737495445.db2.gz HLVWKLLPIXGWHT-HUUCEWRRSA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876413 737495741 /nfs/dbraw/zinc/49/57/41/737495741.db2.gz JAGITKLKMQMOSG-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CN(CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001057903716 737522873 /nfs/dbraw/zinc/52/28/73/737522873.db2.gz UULWKYLYZUZPEM-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001057903716 737522874 /nfs/dbraw/zinc/52/28/74/737522874.db2.gz UULWKYLYZUZPEM-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942783 737546674 /nfs/dbraw/zinc/54/66/74/737546674.db2.gz USYHQCYGOYUFBC-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)C(C)(C)[N@@H+](C)CC ZINC001057942783 737546677 /nfs/dbraw/zinc/54/66/77/737546677.db2.gz USYHQCYGOYUFBC-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001057975473 737572524 /nfs/dbraw/zinc/57/25/24/737572524.db2.gz TUXLWASJKMIOBM-HUUCEWRRSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001057975473 737572530 /nfs/dbraw/zinc/57/25/30/737572530.db2.gz TUXLWASJKMIOBM-HUUCEWRRSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057993984 737582084 /nfs/dbraw/zinc/58/20/84/737582084.db2.gz FLUOMOSZUNRUHA-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994270 737582547 /nfs/dbraw/zinc/58/25/47/737582547.db2.gz PVQDCJVDXJLTDQ-UHFFFAOYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001058251063 737734387 /nfs/dbraw/zinc/73/43/87/737734387.db2.gz UEEJHPKZCQDXHT-HUUCEWRRSA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001058251063 737734388 /nfs/dbraw/zinc/73/43/88/737734388.db2.gz UEEJHPKZCQDXHT-HUUCEWRRSA-N 1 3 342.484 -0.539 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058253747 737736022 /nfs/dbraw/zinc/73/60/22/737736022.db2.gz GTLOZPLDFKUTSW-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058253747 737736024 /nfs/dbraw/zinc/73/60/24/737736024.db2.gz GTLOZPLDFKUTSW-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058255560 737738139 /nfs/dbraw/zinc/73/81/39/737738139.db2.gz UVYUXJYPCNTTJG-HUUCEWRRSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001058255560 737738140 /nfs/dbraw/zinc/73/81/40/737738140.db2.gz UVYUXJYPCNTTJG-HUUCEWRRSA-N 1 3 342.484 -0.537 20 0 EBADHO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C(C)(C)N1CCCC1 ZINC001058286297 737758212 /nfs/dbraw/zinc/75/82/12/737758212.db2.gz JRZLOFPUHFBHHQ-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CN(C)[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1CC1 ZINC001058709080 737960047 /nfs/dbraw/zinc/96/00/47/737960047.db2.gz GYGOVYLQPSWABV-HNNXBMFYSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001058815048 738002837 /nfs/dbraw/zinc/00/28/37/738002837.db2.gz JHRUWSRLANGTHL-MRXNPFEDSA-N 1 3 344.500 -0.149 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001058815048 738002840 /nfs/dbraw/zinc/00/28/40/738002840.db2.gz JHRUWSRLANGTHL-MRXNPFEDSA-N 1 3 344.500 -0.149 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058849362 738031690 /nfs/dbraw/zinc/03/16/90/738031690.db2.gz SMUAVQKPVUWLEG-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001058849362 738031693 /nfs/dbraw/zinc/03/16/93/738031693.db2.gz SMUAVQKPVUWLEG-GJZGRUSLSA-N 1 3 342.484 -0.539 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001065259366 739616968 /nfs/dbraw/zinc/61/69/68/739616968.db2.gz AIWBSFOOCYGPPC-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001065260096 739617350 /nfs/dbraw/zinc/61/73/50/739617350.db2.gz IAWFKNNNHTZYCZ-GOEBONIOSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065574707 739771239 /nfs/dbraw/zinc/77/12/39/739771239.db2.gz MBVZUOGKYGMXET-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069015444 740524034 /nfs/dbraw/zinc/52/40/34/740524034.db2.gz RRHXEQFSTPNACL-ZDUSSCGKSA-N 1 3 335.408 -0.610 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070689919 740920875 /nfs/dbraw/zinc/92/08/75/740920875.db2.gz XCOCIWXQDNGHOH-RBSFLKMASA-N 1 3 335.452 -0.219 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070689775 740920959 /nfs/dbraw/zinc/92/09/59/740920959.db2.gz OQXFPQAQIDZGOM-RRFJBIMHSA-N 1 3 335.452 -0.362 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072150970 741322490 /nfs/dbraw/zinc/32/24/90/741322490.db2.gz WJWSLIFBVNDKKU-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001072477870 741410997 /nfs/dbraw/zinc/41/09/97/741410997.db2.gz CKCWCHSAPSSCKW-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001073700644 741713862 /nfs/dbraw/zinc/71/38/62/741713862.db2.gz SNQNGVVSRIEJDU-DGNOSDGRSA-N 1 3 339.436 -0.951 20 0 EBADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001073700644 741713865 /nfs/dbraw/zinc/71/38/65/741713865.db2.gz SNQNGVVSRIEJDU-DGNOSDGRSA-N 1 3 339.436 -0.951 20 0 EBADHO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001074594410 742018279 /nfs/dbraw/zinc/01/82/79/742018279.db2.gz YPQBRPMEIRXZLE-UHFFFAOYSA-N 1 3 340.468 -0.496 20 0 EBADHO NC(=O)C[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075395625 742222444 /nfs/dbraw/zinc/22/24/44/742222444.db2.gz TWLJJXVTFFPCPG-HIFRSBDPSA-N 1 3 349.435 -0.187 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3CN(CCCO)C[C@H]32)n1 ZINC001075803924 742303087 /nfs/dbraw/zinc/30/30/87/742303087.db2.gz KMCVNCBMQXTAGF-GOEBONIOSA-N 1 3 335.452 -0.027 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076206417 742405670 /nfs/dbraw/zinc/40/56/70/742405670.db2.gz NQZYJJYRKWHMNK-RRFJBIMHSA-N 1 3 348.447 -0.334 20 0 EBADHO O=C(N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467312 742477359 /nfs/dbraw/zinc/47/73/59/742477359.db2.gz IVEJZKFYDQRXLL-BFHYXJOUSA-N 1 3 346.431 -0.580 20 0 EBADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C)N(C)C ZINC001077516302 743044785 /nfs/dbraw/zinc/04/47/85/743044785.db2.gz KBJGXHYDSBHBLB-KBPBESRZSA-N 1 3 330.473 -0.084 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201266 804211396 /nfs/dbraw/zinc/21/13/96/804211396.db2.gz FXGNQPMXJJYSQF-HSMHQDCBSA-N 1 3 331.420 -0.277 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201266 804211404 /nfs/dbraw/zinc/21/14/04/804211404.db2.gz FXGNQPMXJJYSQF-HSMHQDCBSA-N 1 3 331.420 -0.277 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201262 804212247 /nfs/dbraw/zinc/21/22/47/804212247.db2.gz FXGNQPMXJJYSQF-CKTDYHTKSA-N 1 3 331.420 -0.277 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201262 804212255 /nfs/dbraw/zinc/21/22/55/804212255.db2.gz FXGNQPMXJJYSQF-CKTDYHTKSA-N 1 3 331.420 -0.277 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201264 804212472 /nfs/dbraw/zinc/21/24/72/804212472.db2.gz FXGNQPMXJJYSQF-DOCVPZNWSA-N 1 3 331.420 -0.277 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201264 804212486 /nfs/dbraw/zinc/21/24/86/804212486.db2.gz FXGNQPMXJJYSQF-DOCVPZNWSA-N 1 3 331.420 -0.277 20 0 EBADHO COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552046 804860136 /nfs/dbraw/zinc/86/01/36/804860136.db2.gz FHEWDNMAGROJCX-UAEIHBMGSA-N 1 3 335.448 -0.210 20 0 EBADHO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552046 804860142 /nfs/dbraw/zinc/86/01/42/804860142.db2.gz FHEWDNMAGROJCX-UAEIHBMGSA-N 1 3 335.448 -0.210 20 0 EBADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978959982 805064163 /nfs/dbraw/zinc/06/41/63/805064163.db2.gz MGKSZBFVWYOWTK-TUVASFSCSA-N 1 3 334.464 -0.147 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214344708 810240174 /nfs/dbraw/zinc/24/01/74/810240174.db2.gz XFYHMTMTPWREEO-KFWWJZLASA-N 1 3 340.468 -0.330 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214343921 810240434 /nfs/dbraw/zinc/24/04/34/810240434.db2.gz JTFKTWYFPUKWOU-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214847508 810285728 /nfs/dbraw/zinc/28/57/28/810285728.db2.gz HNWGNBPGWCSKFF-IJLUTSLNSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214861158 810286841 /nfs/dbraw/zinc/28/68/41/810286841.db2.gz JVMCFQGWIOYNGM-ZYHUDNBSSA-N 1 3 325.413 -0.898 20 0 EBADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401591 810371241 /nfs/dbraw/zinc/37/12/41/810371241.db2.gz NNHKKEBGNPXWKA-ZIAGYGMSSA-N 1 3 328.457 -0.474 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC001218324220 810487663 /nfs/dbraw/zinc/48/76/63/810487663.db2.gz HLVISAZGVTUSOM-IVZWLZJFSA-N 1 3 336.392 -0.253 20 0 EBADHO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218874153 810538958 /nfs/dbraw/zinc/53/89/58/810538958.db2.gz UAOSDGTXTYQCBG-CQSZACIVSA-N 1 3 329.404 -0.630 20 0 EBADHO CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219631170 810780979 /nfs/dbraw/zinc/78/09/79/810780979.db2.gz SVKVIHRSIRCAEC-ILXRZTDVSA-N 1 3 342.484 -0.043 20 0 EBADHO C[S@](=O)CC[C@H](N)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788979 810841400 /nfs/dbraw/zinc/84/14/00/810841400.db2.gz ULYFVTOXRZKMAG-BWFKNJDFSA-N 1 3 326.466 -0.190 20 0 EBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219847803 810878462 /nfs/dbraw/zinc/87/84/62/810878462.db2.gz SOWMDTKUZGVHDO-ZQDZILKHSA-N 1 3 345.447 -0.230 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCC[NH2+]CCO ZINC001219918461 810906754 /nfs/dbraw/zinc/90/67/54/810906754.db2.gz MVXKNTKYIHDUBD-AVGNSLFASA-N 1 3 348.513 -0.704 20 0 EBADHO CCOC(=O)C(=CNC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)OCC ZINC001220041582 810957171 /nfs/dbraw/zinc/95/71/71/810957171.db2.gz RQSJEXCXUPFPQC-LBPRGKRZSA-N 1 3 327.381 -0.560 20 0 EBADHO N[C@@H](C(=O)NCCCCCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1 ZINC001220127412 810993168 /nfs/dbraw/zinc/99/31/68/810993168.db2.gz UHFIPJYEUMZDMS-MRXNPFEDSA-N 1 3 336.436 -0.085 20 0 EBADHO COC(=O)[C@]1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CCN(Cc2ccccc2)C1 ZINC001220228285 811025899 /nfs/dbraw/zinc/02/58/99/811025899.db2.gz HJEHTCKVPWNEKI-MPGHIAIKSA-N 1 3 346.431 -0.391 20 0 EBADHO COC(=O)[C@]1(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CCN(Cc2ccccc2)C1 ZINC001220228285 811025906 /nfs/dbraw/zinc/02/59/06/811025906.db2.gz HJEHTCKVPWNEKI-MPGHIAIKSA-N 1 3 346.431 -0.391 20 0 EBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1ncn2c1CNCCC2 ZINC001220313705 811051614 /nfs/dbraw/zinc/05/16/14/811051614.db2.gz SXZYLPRZQBCUOZ-ZDUSSCGKSA-N 1 3 336.440 -0.374 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC1COC1 ZINC001220340432 811061995 /nfs/dbraw/zinc/06/19/95/811061995.db2.gz DKMPQMUOIDTNJL-KBPBESRZSA-N 1 3 326.441 -0.414 20 0 EBADHO CCOC(=O)c1cccc(CNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001220403354 811097114 /nfs/dbraw/zinc/09/71/14/811097114.db2.gz OTXAYPAKXWMOIE-NSHDSACASA-N 1 3 326.422 -0.106 20 0 EBADHO CCCn1c(NC(=O)[C@@H](N)CCC[NH3+])cc(=O)n(CCC)c1=O ZINC001220424589 811102762 /nfs/dbraw/zinc/10/27/62/811102762.db2.gz LWQVKNMKZUXCSY-NSHDSACASA-N 1 3 325.413 -0.165 20 0 EBADHO CC(C)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)N1CCOCC1 ZINC001220453473 811112603 /nfs/dbraw/zinc/11/26/03/811112603.db2.gz DJAQSHABQUPQFS-JKIFEVAISA-N 1 3 338.452 -0.815 20 0 EBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519638 811136020 /nfs/dbraw/zinc/13/60/20/811136020.db2.gz WCFLWHHUIMVTKN-GFCCVEGCSA-N 1 3 333.429 -0.456 20 0 EBADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220565903 811158183 /nfs/dbraw/zinc/15/81/83/811158183.db2.gz USDXDOANCHQGQC-KGLIPLIRSA-N 1 3 332.404 -0.519 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)C[NH2+]C1 ZINC001220828839 811257910 /nfs/dbraw/zinc/25/79/10/811257910.db2.gz VFVUKECVIKNSJT-ZDUSSCGKSA-N 1 3 346.387 -0.808 20 0 EBADHO O=C(NCC1CCN(c2cnccn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220933062 811299286 /nfs/dbraw/zinc/29/92/86/811299286.db2.gz UULUCRGZYMBTKA-AWEZNQCLSA-N 1 3 330.436 -0.382 20 0 EBADHO N[C@@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936346 811301779 /nfs/dbraw/zinc/30/17/79/811301779.db2.gz FHFCESFTOZZARZ-UONOGXRCSA-N 1 3 327.425 -0.258 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220970829 811317828 /nfs/dbraw/zinc/31/78/28/811317828.db2.gz JCJYDKBZWXGXED-CABCVRRESA-N 1 3 346.431 -0.797 20 0 EBADHO O=C(NCc1cccc(N2CCOCC2=O)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220990730 811330271 /nfs/dbraw/zinc/33/02/71/811330271.db2.gz WSWGRGQWFCPGCR-OAHLLOKOSA-N 1 3 344.415 -0.525 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCCCO ZINC001221283658 811432282 /nfs/dbraw/zinc/43/22/82/811432282.db2.gz ZSCOIAPJDHMSGZ-KBPBESRZSA-N 1 3 328.457 -0.288 20 0 EBADHO CCOC(=O)[C@@H]1CNCCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001222080319 811593517 /nfs/dbraw/zinc/59/35/17/811593517.db2.gz JGIHYSKNJXYAFL-HNNXBMFYSA-N 1 3 334.420 -0.288 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC4(CC3)C[NH2+]CCO4)[C@@H](O)[C@@H]2O1 ZINC001222207688 811609657 /nfs/dbraw/zinc/60/96/57/811609657.db2.gz CYBAPUROFVRVIQ-CRWXNKLISA-N 1 3 328.409 -0.322 20 0 EBADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079807352 811734723 /nfs/dbraw/zinc/73/47/23/811734723.db2.gz SKVMDXUNPFXHFW-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CN1CC[C@H](N2CCC(CNC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001225167911 811797058 /nfs/dbraw/zinc/79/70/58/811797058.db2.gz FPXYKCVPWWVKEG-HNNXBMFYSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001229877717 812060804 /nfs/dbraw/zinc/06/08/04/812060804.db2.gz YLSFMMMKNCILIW-YNEHKIRRSA-N 1 3 341.456 -0.071 20 0 EBADHO CC(=O)NCCOCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262567 812093583 /nfs/dbraw/zinc/09/35/83/812093583.db2.gz GNZRCJQYVSUUDL-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262567 812093593 /nfs/dbraw/zinc/09/35/93/812093593.db2.gz GNZRCJQYVSUUDL-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001230275000 812096343 /nfs/dbraw/zinc/09/63/43/812096343.db2.gz XSVGQNAUYOZNFT-YNEHKIRRSA-N 1 3 341.456 -0.073 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230284679 812097308 /nfs/dbraw/zinc/09/73/08/812097308.db2.gz QBZAKRMZPTUINE-VXGBXAGGSA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080889958 812323609 /nfs/dbraw/zinc/32/36/09/812323609.db2.gz GESIYIHJNNETER-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCOC(=O)C1=C(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CCNC1 ZINC001245996484 812558549 /nfs/dbraw/zinc/55/85/49/812558549.db2.gz RMMXANJWJLMXSO-LBPRGKRZSA-N 1 3 327.425 -0.748 20 0 EBADHO CCOC(=O)[C@]12C[N@H+](C[C@H](O)CN3CCOCC3)C[C@H]1CNCC2 ZINC001246046428 812561268 /nfs/dbraw/zinc/56/12/68/812561268.db2.gz NIMIMFJIUXIMJF-BFYDXBDKSA-N 1 3 341.452 -0.846 20 0 EBADHO CCOC(=O)[C@]12C[N@@H+](C[C@H](O)CN3CCOCC3)C[C@H]1CNCC2 ZINC001246046428 812561272 /nfs/dbraw/zinc/56/12/72/812561272.db2.gz NIMIMFJIUXIMJF-BFYDXBDKSA-N 1 3 341.452 -0.846 20 0 EBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C[C@@H]1C(=O)OC ZINC001246085897 812565069 /nfs/dbraw/zinc/56/50/69/812565069.db2.gz AZZWIWPUVAHWOT-QKZHPOIUSA-N 1 3 332.372 -0.621 20 0 EBADHO CCOC(=O)CC1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CNC1 ZINC001246245749 812569289 /nfs/dbraw/zinc/56/92/89/812569289.db2.gz ASQPXQIBHQPSLU-AKJUYKBHSA-N 1 3 339.436 -0.057 20 0 EBADHO O=C([C@@H]1C[C@H](N2CC[C@H]3COC[C@@H](C2)N3)C[NH2+]1)N1CCSC1 ZINC001246851425 812590875 /nfs/dbraw/zinc/59/08/75/812590875.db2.gz GAKGHWMTNJEYIY-CRWXNKLISA-N 1 3 326.466 -0.688 20 0 EBADHO COC(=O)CC[N@H+](CCCN(C)C)C[C@@H](O)CN1CCOCC1 ZINC001251015970 812614711 /nfs/dbraw/zinc/61/47/11/812614711.db2.gz PXMPAQGQMLDMQQ-OAHLLOKOSA-N 1 3 331.457 -0.504 20 0 EBADHO COC(=O)CC[N@@H+](CCCN(C)C)C[C@@H](O)CN1CCOCC1 ZINC001251015970 812614714 /nfs/dbraw/zinc/61/47/14/812614714.db2.gz PXMPAQGQMLDMQQ-OAHLLOKOSA-N 1 3 331.457 -0.504 20 0 EBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001261636119 812957961 /nfs/dbraw/zinc/95/79/61/812957961.db2.gz ZHURMJIXFSSICA-YUELXQCFSA-N 1 3 336.436 -0.824 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc[nH]c1=O ZINC001261798942 812986131 /nfs/dbraw/zinc/98/61/31/812986131.db2.gz YOPJPCONYDNSNJ-UHFFFAOYSA-N 1 3 337.424 -0.645 20 0 EBADHO CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001262202937 813046644 /nfs/dbraw/zinc/04/66/44/813046644.db2.gz HCVDPULYXROFLK-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO C[C@@H]1CN(CCO)CCN1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001262593552 813097535 /nfs/dbraw/zinc/09/75/35/813097535.db2.gz WUAPBTSKYDUFHH-MRXNPFEDSA-N 1 3 341.500 -0.230 20 0 EBADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081571204 813207160 /nfs/dbraw/zinc/20/71/60/813207160.db2.gz GIXRPYHFUUQIFD-KGLIPLIRSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081571205 813207202 /nfs/dbraw/zinc/20/72/02/813207202.db2.gz GIXRPYHFUUQIFD-UONOGXRCSA-N 1 3 342.484 -0.396 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC1 ZINC001081700347 813437232 /nfs/dbraw/zinc/43/72/32/813437232.db2.gz HJPNFDAJXAXGOB-GXTWGEPZSA-N 1 3 349.435 -0.771 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001081702966 813441685 /nfs/dbraw/zinc/44/16/85/813441685.db2.gz KKYMKYOKWQGSOW-TZMCWYRMSA-N 1 3 337.424 -0.771 20 0 EBADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001266724176 813651496 /nfs/dbraw/zinc/65/14/96/813651496.db2.gz HCDNVBRYSHJSCE-CYBMUJFWSA-N 1 3 331.482 -0.047 20 0 EBADHO CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267025187 813738282 /nfs/dbraw/zinc/73/82/82/813738282.db2.gz MEEULTOCHJIJOZ-STQMWFEESA-N 1 3 332.470 -0.932 20 0 EBADHO CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267025187 813738286 /nfs/dbraw/zinc/73/82/86/813738286.db2.gz MEEULTOCHJIJOZ-STQMWFEESA-N 1 3 332.470 -0.932 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267280380 813820697 /nfs/dbraw/zinc/82/06/97/813820697.db2.gz ADDXGKMEILETTA-HZPDHXFCSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267280380 813820709 /nfs/dbraw/zinc/82/07/09/813820709.db2.gz ADDXGKMEILETTA-HZPDHXFCSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCCO1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456892 813902453 /nfs/dbraw/zinc/90/24/53/813902453.db2.gz MOHZITWABSULLZ-CQSZACIVSA-N 1 3 338.452 -0.575 20 0 EBADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082518055 813961624 /nfs/dbraw/zinc/96/16/24/813961624.db2.gz XDNSIJYMCYUBJU-UMVBOHGHSA-N 1 3 348.451 -0.617 20 0 EBADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820205 814049197 /nfs/dbraw/zinc/04/91/97/814049197.db2.gz OMQMIFYOHGYHDW-KGLIPLIRSA-N 1 3 338.452 -0.038 20 0 EBADHO CCN(CCNCC(=O)NC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268458153 814249221 /nfs/dbraw/zinc/24/92/21/814249221.db2.gz FVAQMULDGWZRQU-UHFFFAOYSA-N 1 3 339.440 -0.505 20 0 EBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001268920915 814442987 /nfs/dbraw/zinc/44/29/87/814442987.db2.gz YWAVDSIVECCJAY-TZMCWYRMSA-N 1 3 326.441 -0.184 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091630 816226444 /nfs/dbraw/zinc/22/64/44/816226444.db2.gz HHCKDODCFSCNCN-FQLMCAECSA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091630 816226447 /nfs/dbraw/zinc/22/64/47/816226447.db2.gz HHCKDODCFSCNCN-FQLMCAECSA-N 1 3 348.451 -0.337 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CCC1 ZINC001272435531 816429666 /nfs/dbraw/zinc/42/96/66/816429666.db2.gz TYJBDSOQHJASAN-CYBMUJFWSA-N 1 3 326.441 -0.840 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086996968 816440042 /nfs/dbraw/zinc/44/00/42/816440042.db2.gz DGCQPFMDNULRNY-CWRNSKLLSA-N 1 3 335.452 -0.219 20 0 EBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087088008 816460769 /nfs/dbraw/zinc/46/07/69/816460769.db2.gz GBKPUIHWTYFZDX-KWCYVHTRSA-N 1 3 335.408 -0.706 20 0 EBADHO C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001273019314 816568695 /nfs/dbraw/zinc/56/86/95/816568695.db2.gz VHJCJMIAEZIWBY-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH+](C)CCN1CC[C@@]2(CCN(CC(=O)N3CCOCC3)C2)C1=O ZINC001273762113 816752209 /nfs/dbraw/zinc/75/22/09/816752209.db2.gz JFHJHYUIALHGGD-QGZVFWFLSA-N 1 3 338.452 -0.669 20 0 EBADHO C[NH+](C)CCN1CC[C@]2(CCN(CC(=O)N3CCOCC3)C2)C1=O ZINC001273762112 816752626 /nfs/dbraw/zinc/75/26/26/816752626.db2.gz JFHJHYUIALHGGD-KRWDZBQOSA-N 1 3 338.452 -0.669 20 0 EBADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@H]3COCCO3)C2)OCC1=O ZINC001273773094 816755946 /nfs/dbraw/zinc/75/59/46/816755946.db2.gz BVBVEMJHRYTKMD-HOCLYGCPSA-N 1 3 327.425 -0.733 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)n1 ZINC001274034899 816845526 /nfs/dbraw/zinc/84/55/26/816845526.db2.gz IZIIZCHZEIMEIS-VQTKUKTRSA-N 1 3 348.451 -0.401 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001275417505 817211815 /nfs/dbraw/zinc/21/18/15/817211815.db2.gz KPIVULJKRSCBEJ-KBPBESRZSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001277074638 817517981 /nfs/dbraw/zinc/51/79/81/817517981.db2.gz LGYHWAGXLSHHMX-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1CCNC1=O)N(C)C ZINC001277883552 817652139 /nfs/dbraw/zinc/65/21/39/817652139.db2.gz KCVGZARVUMEKEJ-UONOGXRCSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399174 817752691 /nfs/dbraw/zinc/75/26/91/817752691.db2.gz VATFDTVNUCYZOO-JSGCOSHPSA-N 1 3 346.497 -0.544 20 0 EBADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(CCCN2C(=O)CNC2=O)C1 ZINC001278419962 817759035 /nfs/dbraw/zinc/75/90/35/817759035.db2.gz JBXDAHUVRVFYMX-MRXNPFEDSA-N 1 3 339.440 -0.539 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001278424365 817759700 /nfs/dbraw/zinc/75/97/00/817759700.db2.gz QEAWXDUHSHPXJS-OLZOCXBDSA-N 1 3 334.486 -0.545 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001278424367 817759980 /nfs/dbraw/zinc/75/99/80/817759980.db2.gz QEAWXDUHSHPXJS-STQMWFEESA-N 1 3 334.486 -0.545 20 0 EBADHO CN(CCOCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001279430196 817930600 /nfs/dbraw/zinc/93/06/00/817930600.db2.gz XDWXQTJVCXBDMM-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@H](NCCOCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001279450457 817934759 /nfs/dbraw/zinc/93/47/59/817934759.db2.gz PIZTWUVIJABDGT-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001279837973 817992519 /nfs/dbraw/zinc/99/25/19/817992519.db2.gz GJJZNQOFUAVAFV-CYBMUJFWSA-N 1 3 333.396 -0.858 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNCC(=O)N2CCCC2)C1 ZINC001279886742 818002174 /nfs/dbraw/zinc/00/21/74/818002174.db2.gz UNXRNAJNQGLDND-HNNXBMFYSA-N 1 3 340.468 -0.639 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNCC(=O)N2CCCC2)C1 ZINC001279886742 818002182 /nfs/dbraw/zinc/00/21/82/818002182.db2.gz UNXRNAJNQGLDND-HNNXBMFYSA-N 1 3 340.468 -0.639 20 0 EBADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001282066481 818352774 /nfs/dbraw/zinc/35/27/74/818352774.db2.gz LGYHWAGXLSHHMX-BPCQOVAHSA-N 1 3 339.440 -0.637 20 0 EBADHO C[NH+](C)CCCC(=O)N1C[C@H](N[C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313856 819180724 /nfs/dbraw/zinc/18/07/24/819180724.db2.gz TXIMXKRDJFIWOJ-STQMWFEESA-N 1 3 338.452 -0.040 20 0 EBADHO COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449794 819194928 /nfs/dbraw/zinc/19/49/28/819194928.db2.gz NEHOXMVHXXPPAT-HZPDHXFCSA-N 1 3 343.468 -0.627 20 0 EBADHO COC[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449794 819194932 /nfs/dbraw/zinc/19/49/32/819194932.db2.gz NEHOXMVHXXPPAT-HZPDHXFCSA-N 1 3 343.468 -0.627 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](CCO)CCCO)CC2)C1 ZINC001098477708 819208703 /nfs/dbraw/zinc/20/87/03/819208703.db2.gz FYSUEEZTHGSVHN-OAHLLOKOSA-N 1 3 327.469 -0.004 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](CCO)CCCO)CC2)C1 ZINC001098477708 819208707 /nfs/dbraw/zinc/20/87/07/819208707.db2.gz FYSUEEZTHGSVHN-OAHLLOKOSA-N 1 3 327.469 -0.004 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286017397 819868030 /nfs/dbraw/zinc/86/80/30/819868030.db2.gz AYHDCWJRJDDQMT-UHFFFAOYSA-N 1 3 328.457 -0.426 20 0 EBADHO CCOCCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050693 820125945 /nfs/dbraw/zinc/12/59/45/820125945.db2.gz LOGXHRIXPJEUTF-JKSUJKDBSA-N 1 3 343.468 -0.315 20 0 EBADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001100405707 820405796 /nfs/dbraw/zinc/40/57/96/820405796.db2.gz JVAYDZZAWDETOO-WXRRBKDZSA-N 1 3 336.436 -0.240 20 0 EBADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001100405861 820406050 /nfs/dbraw/zinc/40/60/50/820406050.db2.gz PZLIUQGVJPIHDY-UHFFFAOYSA-N 1 3 337.468 -0.020 20 0 EBADHO C[C@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001100405810 820406077 /nfs/dbraw/zinc/40/60/77/820406077.db2.gz NJCDSRWELNQDGW-UNXYVOJBSA-N 1 3 339.440 -0.462 20 0 EBADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC001100407748 820407219 /nfs/dbraw/zinc/40/72/19/820407219.db2.gz IDSGCUKKZHUEAB-ZALBZXLWSA-N 1 3 337.468 -0.164 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001100443444 820423542 /nfs/dbraw/zinc/42/35/42/820423542.db2.gz HQIDYFGIQNUTMN-JXQTWKCFSA-N 1 3 325.457 -0.164 20 0 EBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001100522693 820455102 /nfs/dbraw/zinc/45/51/02/820455102.db2.gz BBMAWAJUUUMAHE-ZZTKBFGJSA-N 1 3 336.436 -0.920 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001101035830 820660181 /nfs/dbraw/zinc/66/01/81/820660181.db2.gz AXQHUBOLMFVOGN-UHFFFAOYSA-N 1 3 325.457 -0.164 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001101036196 820661584 /nfs/dbraw/zinc/66/15/84/820661584.db2.gz KCWMJZVBIITDKM-UHFFFAOYSA-N 1 3 334.486 -0.640 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398107 821306396 /nfs/dbraw/zinc/30/63/96/821306396.db2.gz CWHAZFPXDQKDND-FRRDWIJNSA-N 1 3 341.456 -0.404 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001316622428 821818754 /nfs/dbraw/zinc/81/87/54/821818754.db2.gz NVEJFKOYWNHUNE-QVHKTLOISA-N 1 3 338.452 -0.138 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317305650 822076861 /nfs/dbraw/zinc/07/68/61/822076861.db2.gz GIPBMXLVWBAGNU-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317309467 822079206 /nfs/dbraw/zinc/07/92/06/822079206.db2.gz POMPDCHHSMSSIF-AWEZNQCLSA-N 1 3 346.497 -0.446 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001128533858 828470917 /nfs/dbraw/zinc/47/09/17/828470917.db2.gz RYFFIHXXPUQKHK-LBPRGKRZSA-N 1 3 340.465 -0.737 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001128774158 828524468 /nfs/dbraw/zinc/52/44/68/828524468.db2.gz NCQMPMOHRWUUMS-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001128774158 828524473 /nfs/dbraw/zinc/52/44/73/828524473.db2.gz NCQMPMOHRWUUMS-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001129333985 828599429 /nfs/dbraw/zinc/59/94/29/828599429.db2.gz KSSXAULHXYJPKM-VXGBXAGGSA-N 1 3 327.429 -0.747 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001129333985 828599433 /nfs/dbraw/zinc/59/94/33/828599433.db2.gz KSSXAULHXYJPKM-VXGBXAGGSA-N 1 3 327.429 -0.747 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001129333984 828599788 /nfs/dbraw/zinc/59/97/88/828599788.db2.gz KSSXAULHXYJPKM-RYUDHWBXSA-N 1 3 327.429 -0.747 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001129333984 828599790 /nfs/dbraw/zinc/59/97/90/828599790.db2.gz KSSXAULHXYJPKM-RYUDHWBXSA-N 1 3 327.429 -0.747 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001129338540 828600859 /nfs/dbraw/zinc/60/08/59/828600859.db2.gz BLHZYIMUMUHHRC-OAHLLOKOSA-N 1 3 340.468 -0.471 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001129338540 828600863 /nfs/dbraw/zinc/60/08/63/828600863.db2.gz BLHZYIMUMUHHRC-OAHLLOKOSA-N 1 3 340.468 -0.471 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363487 828604555 /nfs/dbraw/zinc/60/45/55/828604555.db2.gz HTANBDPFTHGVGN-LBPRGKRZSA-N 1 3 341.456 -0.201 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)NC1CC1 ZINC001129363820 828604791 /nfs/dbraw/zinc/60/47/91/828604791.db2.gz KLEYLXXYUPPUIQ-HNNXBMFYSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)NC1CC1 ZINC001129363820 828604793 /nfs/dbraw/zinc/60/47/93/828604793.db2.gz KLEYLXXYUPPUIQ-HNNXBMFYSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC(=O)NC1CC1 ZINC001129454505 828622801 /nfs/dbraw/zinc/62/28/01/828622801.db2.gz JVNKVRMUSSSWFH-ZWNOBZJWSA-N 1 3 339.440 -0.591 20 0 EBADHO CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433673 828619200 /nfs/dbraw/zinc/61/92/00/828619200.db2.gz LMYDKTVPWHIQQC-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433673 828619206 /nfs/dbraw/zinc/61/92/06/828619206.db2.gz LMYDKTVPWHIQQC-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001129442430 828619942 /nfs/dbraw/zinc/61/99/42/828619942.db2.gz ACRNTQLMWNTDOR-IUODEOHRSA-N 1 3 326.441 -0.815 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444713 828620158 /nfs/dbraw/zinc/62/01/58/828620158.db2.gz XQBLMEXPKQQDGB-GXTWGEPZSA-N 1 3 331.482 -0.143 20 0 EBADHO COCCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129846079 828680626 /nfs/dbraw/zinc/68/06/26/828680626.db2.gz WVUNLUYWRORQNJ-OAGGEKHMSA-N 1 3 348.451 -0.392 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129846490 828680808 /nfs/dbraw/zinc/68/08/08/828680808.db2.gz QRFVIQCDUBAPJD-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129846490 828680812 /nfs/dbraw/zinc/68/08/12/828680812.db2.gz QRFVIQCDUBAPJD-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)N(C)C ZINC001129949386 828699745 /nfs/dbraw/zinc/69/97/45/828699745.db2.gz BZGPIVJFUKEQLA-ZDUSSCGKSA-N 1 3 336.502 -0.440 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169567 828743638 /nfs/dbraw/zinc/74/36/38/828743638.db2.gz GBUSUNZKVTYAPH-UHFFFAOYSA-N 1 3 325.413 -0.976 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130201152 828754511 /nfs/dbraw/zinc/75/45/11/828754511.db2.gz WKRZIZDHZNEONI-ZIAGYGMSSA-N 1 3 330.473 -0.036 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001130425152 828828761 /nfs/dbraw/zinc/82/87/61/828828761.db2.gz LQXOQISUHNVVFL-ZDUSSCGKSA-N 1 3 348.513 -0.296 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617656 832993870 /nfs/dbraw/zinc/99/38/70/832993870.db2.gz KOLQYWFOYREDPV-CFVMTHIKSA-N 1 3 332.408 -0.211 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C ZINC001179976238 833030252 /nfs/dbraw/zinc/03/02/52/833030252.db2.gz KPPMHGNHCDYFCT-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C ZINC001179976238 833030259 /nfs/dbraw/zinc/03/02/59/833030259.db2.gz KPPMHGNHCDYFCT-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115297267 826500285 /nfs/dbraw/zinc/50/02/85/826500285.db2.gz BOORGLAASMVWGF-QDEZUTFSSA-N 1 3 348.447 -0.286 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@H](O)COC2CCOCC2)C1 ZINC001118148226 826859719 /nfs/dbraw/zinc/85/97/19/826859719.db2.gz SNHWPXRECANZKA-HUUCEWRRSA-N 1 3 343.468 -0.280 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)COC2CCOCC2)C1 ZINC001118148226 826859728 /nfs/dbraw/zinc/85/97/28/826859728.db2.gz SNHWPXRECANZKA-HUUCEWRRSA-N 1 3 343.468 -0.280 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001118491462 826941830 /nfs/dbraw/zinc/94/18/30/826941830.db2.gz WFCRUSIYWFNEAO-VHDGCEQUSA-N 1 3 338.452 -0.448 20 0 EBADHO CN(CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC001119354726 827100697 /nfs/dbraw/zinc/10/06/97/827100697.db2.gz LRFLBLKAZAKKLA-GXSJLCMTSA-N 1 3 336.358 -0.208 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001181652198 833170798 /nfs/dbraw/zinc/17/07/98/833170798.db2.gz KGHDGQDEBXHNLK-MNOVXSKESA-N 1 3 336.358 -0.050 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676105 833251738 /nfs/dbraw/zinc/25/17/38/833251738.db2.gz ADVGKUFCQOIKHT-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676105 833251744 /nfs/dbraw/zinc/25/17/44/833251744.db2.gz ADVGKUFCQOIKHT-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866562 827969391 /nfs/dbraw/zinc/96/93/91/827969391.db2.gz FVAFYUHQDNMBFY-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183391317 833289151 /nfs/dbraw/zinc/28/91/51/833289151.db2.gz OAIDWEBEQMNLJD-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183391317 833289152 /nfs/dbraw/zinc/28/91/52/833289152.db2.gz OAIDWEBEQMNLJD-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1)N(C)C ZINC001183581157 833295693 /nfs/dbraw/zinc/29/56/93/833295693.db2.gz FTQVMFSERUSZCK-ZIAGYGMSSA-N 1 3 348.513 -0.154 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581868 833296140 /nfs/dbraw/zinc/29/61/40/833296140.db2.gz NMXBOGDLGCRFMM-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CN(CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)c1cc[nH+]cc1 ZINC001183818320 833307420 /nfs/dbraw/zinc/30/74/20/833307420.db2.gz XONHKWFQZAQMPO-GFCCVEGCSA-N 1 3 348.407 -0.707 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001183738641 833304933 /nfs/dbraw/zinc/30/49/33/833304933.db2.gz MUCKTYCLASRKCN-GHMZBOCLSA-N 1 3 327.429 -0.509 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001183738641 833304938 /nfs/dbraw/zinc/30/49/38/833304938.db2.gz MUCKTYCLASRKCN-GHMZBOCLSA-N 1 3 327.429 -0.509 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001183738647 833305169 /nfs/dbraw/zinc/30/51/69/833305169.db2.gz MUCKTYCLASRKCN-WDEREUQCSA-N 1 3 327.429 -0.509 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001183738647 833305172 /nfs/dbraw/zinc/30/51/72/833305172.db2.gz MUCKTYCLASRKCN-WDEREUQCSA-N 1 3 327.429 -0.509 20 0 EBADHO CN(CCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1)c1cc[nH+]cc1 ZINC001183818102 833307282 /nfs/dbraw/zinc/30/72/82/833307282.db2.gz WKBMYTVTBUOHDC-HIFRSBDPSA-N 1 3 331.420 -0.013 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001127081779 828248651 /nfs/dbraw/zinc/24/86/51/828248651.db2.gz BIWRMSOBIIMYHA-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001127081779 828248653 /nfs/dbraw/zinc/24/86/53/828248653.db2.gz BIWRMSOBIIMYHA-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254575 828268912 /nfs/dbraw/zinc/26/89/12/828268912.db2.gz GBJBIQSRJGXIDH-CHWSQXEVSA-N 1 3 332.470 -0.884 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254575 828268919 /nfs/dbraw/zinc/26/89/19/828268919.db2.gz GBJBIQSRJGXIDH-CHWSQXEVSA-N 1 3 332.470 -0.884 20 0 EBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001127570944 828303707 /nfs/dbraw/zinc/30/37/07/828303707.db2.gz GTEJYAKICRZVPD-ILXRZTDVSA-N 1 3 338.452 -0.672 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCCCOC)CC[N@@H+]1C ZINC001127705796 828316109 /nfs/dbraw/zinc/31/61/09/828316109.db2.gz GLRZBILYRNTNNL-QLFBSQMISA-N 1 3 342.484 -0.036 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCCCOC)CC[N@H+]1C ZINC001127705796 828316116 /nfs/dbraw/zinc/31/61/16/828316116.db2.gz GLRZBILYRNTNNL-QLFBSQMISA-N 1 3 342.484 -0.036 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127760202 828320192 /nfs/dbraw/zinc/32/01/92/828320192.db2.gz GIMNJRPFMFPEQJ-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127760202 828320201 /nfs/dbraw/zinc/32/02/01/828320201.db2.gz GIMNJRPFMFPEQJ-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779271 828326772 /nfs/dbraw/zinc/32/67/72/828326772.db2.gz KKMWJZYIBJNJIS-HUUCEWRRSA-N 1 3 338.452 -0.576 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779271 828326780 /nfs/dbraw/zinc/32/67/80/828326780.db2.gz KKMWJZYIBJNJIS-HUUCEWRRSA-N 1 3 338.452 -0.576 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127779712 828328534 /nfs/dbraw/zinc/32/85/34/828328534.db2.gz QWZNVESTXBCSAI-CVEARBPZSA-N 1 3 346.431 -0.146 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779712 828328545 /nfs/dbraw/zinc/32/85/45/828328545.db2.gz QWZNVESTXBCSAI-CVEARBPZSA-N 1 3 346.431 -0.146 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779243 828329164 /nfs/dbraw/zinc/32/91/64/828329164.db2.gz JXTVFYBMPDKGPE-KBPBESRZSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779243 828329173 /nfs/dbraw/zinc/32/91/73/828329173.db2.gz JXTVFYBMPDKGPE-KBPBESRZSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786230 828331748 /nfs/dbraw/zinc/33/17/48/828331748.db2.gz WTEKPPRTXIEMIU-ZIAGYGMSSA-N 1 3 326.441 -0.672 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786230 828331753 /nfs/dbraw/zinc/33/17/53/828331753.db2.gz WTEKPPRTXIEMIU-ZIAGYGMSSA-N 1 3 326.441 -0.672 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130709178 828919918 /nfs/dbraw/zinc/91/99/18/828919918.db2.gz WJGDORAWSNMMTM-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130709178 828919923 /nfs/dbraw/zinc/91/99/23/828919923.db2.gz WJGDORAWSNMMTM-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO CN(CCNCCNC(=O)C12CCC[NH+]1CCC2)S(C)(=O)=O ZINC001130808448 828944315 /nfs/dbraw/zinc/94/43/15/828944315.db2.gz BRKYTZMFJVNOLL-UHFFFAOYSA-N 1 3 332.470 -0.788 20 0 EBADHO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)CS(C)(=O)=O ZINC001184877986 833342344 /nfs/dbraw/zinc/34/23/44/833342344.db2.gz XIKBGDCEUOXWEP-BFHYXJOUSA-N 1 3 331.482 -0.048 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185651130 833364845 /nfs/dbraw/zinc/36/48/45/833364845.db2.gz SXEVCJQMGYREMU-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519648 829150377 /nfs/dbraw/zinc/15/03/77/829150377.db2.gz ILEDYQHGTQDQDD-XOYHFGRZSA-N 1 3 338.452 -0.578 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519648 829150382 /nfs/dbraw/zinc/15/03/82/829150382.db2.gz ILEDYQHGTQDQDD-XOYHFGRZSA-N 1 3 338.452 -0.578 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519660 829150716 /nfs/dbraw/zinc/15/07/16/829150716.db2.gz ISBSOEQHFGWDEG-XOYHFGRZSA-N 1 3 338.452 -0.576 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519660 829150726 /nfs/dbraw/zinc/15/07/26/829150726.db2.gz ISBSOEQHFGWDEG-XOYHFGRZSA-N 1 3 338.452 -0.576 20 0 EBADHO Cn1cc(CC[NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)cn1 ZINC001131519607 829151005 /nfs/dbraw/zinc/15/10/05/829151005.db2.gz HLEKKAXPJFYSRE-ISXOHVOVSA-N 1 3 333.436 -0.468 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519408 829151120 /nfs/dbraw/zinc/15/11/20/829151120.db2.gz DBQDWMLGUFOMSE-UUCFBXCCSA-N 1 3 338.452 -0.528 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519408 829151121 /nfs/dbraw/zinc/15/11/21/829151121.db2.gz DBQDWMLGUFOMSE-UUCFBXCCSA-N 1 3 338.452 -0.528 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001185724245 833368435 /nfs/dbraw/zinc/36/84/35/833368435.db2.gz WERWTWKTDBPGBR-CHWSQXEVSA-N 1 3 338.452 -0.040 20 0 EBADHO CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O ZINC001131522234 829154892 /nfs/dbraw/zinc/15/48/92/829154892.db2.gz YKCPUNQKFWXOHL-DLOXAQCQSA-N 1 3 338.452 -0.401 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CCN(CCOCCO)C2)O1 ZINC001131682358 829184905 /nfs/dbraw/zinc/18/49/05/829184905.db2.gz NOCTWYLVYKFBGT-NVXWUHKLSA-N 1 3 343.468 -0.361 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001131799088 829224275 /nfs/dbraw/zinc/22/42/75/829224275.db2.gz HHZAHSLNNKMIGG-UHFFFAOYSA-N 1 3 335.408 -0.695 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001186459392 833402462 /nfs/dbraw/zinc/40/24/62/833402462.db2.gz VGHNPXAZKKBTQY-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)N(C)C ZINC001186502748 833403935 /nfs/dbraw/zinc/40/39/35/833403935.db2.gz BUSSJKTUPYKPGV-KGLIPLIRSA-N 1 3 340.468 -0.343 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186560651 833406077 /nfs/dbraw/zinc/40/60/77/833406077.db2.gz CESNLBDICNFOEZ-CQSZACIVSA-N 1 3 340.468 -0.343 20 0 EBADHO C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)CN1CCOCCO ZINC001132425507 829454412 /nfs/dbraw/zinc/45/44/12/829454412.db2.gz ILPRODFLFFQAMU-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCCNS(=O)(=O)CC)C1 ZINC001132738474 829512192 /nfs/dbraw/zinc/51/21/92/829512192.db2.gz FERWCFUMPSMODP-CQSZACIVSA-N 1 3 348.513 -0.247 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCCNS(=O)(=O)CC)C1 ZINC001132738474 829512201 /nfs/dbraw/zinc/51/22/01/829512201.db2.gz FERWCFUMPSMODP-CQSZACIVSA-N 1 3 348.513 -0.247 20 0 EBADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001132995535 829568765 /nfs/dbraw/zinc/56/87/65/829568765.db2.gz XABLSFIZVGLALY-KBPBESRZSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051705 829578493 /nfs/dbraw/zinc/57/84/93/829578493.db2.gz LTOABZATJPVQSZ-UHFFFAOYSA-N 1 3 330.473 -0.035 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285972 829614626 /nfs/dbraw/zinc/61/46/26/829614626.db2.gz QNMZXEGOYJQOPB-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001186825077 833431773 /nfs/dbraw/zinc/43/17/73/833431773.db2.gz YCQCSSYZNIHFMM-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001186825077 833431781 /nfs/dbraw/zinc/43/17/81/833431781.db2.gz YCQCSSYZNIHFMM-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434415 829631103 /nfs/dbraw/zinc/63/11/03/829631103.db2.gz PUYDTNNTNICZJB-UONOGXRCSA-N 1 3 330.473 -0.180 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684587 829661065 /nfs/dbraw/zinc/66/10/65/829661065.db2.gz KEJGUFLDNAVZJL-GFCCVEGCSA-N 1 3 329.445 -0.342 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823856 829680293 /nfs/dbraw/zinc/68/02/93/829680293.db2.gz QZSMKNQCMSYEGR-CYBMUJFWSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823856 829680296 /nfs/dbraw/zinc/68/02/96/829680296.db2.gz QZSMKNQCMSYEGR-CYBMUJFWSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133831905 829680643 /nfs/dbraw/zinc/68/06/43/829680643.db2.gz WMJJEXNIFHVXAL-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133831905 829680659 /nfs/dbraw/zinc/68/06/59/829680659.db2.gz WMJJEXNIFHVXAL-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001133845664 829684398 /nfs/dbraw/zinc/68/43/98/829684398.db2.gz LFUNTQQKFMVMTI-CYBMUJFWSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001133850364 829686710 /nfs/dbraw/zinc/68/67/10/829686710.db2.gz LMAWWNOWQLSJNY-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866910 829689264 /nfs/dbraw/zinc/68/92/64/829689264.db2.gz PUDGSBFKZZWSOI-HIFRSBDPSA-N 1 3 333.436 -0.399 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866910 829689268 /nfs/dbraw/zinc/68/92/68/829689268.db2.gz PUDGSBFKZZWSOI-HIFRSBDPSA-N 1 3 333.436 -0.399 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869126 829690638 /nfs/dbraw/zinc/69/06/38/829690638.db2.gz BIDPNCPPBUNWAF-NWDGAFQWSA-N 1 3 327.429 -0.874 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869126 829690641 /nfs/dbraw/zinc/69/06/41/829690641.db2.gz BIDPNCPPBUNWAF-NWDGAFQWSA-N 1 3 327.429 -0.874 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906452 829697510 /nfs/dbraw/zinc/69/75/10/829697510.db2.gz WLMOABSOJHUPPN-UHFFFAOYSA-N 1 3 330.473 -0.177 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)N(C)C ZINC001133968117 829708135 /nfs/dbraw/zinc/70/81/35/829708135.db2.gz OGSFFZKWOOIAOU-STQMWFEESA-N 1 3 343.472 -0.097 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021115 829713596 /nfs/dbraw/zinc/71/35/96/829713596.db2.gz RNWGXRDRGNUMGQ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1=O ZINC001134021229 829714059 /nfs/dbraw/zinc/71/40/59/829714059.db2.gz VNTZHQOBQIATIC-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H](COCC(=O)NCCNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001134058343 829719918 /nfs/dbraw/zinc/71/99/18/829719918.db2.gz JWBKMEBTEHNMFS-ZDUSSCGKSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134583678 829797173 /nfs/dbraw/zinc/79/71/73/829797173.db2.gz NDMQXTXJRHTOCC-QWRGUYRKSA-N 1 3 327.429 -0.462 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)C(C)C ZINC001135478023 829974105 /nfs/dbraw/zinc/97/41/05/829974105.db2.gz TWVFIFLVRSVUEK-OCCSQVGLSA-N 1 3 326.441 -0.136 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001135513356 829979514 /nfs/dbraw/zinc/97/95/14/829979514.db2.gz MSKWMJSMESKTBI-LBPRGKRZSA-N 1 3 329.445 -0.343 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001135513703 829979970 /nfs/dbraw/zinc/97/99/70/829979970.db2.gz VHQHJRIBHZVPAW-UHFFFAOYSA-N 1 3 337.486 -0.515 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959028 830052111 /nfs/dbraw/zinc/05/21/11/830052111.db2.gz JKIGIAVOWYIEIO-UHFFFAOYSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C(=O)CNCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135963394 830053686 /nfs/dbraw/zinc/05/36/86/830053686.db2.gz JHTORSYEWBTNLZ-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001211279317 837421092 /nfs/dbraw/zinc/42/10/92/837421092.db2.gz WTFJXNOULSXTKP-CQSZACIVSA-N 1 3 348.513 -0.201 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601109 830212772 /nfs/dbraw/zinc/21/27/72/830212772.db2.gz JYDKFDIZCKYYHK-STQMWFEESA-N 1 3 341.456 -0.249 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001146711514 830223109 /nfs/dbraw/zinc/22/31/09/830223109.db2.gz ULFSMAMALMZXDL-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001146711514 830223114 /nfs/dbraw/zinc/22/31/14/830223114.db2.gz ULFSMAMALMZXDL-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1 ZINC001147842124 830419025 /nfs/dbraw/zinc/41/90/25/830419025.db2.gz OBUKTDDYKVCAEO-AWEZNQCLSA-N 1 3 328.457 -0.471 20 0 EBADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NCc1ccco1 ZINC001147893809 830427186 /nfs/dbraw/zinc/42/71/86/830427186.db2.gz UHTLUJGPNQCKMW-ZDUSSCGKSA-N 1 3 340.424 -0.432 20 0 EBADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900626 830428477 /nfs/dbraw/zinc/42/84/77/830428477.db2.gz SWJOHNRIZWXKKR-NEPJUHHUSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900626 830428479 /nfs/dbraw/zinc/42/84/79/830428479.db2.gz SWJOHNRIZWXKKR-NEPJUHHUSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(=O)NC1CC1 ZINC001148000690 830437013 /nfs/dbraw/zinc/43/70/13/830437013.db2.gz UXDMDFVBONYEFX-LLVKDONJSA-N 1 3 337.424 -0.835 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292752 830467115 /nfs/dbraw/zinc/46/71/15/830467115.db2.gz SDFAVDLFZYYOST-CABCVRRESA-N 1 3 325.453 -0.130 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292752 830467117 /nfs/dbraw/zinc/46/71/17/830467117.db2.gz SDFAVDLFZYYOST-CABCVRRESA-N 1 3 325.453 -0.130 20 0 EBADHO C[C@@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001148365079 830475396 /nfs/dbraw/zinc/47/53/96/830475396.db2.gz GEQILWGZDUXULD-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848042 830762230 /nfs/dbraw/zinc/76/22/30/830762230.db2.gz IHVVHPCJFCQIHN-GJZGRUSLSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848042 830762237 /nfs/dbraw/zinc/76/22/37/830762237.db2.gz IHVVHPCJFCQIHN-GJZGRUSLSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855233 830765517 /nfs/dbraw/zinc/76/55/17/830765517.db2.gz WSIKYHSUOAERFS-HZPDHXFCSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855233 830765524 /nfs/dbraw/zinc/76/55/24/830765524.db2.gz WSIKYHSUOAERFS-HZPDHXFCSA-N 1 3 343.468 -0.315 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064394 831017731 /nfs/dbraw/zinc/01/77/31/831017731.db2.gz BFJWGJJMPWMGOM-MNOVXSKESA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064394 831017741 /nfs/dbraw/zinc/01/77/41/831017741.db2.gz BFJWGJJMPWMGOM-MNOVXSKESA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064395 831018882 /nfs/dbraw/zinc/01/88/82/831018882.db2.gz BFJWGJJMPWMGOM-QWRGUYRKSA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064395 831018887 /nfs/dbraw/zinc/01/88/87/831018887.db2.gz BFJWGJJMPWMGOM-QWRGUYRKSA-N 1 3 336.358 -0.193 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152146382 831134122 /nfs/dbraw/zinc/13/41/22/831134122.db2.gz JCJOVCRRZCYMSC-STQMWFEESA-N 1 3 334.486 -0.496 20 0 EBADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152384821 831157685 /nfs/dbraw/zinc/15/76/85/831157685.db2.gz YXIRTQAARBFSTC-UHFFFAOYSA-N 1 3 342.465 -0.383 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152457396 831164323 /nfs/dbraw/zinc/16/43/23/831164323.db2.gz CZLKANUYHYYQCN-ZDUSSCGKSA-N 1 3 339.440 -0.492 20 0 EBADHO CN(CCNCCNC(=O)CCCC[NH+]1CCCC1)S(C)(=O)=O ZINC001153314631 831222686 /nfs/dbraw/zinc/22/26/86/831222686.db2.gz PQYBWDZAQLPFHH-UHFFFAOYSA-N 1 3 348.513 -0.150 20 0 EBADHO CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890532 831512701 /nfs/dbraw/zinc/51/27/01/831512701.db2.gz OEGMIGUGUAINRE-KGLIPLIRSA-N 1 3 325.457 -0.210 20 0 EBADHO CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890532 831512706 /nfs/dbraw/zinc/51/27/06/831512706.db2.gz OEGMIGUGUAINRE-KGLIPLIRSA-N 1 3 325.457 -0.210 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496770 831571756 /nfs/dbraw/zinc/57/17/56/831571756.db2.gz GUXJUWVNDLDKOS-LSDHHAIUSA-N 1 3 340.468 -0.105 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521698 831576018 /nfs/dbraw/zinc/57/60/18/831576018.db2.gz JHHAIQOVQOQPFK-ZETCQYMHSA-N 1 3 338.359 -0.342 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856261 831598179 /nfs/dbraw/zinc/59/81/79/831598179.db2.gz UBCXDPWUTPVKNU-ZOBORPQBSA-N 1 3 344.431 -0.635 20 0 EBADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118762 831629726 /nfs/dbraw/zinc/62/97/26/831629726.db2.gz DFGYYWHBRFZLBF-XWIAVFTESA-N 1 3 348.447 -0.917 20 0 EBADHO O=C(c1cncc2c1CCNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121179 831630758 /nfs/dbraw/zinc/63/07/58/831630758.db2.gz XCSJUNBVVHIYHT-GOSISDBHSA-N 1 3 341.415 -0.721 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158508862 831662000 /nfs/dbraw/zinc/66/20/00/831662000.db2.gz XFCXIHZMTQSIOK-LSDHHAIUSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158508862 831662003 /nfs/dbraw/zinc/66/20/03/831662003.db2.gz XFCXIHZMTQSIOK-LSDHHAIUSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158508859 831662182 /nfs/dbraw/zinc/66/21/82/831662182.db2.gz XFCXIHZMTQSIOK-CABCVRRESA-N 1 3 349.435 -0.056 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158508859 831662186 /nfs/dbraw/zinc/66/21/86/831662186.db2.gz XFCXIHZMTQSIOK-CABCVRRESA-N 1 3 349.435 -0.056 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158544366 831664148 /nfs/dbraw/zinc/66/41/48/831664148.db2.gz DTHNZRIWQKUIQK-JARXUMMXSA-N 1 3 338.452 -0.545 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1=O ZINC001158577300 831667030 /nfs/dbraw/zinc/66/70/30/831667030.db2.gz HDBYUIWPVCSGCT-XQQFMLRXSA-N 1 3 326.416 -0.138 20 0 EBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001158790369 831686595 /nfs/dbraw/zinc/68/65/95/831686595.db2.gz LLEMJNYIVHYKQQ-JSGCOSHPSA-N 1 3 336.440 -0.303 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934971 831698083 /nfs/dbraw/zinc/69/80/83/831698083.db2.gz LZSPXOYTBNBOIF-RRFJBIMHSA-N 1 3 331.420 -0.150 20 0 EBADHO C[C@@H](N)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159124631 831710306 /nfs/dbraw/zinc/71/03/06/831710306.db2.gz OXRNTZBRCLJKEV-OCCSQVGLSA-N 1 3 336.440 -0.300 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159209837 831721658 /nfs/dbraw/zinc/72/16/58/831721658.db2.gz NHPIOGBGXIWGRF-ZJIFWQFVSA-N 1 3 334.420 -0.110 20 0 EBADHO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664141 831769828 /nfs/dbraw/zinc/76/98/28/831769828.db2.gz CMVUQVGKAMOOLI-TWMKSMIVSA-N 1 3 346.431 -0.536 20 0 EBADHO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H](N)CCC[NH3+])C3)CC2=O)cn1 ZINC001159750406 831778428 /nfs/dbraw/zinc/77/84/28/831778428.db2.gz KEEOKLCJGFUWBE-XJKSGUPXSA-N 1 3 334.424 -0.558 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)C1CC1 ZINC001159915751 831796671 /nfs/dbraw/zinc/79/66/71/831796671.db2.gz NBJHXEGNAXMDNQ-GFCCVEGCSA-N 1 3 340.453 -0.087 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932427 831799360 /nfs/dbraw/zinc/79/93/60/831799360.db2.gz QXQSEZQBTRBHMC-CABCVRRESA-N 1 3 331.457 -0.554 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1CCC1 ZINC001159997610 831804375 /nfs/dbraw/zinc/80/43/75/831804375.db2.gz UFSUMDMYEVJJDZ-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CCC2 ZINC001160323880 831838028 /nfs/dbraw/zinc/83/80/28/831838028.db2.gz OGLYKAPKACIAGV-CYBMUJFWSA-N 1 3 346.435 -0.940 20 0 EBADHO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160439564 831850831 /nfs/dbraw/zinc/85/08/31/831850831.db2.gz MGNDHIZVSNPSIJ-QWHCGFSZSA-N 1 3 342.440 -0.674 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573885 831864967 /nfs/dbraw/zinc/86/49/67/831864967.db2.gz WZSYMVPZCCRNLK-ZDUSSCGKSA-N 1 3 334.445 -0.119 20 0 EBADHO N[C@@H](C(=O)N1CCC(OCC(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC001160742515 831882074 /nfs/dbraw/zinc/88/20/74/831882074.db2.gz OMPDFARLXCPUNQ-MRXNPFEDSA-N 1 3 338.452 -0.401 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766033 831885224 /nfs/dbraw/zinc/88/52/24/831885224.db2.gz HQWNCUMQTXLIIO-QLFBSQMISA-N 1 3 344.415 -0.304 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CCC4(CNC4)O3)C[C@H]1C2 ZINC001160791779 831887805 /nfs/dbraw/zinc/88/78/05/831887805.db2.gz BUYHBDLWCJTWLC-MTVAPTMQSA-N 1 3 349.431 -0.636 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791149 831887949 /nfs/dbraw/zinc/88/79/49/831887949.db2.gz XOZAQDVRWSULQL-KGLIPLIRSA-N 1 3 326.441 -0.448 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)C3(O)CCN(C)CC3)C[C@H]1C[NH2+]CC2 ZINC001160811854 831890084 /nfs/dbraw/zinc/89/00/84/831890084.db2.gz VTCYXDDIEOHOKK-CZUORRHYSA-N 1 3 339.436 -0.556 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001160882985 831903207 /nfs/dbraw/zinc/90/32/07/831903207.db2.gz DBUDDAFJODVCGU-CQSZACIVSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C ZINC001160890176 831903760 /nfs/dbraw/zinc/90/37/60/831903760.db2.gz XSXIWGUTXASMPQ-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001161227077 831938349 /nfs/dbraw/zinc/93/83/49/831938349.db2.gz UDGPKSCIJZGNGO-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO O=C([C@H]1COC2(CNC2)CN1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161270732 831944015 /nfs/dbraw/zinc/94/40/15/831944015.db2.gz RARZSRSURMFXEP-JKSUJKDBSA-N 1 3 345.447 -0.507 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)ccn1 ZINC001161306796 831946129 /nfs/dbraw/zinc/94/61/29/831946129.db2.gz ZKFAGUVZQMXAAB-RDTXWAMCSA-N 1 3 345.447 -0.062 20 0 EBADHO O=C([C@@H]1COC2(CNC2)CN1)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388273 831952277 /nfs/dbraw/zinc/95/22/77/831952277.db2.gz XFUYRTZWTMANJV-AWEZNQCLSA-N 1 3 349.410 -0.364 20 0 EBADHO COc1cc(O[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)ccn1 ZINC001161395004 831953155 /nfs/dbraw/zinc/95/31/55/831953155.db2.gz QTTOSSYAGLJIAP-ZIAGYGMSSA-N 1 3 332.404 -0.121 20 0 EBADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001161572311 831973816 /nfs/dbraw/zinc/97/38/16/831973816.db2.gz JQIZVOCGLNZQRW-RDTXWAMCSA-N 1 3 344.415 -0.048 20 0 EBADHO O=C(NCCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872381 832068683 /nfs/dbraw/zinc/06/86/83/832068683.db2.gz QDLRRDNFEZNTKB-DLOXAQCQSA-N 1 3 336.436 -0.776 20 0 EBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001350353481 832158903 /nfs/dbraw/zinc/15/89/03/832158903.db2.gz HSYMGFJFYYYRCG-UHFFFAOYSA-N 1 3 338.412 -0.943 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626371 832275177 /nfs/dbraw/zinc/27/51/77/832275177.db2.gz FAGZPBFOBPHUBV-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166633325 832275235 /nfs/dbraw/zinc/27/52/35/832275235.db2.gz DHYPJDYYQPMJFZ-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166627631 832275309 /nfs/dbraw/zinc/27/53/09/832275309.db2.gz XWVHOPBHFAISBD-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668105 832277637 /nfs/dbraw/zinc/27/76/37/832277637.db2.gz RAWARDXSWLOJIW-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668194 832277767 /nfs/dbraw/zinc/27/77/67/832277767.db2.gz UVFSEWGBXVURQG-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001166678579 832280394 /nfs/dbraw/zinc/28/03/94/832280394.db2.gz WNBQHAYVEGXKFT-ZIAGYGMSSA-N 1 3 331.482 -0.141 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)N(C)C ZINC001166851457 832293694 /nfs/dbraw/zinc/29/36/94/832293694.db2.gz AVRBFXPPESBMGK-STQMWFEESA-N 1 3 343.472 -0.985 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C)N(C)C ZINC001166866039 832295002 /nfs/dbraw/zinc/29/50/02/832295002.db2.gz LXRHPKPDLZZSMM-ZDUSSCGKSA-N 1 3 343.472 -0.096 20 0 EBADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001167835996 832377977 /nfs/dbraw/zinc/37/79/77/832377977.db2.gz NDTPWHRKQXUWHY-LBPRGKRZSA-N 1 3 341.456 -0.212 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583909 832434068 /nfs/dbraw/zinc/43/40/68/832434068.db2.gz VDDBNXAMUZDGMQ-GJZGRUSLSA-N 1 3 339.484 -0.674 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001168763574 832434639 /nfs/dbraw/zinc/43/46/39/832434639.db2.gz POPKIBDLLKXSCG-JKSUJKDBSA-N 1 3 345.484 -0.019 20 0 EBADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)C2 ZINC001169100044 832447988 /nfs/dbraw/zinc/44/79/88/832447988.db2.gz FEHOQMMPUOITOL-QKDCVEJESA-N 1 3 330.498 -0.222 20 0 EBADHO C[NH+](C)CCOCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001354861283 832527691 /nfs/dbraw/zinc/52/76/91/832527691.db2.gz NROBWCJTCBTTDR-HNNXBMFYSA-N 1 3 340.468 -0.375 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001171216834 832551653 /nfs/dbraw/zinc/55/16/53/832551653.db2.gz IYWSVHRXJXLCHO-CYBMUJFWSA-N 1 3 334.424 -0.147 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001171216834 832551661 /nfs/dbraw/zinc/55/16/61/832551661.db2.gz IYWSVHRXJXLCHO-CYBMUJFWSA-N 1 3 334.424 -0.147 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001171873668 832577557 /nfs/dbraw/zinc/57/75/57/832577557.db2.gz TULJWTVQJKBILL-XCCIUEIHSA-N 1 3 338.452 -0.401 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001175264269 832620160 /nfs/dbraw/zinc/62/01/60/832620160.db2.gz RNUWYVLAPOFSAE-STQMWFEESA-N 1 3 341.456 -0.212 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCC[C@H]1C ZINC001175257121 832620239 /nfs/dbraw/zinc/62/02/39/832620239.db2.gz VANSHZWSAXEZIX-CHWSQXEVSA-N 1 3 341.456 -0.070 20 0 EBADHO Cc1nnc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)s1 ZINC001176049188 832654150 /nfs/dbraw/zinc/65/41/50/832654150.db2.gz KLEWQUSAVKWHBZ-LLVKDONJSA-N 1 3 340.453 -0.167 20 0 EBADHO Cc1nnc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)s1 ZINC001176049188 832654155 /nfs/dbraw/zinc/65/41/55/832654155.db2.gz KLEWQUSAVKWHBZ-LLVKDONJSA-N 1 3 340.453 -0.167 20 0 EBADHO Cn1ccc(N2CC[C@H](NCCCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057528 832654246 /nfs/dbraw/zinc/65/42/46/832654246.db2.gz PRHZPITZGSBINY-KBPBESRZSA-N 1 3 348.451 -0.427 20 0 EBADHO Cn1ccc(N2CC[C@H](NCCCNC(=O)[C@H]3CC[N@@H+](C)C3)C2=O)n1 ZINC001176057528 832654248 /nfs/dbraw/zinc/65/42/48/832654248.db2.gz PRHZPITZGSBINY-KBPBESRZSA-N 1 3 348.451 -0.427 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001176972106 832722243 /nfs/dbraw/zinc/72/22/43/832722243.db2.gz OYKSMPNZVPETHU-AWEZNQCLSA-N 1 3 328.457 -0.594 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001176971806 832722466 /nfs/dbraw/zinc/72/24/66/832722466.db2.gz IORQPYJLVNPQCS-CQSZACIVSA-N 1 3 328.457 -0.282 20 0 EBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971706 832722529 /nfs/dbraw/zinc/72/25/29/832722529.db2.gz FXOWFOLTGOMSQX-GJZGRUSLSA-N 1 3 333.473 -0.165 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001176975772 832723206 /nfs/dbraw/zinc/72/32/06/832723206.db2.gz YAZVWYZPTBBKHS-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986493 832726212 /nfs/dbraw/zinc/72/62/12/832726212.db2.gz PTJVSJAVWJNMLI-AWEZNQCLSA-N 1 3 330.473 -0.036 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176992768 832727635 /nfs/dbraw/zinc/72/76/35/832727635.db2.gz ZRDOPJLBAUQSKZ-RYUDHWBXSA-N 1 3 327.429 -0.460 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356680 832852853 /nfs/dbraw/zinc/85/28/53/832852853.db2.gz PODJMIPBVQNJJZ-KKUMJFAQSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303431 832968829 /nfs/dbraw/zinc/96/88/29/832968829.db2.gz BYICVCUVZANYGE-MROQNXINSA-N 1 3 339.440 -0.496 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472776 832981902 /nfs/dbraw/zinc/98/19/02/832981902.db2.gz XRAAYTQMMAIINP-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001179546513 832987025 /nfs/dbraw/zinc/98/70/25/832987025.db2.gz SVXDRXKFJNITOD-RYUDHWBXSA-N 1 3 339.440 -0.508 20 0 EBADHO CC(C)CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106251 833901815 /nfs/dbraw/zinc/90/18/15/833901815.db2.gz CUKXDKGGKAEMBK-HUUCEWRRSA-N 1 3 342.484 -0.084 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 ZINC001187298375 833917278 /nfs/dbraw/zinc/91/72/78/833917278.db2.gz FPIXTOWDQBLCLD-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 ZINC001187298375 833917282 /nfs/dbraw/zinc/91/72/82/833917282.db2.gz FPIXTOWDQBLCLD-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001187321931 833920118 /nfs/dbraw/zinc/92/01/18/833920118.db2.gz IQFQNGPABHTCPB-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187824946 833971488 /nfs/dbraw/zinc/97/14/88/833971488.db2.gz DAFKFGMYRMMNNV-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187824946 833971496 /nfs/dbraw/zinc/97/14/96/833971496.db2.gz DAFKFGMYRMMNNV-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106680 834004485 /nfs/dbraw/zinc/00/44/85/834004485.db2.gz QGSOOTSSIAQLIC-GFCCVEGCSA-N 1 3 325.413 -0.752 20 0 EBADHO COC[C@H](O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964212 834110522 /nfs/dbraw/zinc/11/05/22/834110522.db2.gz ZWAVGYIRIOIWCL-RRFJBIMHSA-N 1 3 325.453 -0.132 20 0 EBADHO CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389754 834149671 /nfs/dbraw/zinc/14/96/71/834149671.db2.gz LDTRFHLYHXTVIO-JKSUJKDBSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(=O)NCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389754 834149674 /nfs/dbraw/zinc/14/96/74/834149674.db2.gz LDTRFHLYHXTVIO-JKSUJKDBSA-N 1 3 340.468 -0.234 20 0 EBADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCC1 ZINC001197826394 835613709 /nfs/dbraw/zinc/61/37/09/835613709.db2.gz VDGXAQBNAKMWGY-OAGGEKHMSA-N 1 3 343.468 -0.459 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001197826349 835613810 /nfs/dbraw/zinc/61/38/10/835613810.db2.gz SYQBMBOVFXLXAG-HZPDHXFCSA-N 1 3 343.468 -0.457 20 0 EBADHO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788426 835861772 /nfs/dbraw/zinc/86/17/72/835861772.db2.gz PWLGOYHANDVODS-MRXNPFEDSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001199827010 835866816 /nfs/dbraw/zinc/86/68/16/835866816.db2.gz QTIPLMWWSILBJP-JQWIXIFHSA-N 1 3 325.413 -0.755 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480240 835973402 /nfs/dbraw/zinc/97/34/02/835973402.db2.gz YLVCLUDBLYEIOY-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480240 835973410 /nfs/dbraw/zinc/97/34/10/835973410.db2.gz YLVCLUDBLYEIOY-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688067 836014456 /nfs/dbraw/zinc/01/44/56/836014456.db2.gz KCTOECWZXRDLLV-ZBFHGGJFSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720941 836023120 /nfs/dbraw/zinc/02/31/20/836023120.db2.gz FCNWNQCRVHBJSZ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200720941 836023133 /nfs/dbraw/zinc/02/31/33/836023133.db2.gz FCNWNQCRVHBJSZ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200865469 836052143 /nfs/dbraw/zinc/05/21/43/836052143.db2.gz JCLNMFOBNMFCTQ-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200865469 836052156 /nfs/dbraw/zinc/05/21/56/836052156.db2.gz JCLNMFOBNMFCTQ-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1)C(N)=O ZINC001201128220 836098545 /nfs/dbraw/zinc/09/85/45/836098545.db2.gz GCAGMJAJYDLXIM-UONOGXRCSA-N 1 3 340.468 -0.058 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1 ZINC001201128271 836099076 /nfs/dbraw/zinc/09/90/76/836099076.db2.gz GQMFFBWGPGZZNM-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+]CCNS(=O)(=O)CC)CC1)N(C)C ZINC001201239844 836115613 /nfs/dbraw/zinc/11/56/13/836115613.db2.gz NZRLMFPDIXNBHW-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CNCC(=O)NC2CC2)C1 ZINC001201276644 836121916 /nfs/dbraw/zinc/12/19/16/836121916.db2.gz ISGHLPKHFIOMQO-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276715 836122058 /nfs/dbraw/zinc/12/20/58/836122058.db2.gz KHXSMVHWNSJIMN-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC2CC2)C1 ZINC001201336587 836130647 /nfs/dbraw/zinc/13/06/47/836130647.db2.gz VVSIXQQPOSGNJU-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)N(C)C ZINC001201334609 836131196 /nfs/dbraw/zinc/13/11/96/836131196.db2.gz KMKIIJJGRHTOLQ-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343421 836132352 /nfs/dbraw/zinc/13/23/52/836132352.db2.gz GGEUTDXNGGTSQQ-DZGCQCFKSA-N 1 3 328.457 -0.474 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001201404828 836141086 /nfs/dbraw/zinc/14/10/86/836141086.db2.gz XMNDCDVKOCGEIS-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201403645 836141213 /nfs/dbraw/zinc/14/12/13/836141213.db2.gz NXUBNSGRLCEFHU-JKSUJKDBSA-N 1 3 343.468 -0.313 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001201774532 836191097 /nfs/dbraw/zinc/19/10/97/836191097.db2.gz LSZVZMSTRZNIBU-HNNXBMFYSA-N 1 3 340.468 -0.201 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCCS(C)(=O)=O)C1 ZINC001201800149 836193483 /nfs/dbraw/zinc/19/34/83/836193483.db2.gz DWKUJMDUOWQMIC-CQSZACIVSA-N 1 3 349.497 -0.420 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCCS(C)(=O)=O)C1 ZINC001201800149 836193485 /nfs/dbraw/zinc/19/34/85/836193485.db2.gz DWKUJMDUOWQMIC-CQSZACIVSA-N 1 3 349.497 -0.420 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001201808356 836194426 /nfs/dbraw/zinc/19/44/26/836194426.db2.gz CBCCRJYJHUISDS-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001201808356 836194429 /nfs/dbraw/zinc/19/44/29/836194429.db2.gz CBCCRJYJHUISDS-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871295 836208423 /nfs/dbraw/zinc/20/84/23/836208423.db2.gz IKTSWIPWAWSUNA-CQSZACIVSA-N 1 3 338.452 -0.575 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201932503 836217873 /nfs/dbraw/zinc/21/78/73/836217873.db2.gz ZRUUQDFPGAPZKF-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201931197 836218955 /nfs/dbraw/zinc/21/89/55/836218955.db2.gz JANWWQZQMDWPGX-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1)C(N)=O ZINC001202165494 836266218 /nfs/dbraw/zinc/26/62/18/836266218.db2.gz RKVGNPGFIUGOGC-ZIAGYGMSSA-N 1 3 328.457 -0.202 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001202163620 836266630 /nfs/dbraw/zinc/26/66/30/836266630.db2.gz HQOPYOJPIROXKO-LSDHHAIUSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1)C(N)=O ZINC001202165491 836267026 /nfs/dbraw/zinc/26/70/26/836267026.db2.gz RKVGNPGFIUGOGC-KGLIPLIRSA-N 1 3 328.457 -0.202 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001202496763 836307826 /nfs/dbraw/zinc/30/78/26/836307826.db2.gz XQFRNRBELCFRFV-ZDUSSCGKSA-N 1 3 331.482 -0.047 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1)N(C)C ZINC001202531870 836311585 /nfs/dbraw/zinc/31/15/85/836311585.db2.gz PHXBNVOACPSQCN-LBPRGKRZSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC)CC1)N(C)C ZINC001202531341 836311787 /nfs/dbraw/zinc/31/17/87/836311787.db2.gz FTPPTKBXTXSTHM-AAEUAGOBSA-N 1 3 341.456 -0.249 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NC[C@H]1CCCO1 ZINC001202669111 836333265 /nfs/dbraw/zinc/33/32/65/836333265.db2.gz XYCCXKMBOHWHCL-OAHLLOKOSA-N 1 3 349.435 -0.172 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202668490 836333967 /nfs/dbraw/zinc/33/39/67/836333967.db2.gz RUEBHSVZWDHCIG-UHFFFAOYSA-N 1 3 343.453 -0.528 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203924875 836488869 /nfs/dbraw/zinc/48/88/69/836488869.db2.gz GROPTYXBCOGVHO-UHFFFAOYSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203933238 836488885 /nfs/dbraw/zinc/48/88/85/836488885.db2.gz WIDUMBVZCOUBNE-NSHDSACASA-N 1 3 327.429 -0.509 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001204798932 836529845 /nfs/dbraw/zinc/52/98/45/836529845.db2.gz OWFMGBIBGBXQLZ-CQSZACIVSA-N 1 3 346.497 -0.542 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207683642 836843518 /nfs/dbraw/zinc/84/35/18/836843518.db2.gz FVFXVIDJCKBAFC-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688734 836846021 /nfs/dbraw/zinc/84/60/21/836846021.db2.gz RYQYGSPCZAEFIQ-NEPJUHHUSA-N 1 3 325.413 -0.883 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208070481 836941370 /nfs/dbraw/zinc/94/13/70/836941370.db2.gz NDHOWEVKZYZASU-IJLUTSLNSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001208070481 836941375 /nfs/dbraw/zinc/94/13/75/836941375.db2.gz NDHOWEVKZYZASU-IJLUTSLNSA-N 1 3 325.413 -0.898 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334510 836999389 /nfs/dbraw/zinc/99/93/89/836999389.db2.gz JFSRDDLUPWABJL-GXTWGEPZSA-N 1 3 339.440 -0.637 20 0 EBADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447283 837041959 /nfs/dbraw/zinc/04/19/59/837041959.db2.gz BFOZOFORYIHWAV-BZUAXINKSA-N 1 3 345.484 -0.211 20 0 EBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496067 837067210 /nfs/dbraw/zinc/06/72/10/837067210.db2.gz IYNLADKLHXKXIB-CHWSQXEVSA-N 1 3 339.440 -0.684 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323806 837155776 /nfs/dbraw/zinc/15/57/76/837155776.db2.gz MLYMEGLGPXHOHP-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@@H]1CN(C(=O)CN[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001209456216 837169416 /nfs/dbraw/zinc/16/94/16/837169416.db2.gz YEXYOZLXEVDVOU-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209632920 837184173 /nfs/dbraw/zinc/18/41/73/837184173.db2.gz PBLGPNNASBFCGS-NEPJUHHUSA-N 1 3 325.413 -0.754 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1C ZINC001210040175 837228215 /nfs/dbraw/zinc/22/82/15/837228215.db2.gz CBMMJYXOLWCZMK-OWCLPIDISA-N 1 3 345.484 -0.211 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1C ZINC001210040175 837228222 /nfs/dbraw/zinc/22/82/22/837228222.db2.gz CBMMJYXOLWCZMK-OWCLPIDISA-N 1 3 345.484 -0.211 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001210493016 837289486 /nfs/dbraw/zinc/28/94/86/837289486.db2.gz HOYIWTSGBYEJIT-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001210493016 837289496 /nfs/dbraw/zinc/28/94/96/837289496.db2.gz HOYIWTSGBYEJIT-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001210674154 837315050 /nfs/dbraw/zinc/31/50/50/837315050.db2.gz OCXSGOACYITEFF-NWDGAFQWSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001210674154 837315062 /nfs/dbraw/zinc/31/50/62/837315062.db2.gz OCXSGOACYITEFF-NWDGAFQWSA-N 1 3 325.413 -0.896 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCC(=O)NCC2CC2)C1 ZINC001210676116 837318289 /nfs/dbraw/zinc/31/82/89/837318289.db2.gz CMWABCXMQUZQQJ-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742213 837327382 /nfs/dbraw/zinc/32/73/82/837327382.db2.gz BTJPZCHNWIGYIT-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001210743780 837327985 /nfs/dbraw/zinc/32/79/85/837327985.db2.gz LCJRHETZJWECDB-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730008 837853854 /nfs/dbraw/zinc/85/38/54/837853854.db2.gz BGOPFHDHLUGIMH-ARFHVFGLSA-N 1 3 343.468 -0.051 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001319124845 838076309 /nfs/dbraw/zinc/07/63/09/838076309.db2.gz VKTLWKWDWIUNCE-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001319124845 838076322 /nfs/dbraw/zinc/07/63/22/838076322.db2.gz VKTLWKWDWIUNCE-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCSC1 ZINC001321510059 839007468 /nfs/dbraw/zinc/00/74/68/839007468.db2.gz UPGDUCPGRLJDSD-CJNGLKHVSA-N 1 3 342.509 -0.050 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CCOCC1 ZINC001322137439 839143164 /nfs/dbraw/zinc/14/31/64/839143164.db2.gz PCFGKTGPEBSRFD-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO C[C@@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001322280730 839166164 /nfs/dbraw/zinc/16/61/64/839166164.db2.gz JTWKEDIHPSEYQO-ZDUSSCGKSA-N 1 3 336.436 -0.332 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC001323542352 839468219 /nfs/dbraw/zinc/46/82/19/839468219.db2.gz OKSUVNUGLBPBMG-CYBMUJFWSA-N 1 3 344.456 -0.794 20 0 EBADHO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001325449690 839867843 /nfs/dbraw/zinc/86/78/43/839867843.db2.gz MCDYTVCMXGUMJQ-OLZOCXBDSA-N 1 3 347.419 -0.072 20 0 EBADHO CN(CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001326290189 840081750 /nfs/dbraw/zinc/08/17/50/840081750.db2.gz UNSYQXVSZMESBF-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC001327669899 840489501 /nfs/dbraw/zinc/48/95/01/840489501.db2.gz AIBDQFYAHOZPNI-YOEHRIQHSA-N 1 3 340.468 -0.567 20 0 EBADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329057208 840828997 /nfs/dbraw/zinc/82/89/97/840828997.db2.gz POFDDDKUHAJUQL-NWDGAFQWSA-N 1 3 339.440 -0.495 20 0 EBADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330528191 841229128 /nfs/dbraw/zinc/22/91/28/841229128.db2.gz KEBPEBZGAMSRAA-UKRRQHHQSA-N 1 3 338.452 -0.528 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331104146 841336478 /nfs/dbraw/zinc/33/64/78/841336478.db2.gz QBSAKQGWUFQEOV-GXTWGEPZSA-N 1 3 326.441 -0.401 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001331850786 841519730 /nfs/dbraw/zinc/51/97/30/841519730.db2.gz AHDMXKYYHVUOPS-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001332303177 841610614 /nfs/dbraw/zinc/61/06/14/841610614.db2.gz DUFIJWJGOPDUDE-HNNXBMFYSA-N 1 3 339.484 -0.676 20 0 EBADHO CN(CCOCCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001333266200 841838208 /nfs/dbraw/zinc/83/82/08/841838208.db2.gz DDWJDYRYQQXRJZ-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(CCOCCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001333266200 841838225 /nfs/dbraw/zinc/83/82/25/841838225.db2.gz DDWJDYRYQQXRJZ-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)C[C@@H]21 ZINC001334826764 842137352 /nfs/dbraw/zinc/13/73/52/842137352.db2.gz IMWZDYHALVMSDT-KXNHARMFSA-N 1 3 348.369 -0.113 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)C[C@@H]21 ZINC001334826766 842137614 /nfs/dbraw/zinc/13/76/14/842137614.db2.gz IMWZDYHALVMSDT-RHYQMDGZSA-N 1 3 348.369 -0.113 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C[C@@H]21 ZINC001334826760 842137834 /nfs/dbraw/zinc/13/78/34/842137834.db2.gz IMWZDYHALVMSDT-KKOKHZNYSA-N 1 3 348.369 -0.113 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2ccnn2c1 ZINC001336692915 842537086 /nfs/dbraw/zinc/53/70/86/842537086.db2.gz MMDWVZCOXZVWET-UHFFFAOYSA-N 1 3 347.423 -0.380 20 0 EBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN(C)CCCOC ZINC001338279394 842775868 /nfs/dbraw/zinc/77/58/68/842775868.db2.gz IUCBPKBXXNGOGG-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340206395 842981564 /nfs/dbraw/zinc/98/15/64/842981564.db2.gz RWNVUTPNDOSJLG-YOEHRIQHSA-N 1 3 340.468 -0.450 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340955778 843046944 /nfs/dbraw/zinc/04/69/44/843046944.db2.gz DDZMVYDPBBEFSX-LSDHHAIUSA-N 1 3 340.468 -0.247 20 0 EBADHO COCCN1CCC(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343395917 843233519 /nfs/dbraw/zinc/23/35/19/843233519.db2.gz WGHLHQHUVMBDPW-AWEZNQCLSA-N 1 3 326.441 -0.589 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)CN1CCN(C)CC1 ZINC001343451770 843238396 /nfs/dbraw/zinc/23/83/96/843238396.db2.gz GJGWURNSNYBPFD-HUUCEWRRSA-N 1 3 339.484 -0.817 20 0 EBADHO C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001345919806 843462141 /nfs/dbraw/zinc/46/21/41/843462141.db2.gz OPVXSJWSZBLMTP-QWHCGFSZSA-N 1 3 330.498 -0.052 20 0 EBADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691098433 1125832725 /nfs/dbraw/zinc/83/27/25/1125832725.db2.gz LVGYUKVEHARGHZ-MBNYWOFBSA-N 1 3 336.436 -0.240 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001481243193 1125950860 /nfs/dbraw/zinc/95/08/60/1125950860.db2.gz IRJZQVYWEVOSFZ-ZDUSSCGKSA-N 1 3 327.429 -0.828 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001481246955 1125952030 /nfs/dbraw/zinc/95/20/30/1125952030.db2.gz DAPGGMGDGFQPLZ-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@H]1CN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001481276478 1125962552 /nfs/dbraw/zinc/96/25/52/1125962552.db2.gz BYQJZCNGGDYRAF-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCCO1)C(=O)C1CC[NH+](C)CC1 ZINC001481277445 1125962733 /nfs/dbraw/zinc/96/27/33/1125962733.db2.gz OYWKBGIHISVBFO-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H](NCCN(C)C(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001481299754 1125968957 /nfs/dbraw/zinc/96/89/57/1125968957.db2.gz XTMMMRJVNVKELN-ZDUSSCGKSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001481319455 1125973090 /nfs/dbraw/zinc/97/30/90/1125973090.db2.gz FHARVSGADONFTG-AWEZNQCLSA-N 1 3 348.513 -0.344 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001481949818 1126069082 /nfs/dbraw/zinc/06/90/82/1126069082.db2.gz AXPONKCBMDAXLD-BZNIZROVSA-N 1 3 341.456 -0.216 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001648976256 1126210339 /nfs/dbraw/zinc/21/03/39/1126210339.db2.gz KNLJMCMICWUYDQ-WBVHZDCISA-N 1 3 326.485 -0.119 20 0 EBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)N1CCCCC1 ZINC001482727863 1126268136 /nfs/dbraw/zinc/26/81/36/1126268136.db2.gz CZRRTYHVPLFQCU-UONOGXRCSA-N 1 3 340.468 -0.404 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482888379 1126300624 /nfs/dbraw/zinc/30/06/24/1126300624.db2.gz KCYCDSXCFSUWKI-AAEUAGOBSA-N 1 3 329.445 -0.487 20 0 EBADHO CN(CC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001409264204 1126320524 /nfs/dbraw/zinc/32/05/24/1126320524.db2.gz FYKXKQKLNUPXOP-UHFFFAOYSA-N 1 3 325.413 -0.850 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001483098736 1126332823 /nfs/dbraw/zinc/33/28/23/1126332823.db2.gz SSZVKOPXEROCMP-SFAKSCPVSA-N 1 3 336.436 -0.070 20 0 EBADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](C)NCc1cnnn1C ZINC001409382739 1126361183 /nfs/dbraw/zinc/36/11/83/1126361183.db2.gz IPESKHMJTLXLSS-QWHCGFSZSA-N 1 3 348.455 -0.130 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481393 1126370717 /nfs/dbraw/zinc/37/07/17/1126370717.db2.gz WYHJNAQMFRRPDO-ZIAGYGMSSA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@@H](NC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597044 1126438886 /nfs/dbraw/zinc/43/88/86/1126438886.db2.gz UJUCMRIKSGRTQZ-RISCZKNCSA-N 1 3 326.441 -0.545 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596935 1126439013 /nfs/dbraw/zinc/43/90/13/1126439013.db2.gz RNJOESMIPROWCR-IUODEOHRSA-N 1 3 340.468 -0.284 20 0 EBADHO C[C@]1(C[NH2+]CCN2C(=O)CCC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484114165 1126506840 /nfs/dbraw/zinc/50/68/40/1126506840.db2.gz RHXGVGSXDJMWBE-QGZVFWFLSA-N 1 3 347.419 -0.071 20 0 EBADHO C[C@@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001493806814 1126594136 /nfs/dbraw/zinc/59/41/36/1126594136.db2.gz PFPLKKLPOFLQAE-GFCCVEGCSA-N 1 3 327.429 -0.506 20 0 EBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001484680601 1126616131 /nfs/dbraw/zinc/61/61/31/1126616131.db2.gz OIFFOEBCYPLJQE-UONOGXRCSA-N 1 3 341.456 -0.831 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484695785 1126624640 /nfs/dbraw/zinc/62/46/40/1126624640.db2.gz IRSVTWYAOGXAAM-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001484695785 1126624641 /nfs/dbraw/zinc/62/46/41/1126624641.db2.gz IRSVTWYAOGXAAM-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001484887139 1126649269 /nfs/dbraw/zinc/64/92/69/1126649269.db2.gz FJSKYQWYJSIMIP-WDEREUQCSA-N 1 3 325.413 -0.898 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(O)(C[NH2+]CCn2cccn2)CC1 ZINC001484960305 1126659322 /nfs/dbraw/zinc/65/93/22/1126659322.db2.gz ZTVYNHGZXMWSFI-UHFFFAOYSA-N 1 3 332.408 -0.208 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001484960361 1126659339 /nfs/dbraw/zinc/65/93/39/1126659339.db2.gz BYVKZOHPWRSRID-UONOGXRCSA-N 1 3 342.484 -0.350 20 0 EBADHO CN(CCN1CCNC1=O)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068563 1126670739 /nfs/dbraw/zinc/67/07/39/1126670739.db2.gz GKRVAUNCCCYAAA-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833576 1126888728 /nfs/dbraw/zinc/88/87/28/1126888728.db2.gz JORAAYOJEGKURA-KGLIPLIRSA-N 1 3 331.482 -0.191 20 0 EBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833576 1126888732 /nfs/dbraw/zinc/88/87/32/1126888732.db2.gz JORAAYOJEGKURA-KGLIPLIRSA-N 1 3 331.482 -0.191 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001485891945 1126909450 /nfs/dbraw/zinc/90/94/50/1126909450.db2.gz LFNNWMVKXJBTAC-NWDGAFQWSA-N 1 3 327.429 -0.685 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001485909382 1126913821 /nfs/dbraw/zinc/91/38/21/1126913821.db2.gz LWXPILAFOUEXPE-QWHCGFSZSA-N 1 3 334.486 -0.544 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001486298786 1127105749 /nfs/dbraw/zinc/10/57/49/1127105749.db2.gz XFXWQTJBBJBUOO-AWEZNQCLSA-N 1 3 326.441 -0.984 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001486317385 1127119754 /nfs/dbraw/zinc/11/97/54/1127119754.db2.gz HEUKBBKSBUIVIU-ZFWWWQNUSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001486310887 1127123651 /nfs/dbraw/zinc/12/36/51/1127123651.db2.gz NKYXTPNYDKXUFM-ZIAGYGMSSA-N 1 3 344.500 -0.150 20 0 EBADHO O=C(CC[NH2+]CCO)NC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001486485566 1127185514 /nfs/dbraw/zinc/18/55/14/1127185514.db2.gz MCQSMDVICVEUQX-CQSZACIVSA-N 1 3 337.424 -0.579 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001410114551 1127577928 /nfs/dbraw/zinc/57/79/28/1127577928.db2.gz ATGLWWNFOANZBZ-CYBMUJFWSA-N 1 3 342.484 -0.206 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001410114551 1127577932 /nfs/dbraw/zinc/57/79/32/1127577932.db2.gz ATGLWWNFOANZBZ-CYBMUJFWSA-N 1 3 342.484 -0.206 20 0 EBADHO C[C@H](NCC(=O)N1CCCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155490 1127616865 /nfs/dbraw/zinc/61/68/65/1127616865.db2.gz IDSJLMVQBFPHBX-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNCC(=O)Nc2cnccn2)C1 ZINC001410218554 1127645751 /nfs/dbraw/zinc/64/57/51/1127645751.db2.gz OXLLAJNBGGEVGX-JOCQHMNTSA-N 1 3 334.424 -0.149 20 0 EBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001410514677 1127732206 /nfs/dbraw/zinc/73/22/06/1127732206.db2.gz VKKPZDWKJMTXJB-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001411055200 1127990404 /nfs/dbraw/zinc/99/04/04/1127990404.db2.gz DKMJLYHUEMKRNO-KBPBESRZSA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001411055200 1127990409 /nfs/dbraw/zinc/99/04/09/1127990409.db2.gz DKMJLYHUEMKRNO-KBPBESRZSA-N 1 3 328.457 -0.644 20 0 EBADHO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001411123847 1128024428 /nfs/dbraw/zinc/02/44/28/1128024428.db2.gz IJZSNRZKNVHSSC-OAHLLOKOSA-N 1 3 325.457 -0.022 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNC[C@@H]4CCOC4)nn3)C2)C1 ZINC001093343797 1128331095 /nfs/dbraw/zinc/33/10/95/1128331095.db2.gz QWAVMDJVRUKNRH-UONOGXRCSA-N 1 3 348.451 -0.261 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNC[C@@H]4CCOC4)nn3)C2)C1 ZINC001093343797 1128331099 /nfs/dbraw/zinc/33/10/99/1128331099.db2.gz QWAVMDJVRUKNRH-UONOGXRCSA-N 1 3 348.451 -0.261 20 0 EBADHO CN(CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001488000237 1128536358 /nfs/dbraw/zinc/53/63/58/1128536358.db2.gz ODMZLFOVYPOTMY-STQMWFEESA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001488000237 1128536361 /nfs/dbraw/zinc/53/63/61/1128536361.db2.gz ODMZLFOVYPOTMY-STQMWFEESA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001488000234 1128536481 /nfs/dbraw/zinc/53/64/81/1128536481.db2.gz ODMZLFOVYPOTMY-CHWSQXEVSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001488000234 1128536483 /nfs/dbraw/zinc/53/64/83/1128536483.db2.gz ODMZLFOVYPOTMY-CHWSQXEVSA-N 1 3 326.441 -0.984 20 0 EBADHO CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)C ZINC001488058228 1128557119 /nfs/dbraw/zinc/55/71/19/1128557119.db2.gz NZEJGIDZJLXYJH-KGLIPLIRSA-N 1 3 342.484 -0.206 20 0 EBADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774617 1128841511 /nfs/dbraw/zinc/84/15/11/1128841511.db2.gz XAOVLQDTDXECEL-XQHKEYJVSA-N 1 3 339.440 -0.604 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC001412479687 1129537938 /nfs/dbraw/zinc/53/79/38/1129537938.db2.gz UBWUSLBGCWSXPC-LSDHHAIUSA-N 1 3 338.452 -0.306 20 0 EBADHO C[C@@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001412964254 1129821181 /nfs/dbraw/zinc/82/11/81/1129821181.db2.gz FBPOKCIQBFXQKZ-GJZGRUSLSA-N 1 3 342.484 -0.204 20 0 EBADHO CCCN(C)CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001413359182 1130045782 /nfs/dbraw/zinc/04/57/82/1130045782.db2.gz YSRHXTSBWFLUOU-QLFBSQMISA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001413359182 1130045788 /nfs/dbraw/zinc/04/57/88/1130045788.db2.gz YSRHXTSBWFLUOU-QLFBSQMISA-N 1 3 342.484 -0.396 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001490998568 1130283761 /nfs/dbraw/zinc/28/37/61/1130283761.db2.gz FFNCSTYCKGJVDM-CQSZACIVSA-N 1 3 326.441 -0.670 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548073 1130498294 /nfs/dbraw/zinc/49/82/94/1130498294.db2.gz NBIYUAYDWMEBRH-NEPJUHHUSA-N 1 3 341.456 -0.201 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001216494587 1130523322 /nfs/dbraw/zinc/52/33/22/1130523322.db2.gz NXKIGVAIAXLZJN-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001216494587 1130523323 /nfs/dbraw/zinc/52/33/23/1130523323.db2.gz NXKIGVAIAXLZJN-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001492049087 1130577442 /nfs/dbraw/zinc/57/74/42/1130577442.db2.gz WGXWIZNTQHZNGD-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001480530721 1130826825 /nfs/dbraw/zinc/82/68/25/1130826825.db2.gz MYDFJCYFUNVPIP-MNOVXSKESA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](CN1CCN(C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001356621813 1130887028 /nfs/dbraw/zinc/88/70/28/1130887028.db2.gz MZNVAQJSSZQYHP-AWEZNQCLSA-N 1 3 326.489 -0.655 20 0 EBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001356780969 1130937575 /nfs/dbraw/zinc/93/75/75/1130937575.db2.gz QVHNHDZZMDSRBY-OAHLLOKOSA-N 1 3 328.457 -0.522 20 0 EBADHO CN1CCN(C2CC[NH+](CC3CN(S(C)(=O)=O)C3)CC2)CC1 ZINC001363293821 1131879676 /nfs/dbraw/zinc/87/96/76/1131879676.db2.gz XZTFKQAPKKBXQX-UHFFFAOYSA-N 1 3 330.498 -0.410 20 0 EBADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC001364220438 1132243007 /nfs/dbraw/zinc/24/30/07/1132243007.db2.gz QJIYMCUQNGFSDK-BZUAXINKSA-N 1 3 341.500 -0.281 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001364307827 1132270550 /nfs/dbraw/zinc/27/05/50/1132270550.db2.gz JLRRGSAYJGGKCO-ZDUSSCGKSA-N 1 3 343.472 -0.720 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001364307827 1132270559 /nfs/dbraw/zinc/27/05/59/1132270559.db2.gz JLRRGSAYJGGKCO-ZDUSSCGKSA-N 1 3 343.472 -0.720 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365825216 1132819833 /nfs/dbraw/zinc/81/98/33/1132819833.db2.gz URRIOSKBRHPFHZ-MELADBBJSA-N 1 3 331.482 -0.143 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365825216 1132819841 /nfs/dbraw/zinc/81/98/41/1132819841.db2.gz URRIOSKBRHPFHZ-MELADBBJSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001366098523 1133003139 /nfs/dbraw/zinc/00/31/39/1133003139.db2.gz NFAXQPLSEYRSRA-ZDUSSCGKSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366207425 1133056326 /nfs/dbraw/zinc/05/63/26/1133056326.db2.gz OUCYWBKPCDTMSO-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366208014 1133056366 /nfs/dbraw/zinc/05/63/66/1133056366.db2.gz OUCYWBKPCDTMSO-VXGBXAGGSA-N 1 3 327.429 -0.650 20 0 EBADHO O=C(CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NCC(F)(F)F ZINC001366388231 1133124860 /nfs/dbraw/zinc/12/48/60/1133124860.db2.gz PNQYAMJVDDBRKR-NSHDSACASA-N 1 3 348.369 -0.049 20 0 EBADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513006 1133162771 /nfs/dbraw/zinc/16/27/71/1133162771.db2.gz XXXDLXOOTLWXPO-QWRGUYRKSA-N 1 3 340.453 -0.087 20 0 EBADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513006 1133162778 /nfs/dbraw/zinc/16/27/78/1133162778.db2.gz XXXDLXOOTLWXPO-QWRGUYRKSA-N 1 3 340.453 -0.087 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001366705069 1133264770 /nfs/dbraw/zinc/26/47/70/1133264770.db2.gz KLCJGWNXTJVLJR-AWEZNQCLSA-N 1 3 325.457 -0.209 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366705069 1133264774 /nfs/dbraw/zinc/26/47/74/1133264774.db2.gz KLCJGWNXTJVLJR-AWEZNQCLSA-N 1 3 325.457 -0.209 20 0 EBADHO CC(C)[C@H](C(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983350 1133402024 /nfs/dbraw/zinc/40/20/24/1133402024.db2.gz AVWVOMSTQXXTKT-HZPDHXFCSA-N 1 3 337.468 -0.122 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001367249422 1133515049 /nfs/dbraw/zinc/51/50/49/1133515049.db2.gz RSCYUUYARFNBSH-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433769 1133588479 /nfs/dbraw/zinc/58/84/79/1133588479.db2.gz FKTFOGRTVNWUSF-NEPJUHHUSA-N 1 3 339.440 -0.508 20 0 EBADHO CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001367579199 1133647159 /nfs/dbraw/zinc/64/71/59/1133647159.db2.gz JHVZGGIQYUWOPH-CHWSQXEVSA-N 1 3 328.457 -0.419 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367618346 1133700757 /nfs/dbraw/zinc/70/07/57/1133700757.db2.gz CYWQNWYSBFJGJQ-GDBMZVCRSA-N 1 3 338.452 -0.462 20 0 EBADHO CC1CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367623359 1133709583 /nfs/dbraw/zinc/70/95/83/1133709583.db2.gz KEEKIHBNCAQOIE-LSDHHAIUSA-N 1 3 340.468 -0.737 20 0 EBADHO CC1CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001367623359 1133709588 /nfs/dbraw/zinc/70/95/88/1133709588.db2.gz KEEKIHBNCAQOIE-LSDHHAIUSA-N 1 3 340.468 -0.737 20 0 EBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001367704203 1133753727 /nfs/dbraw/zinc/75/37/27/1133753727.db2.gz ORATXPBLMVYRMI-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367734591 1133764398 /nfs/dbraw/zinc/76/43/98/1133764398.db2.gz LVGODFARLMMAPZ-NSHDSACASA-N 1 3 327.429 -0.460 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001367735517 1133764708 /nfs/dbraw/zinc/76/47/08/1133764708.db2.gz IDJSNALDNJUPQP-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001367751810 1133771144 /nfs/dbraw/zinc/77/11/44/1133771144.db2.gz CLLDVDLLPCWXDK-RYUDHWBXSA-N 1 3 329.445 -0.345 20 0 EBADHO C[C@@H]1CN(C(=O)CNC[C@@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111290 1133943059 /nfs/dbraw/zinc/94/30/59/1133943059.db2.gz VHERMXXPORXDQP-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001368393297 1134195734 /nfs/dbraw/zinc/19/57/34/1134195734.db2.gz CUNAHDDPJWCAKB-LSDHHAIUSA-N 1 3 340.468 -0.450 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001368393297 1134195737 /nfs/dbraw/zinc/19/57/37/1134195737.db2.gz CUNAHDDPJWCAKB-LSDHHAIUSA-N 1 3 340.468 -0.450 20 0 EBADHO CN(C)C1(C(=O)N(CCO)CC[NH2+][C@H]2CCCN(C)C2=O)CCC1 ZINC001368394418 1134197269 /nfs/dbraw/zinc/19/72/69/1134197269.db2.gz GUVDUFQWOVWIDB-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CNCC(=O)N2CCCC2)C1 ZINC001368504140 1134256817 /nfs/dbraw/zinc/25/68/17/1134256817.db2.gz JIAHZVIRNYTWQL-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001368507273 1134260197 /nfs/dbraw/zinc/26/01/97/1134260197.db2.gz PNQGJYMNXVJOQJ-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523339 1134273924 /nfs/dbraw/zinc/27/39/24/1134273924.db2.gz XQBFBCCPBRCDOJ-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001368678579 1134375969 /nfs/dbraw/zinc/37/59/69/1134375969.db2.gz KCCAYRVQSYJBKF-AWEZNQCLSA-N 1 3 338.452 -0.744 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001368689294 1134389532 /nfs/dbraw/zinc/38/95/32/1134389532.db2.gz QWADEDMUVIWHIA-KGLIPLIRSA-N 1 3 340.468 -0.322 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N1CCOCC1 ZINC001368775282 1134435101 /nfs/dbraw/zinc/43/51/01/1134435101.db2.gz QVKKMOZVVSJDEP-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368846030 1134464172 /nfs/dbraw/zinc/46/41/72/1134464172.db2.gz SBYWYRRATJAYHR-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](NCC(=O)NC1CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369149419 1134593986 /nfs/dbraw/zinc/59/39/86/1134593986.db2.gz LBTBAKJODSGFFN-OCCSQVGLSA-N 1 3 326.441 -0.578 20 0 EBADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCC(=O)N1CCOCC1)C1CC1 ZINC001369213048 1134618716 /nfs/dbraw/zinc/61/87/16/1134618716.db2.gz LOCHRIYIFXUGIC-HNNXBMFYSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241813 1134626451 /nfs/dbraw/zinc/62/64/51/1134626451.db2.gz VMUXBPMOIGWWGE-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277814 1134638350 /nfs/dbraw/zinc/63/83/50/1134638350.db2.gz PCCANELFOWXVTM-RYUDHWBXSA-N 1 3 329.445 -0.391 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369278343 1134639072 /nfs/dbraw/zinc/63/90/72/1134639072.db2.gz QMTCQDNYNVNMEA-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001369401939 1134760522 /nfs/dbraw/zinc/76/05/22/1134760522.db2.gz NDOBTMJBEPZHBC-STQMWFEESA-N 1 3 338.456 -0.081 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001369401939 1134760528 /nfs/dbraw/zinc/76/05/28/1134760528.db2.gz NDOBTMJBEPZHBC-STQMWFEESA-N 1 3 338.456 -0.081 20 0 EBADHO C[C@H](NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478624 1134842170 /nfs/dbraw/zinc/84/21/70/1134842170.db2.gz ALLPFCMTBIMRFL-QWHCGFSZSA-N 1 3 330.473 -0.350 20 0 EBADHO CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480529 1134846791 /nfs/dbraw/zinc/84/67/91/1134846791.db2.gz OGTLJJJGYZXPBI-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369480529 1134846802 /nfs/dbraw/zinc/84/68/02/1134846802.db2.gz OGTLJJJGYZXPBI-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484925 1134854448 /nfs/dbraw/zinc/85/44/48/1134854448.db2.gz QPIHNBKDZBNKGE-UONOGXRCSA-N 1 3 342.484 -0.348 20 0 EBADHO CCN1CC[C@@H](NC[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489592 1134862220 /nfs/dbraw/zinc/86/22/20/1134862220.db2.gz XRTXVMKZZOGHQN-ZIAGYGMSSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@H](NC[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490459 1134864645 /nfs/dbraw/zinc/86/46/45/1134864645.db2.gz PLCWOLFHOUMVRH-LSDHHAIUSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC001369577846 1134946622 /nfs/dbraw/zinc/94/66/22/1134946622.db2.gz KEUJXVWSEOHCST-UHFFFAOYSA-N 1 3 325.457 -0.068 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H](NCC(=O)N1CCOCC1)C1CC1 ZINC001370210580 1135251502 /nfs/dbraw/zinc/25/15/02/1135251502.db2.gz DLTPOANZMXFRSH-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1 ZINC001370257316 1135272215 /nfs/dbraw/zinc/27/22/15/1135272215.db2.gz QJNSRPOARDRIKQ-PWSUYJOCSA-N 1 3 325.413 -0.993 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)C1 ZINC001370257316 1135272218 /nfs/dbraw/zinc/27/22/18/1135272218.db2.gz QJNSRPOARDRIKQ-PWSUYJOCSA-N 1 3 325.413 -0.993 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001370547128 1135403372 /nfs/dbraw/zinc/40/33/72/1135403372.db2.gz JUNNRXCVWWSFIY-XDQVBPFNSA-N 1 3 331.482 -0.002 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001370739121 1135573057 /nfs/dbraw/zinc/57/30/57/1135573057.db2.gz ZAZMSZUIMIZMCE-AWEZNQCLSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O)[NH+](C)C ZINC001370964441 1135715258 /nfs/dbraw/zinc/71/52/58/1135715258.db2.gz OTKOBWDHXWCPEP-GXTWGEPZSA-N 1 3 341.456 -0.262 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001371033741 1135800776 /nfs/dbraw/zinc/80/07/76/1135800776.db2.gz HUPCCTNKHXUNSM-MRVWCRGKSA-N 1 3 337.424 -0.772 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001371033741 1135800783 /nfs/dbraw/zinc/80/07/83/1135800783.db2.gz HUPCCTNKHXUNSM-MRVWCRGKSA-N 1 3 337.424 -0.772 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001371178442 1135857150 /nfs/dbraw/zinc/85/71/50/1135857150.db2.gz LLDXFOPXNQNVJD-DGCLKSJQSA-N 1 3 339.440 -0.732 20 0 EBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001371197784 1135862841 /nfs/dbraw/zinc/86/28/41/1135862841.db2.gz CCIZPARZSVEWHT-CHWSQXEVSA-N 1 3 331.482 0.000 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001371476976 1135932173 /nfs/dbraw/zinc/93/21/73/1135932173.db2.gz KENGJRUIDSTLFV-ZIAGYGMSSA-N 1 3 337.424 -0.710 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)N(C)C ZINC001371537949 1135960821 /nfs/dbraw/zinc/96/08/21/1135960821.db2.gz PJNMUMGWEJWPTD-IJEWVQPXSA-N 1 3 342.484 -0.398 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O)N(C)C ZINC001371539912 1135962226 /nfs/dbraw/zinc/96/22/26/1135962226.db2.gz AIHQTXQINQYSGH-RDBSUJKOSA-N 1 3 328.457 -0.644 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O)N(C)C ZINC001371539912 1135962230 /nfs/dbraw/zinc/96/22/30/1135962230.db2.gz AIHQTXQINQYSGH-RDBSUJKOSA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001371557465 1135970176 /nfs/dbraw/zinc/97/01/76/1135970176.db2.gz WUIZPWLWMUSYST-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)CN1CCCC1=O ZINC001372477558 1136209342 /nfs/dbraw/zinc/20/93/42/1136209342.db2.gz QTSVNCUEYCSHGY-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)CN1CCCC1=O ZINC001372477558 1136209347 /nfs/dbraw/zinc/20/93/47/1136209347.db2.gz QTSVNCUEYCSHGY-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CN(CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001373330079 1136429841 /nfs/dbraw/zinc/42/98/41/1136429841.db2.gz NGQFQGNVYYVWPZ-CYBMUJFWSA-N 1 3 339.440 -0.697 20 0 EBADHO CN(CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001373330079 1136429843 /nfs/dbraw/zinc/42/98/43/1136429843.db2.gz NGQFQGNVYYVWPZ-CYBMUJFWSA-N 1 3 339.440 -0.697 20 0 EBADHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805648 1136564165 /nfs/dbraw/zinc/56/41/65/1136564165.db2.gz JKJPRHZSBSBEJV-CHWSQXEVSA-N 1 3 341.456 -0.071 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001374026539 1136608812 /nfs/dbraw/zinc/60/88/12/1136608812.db2.gz NBRFUHCONIQNGN-YPMHNXCESA-N 1 3 329.445 -0.630 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001374271261 1136663437 /nfs/dbraw/zinc/66/34/37/1136663437.db2.gz LODWJRKOXGBCCT-WCQYABFASA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303742 1136670100 /nfs/dbraw/zinc/67/01/00/1136670100.db2.gz JNNFIPPQNHFSIZ-ZDUSSCGKSA-N 1 3 341.456 -0.390 20 0 EBADHO CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001374354848 1136677925 /nfs/dbraw/zinc/67/79/25/1136677925.db2.gz TVAMVYZJOCVOJB-STQMWFEESA-N 1 3 341.456 -0.356 20 0 EBADHO NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606767 1136742161 /nfs/dbraw/zinc/74/21/61/1136742161.db2.gz TVPMPWNBULCYPE-OCCSQVGLSA-N 1 3 326.441 -0.807 20 0 EBADHO NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001374606767 1136742164 /nfs/dbraw/zinc/74/21/64/1136742164.db2.gz TVPMPWNBULCYPE-OCCSQVGLSA-N 1 3 326.441 -0.807 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C ZINC001374617792 1136752473 /nfs/dbraw/zinc/75/24/73/1136752473.db2.gz WONPAWSONIHAGG-UONOGXRCSA-N 1 3 342.484 -0.158 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C ZINC001374617792 1136752475 /nfs/dbraw/zinc/75/24/75/1136752475.db2.gz WONPAWSONIHAGG-UONOGXRCSA-N 1 3 342.484 -0.158 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)CC1 ZINC001374635876 1136765305 /nfs/dbraw/zinc/76/53/05/1136765305.db2.gz JBKLNVPOQCACTI-LBPRGKRZSA-N 1 3 328.457 -0.690 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001374654242 1136778033 /nfs/dbraw/zinc/77/80/33/1136778033.db2.gz WZISULMWTYRIKL-CABCVRRESA-N 1 3 342.484 -0.158 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001374672433 1136791269 /nfs/dbraw/zinc/79/12/69/1136791269.db2.gz NCQGCOHDEOKTRO-JSGCOSHPSA-N 1 3 330.473 -0.446 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674709 1136793446 /nfs/dbraw/zinc/79/34/46/1136793446.db2.gz JUIKTPGKOYJMBL-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674709 1136793447 /nfs/dbraw/zinc/79/34/47/1136793447.db2.gz JUIKTPGKOYJMBL-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCCCC1 ZINC001374679998 1136796931 /nfs/dbraw/zinc/79/69/31/1136796931.db2.gz APLUVWKNERGLNZ-OAHLLOKOSA-N 1 3 342.484 -0.204 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001374685976 1136801296 /nfs/dbraw/zinc/80/12/96/1136801296.db2.gz RQHXMWHQCXGWCF-HUUCEWRRSA-N 1 3 340.468 -0.402 20 0 EBADHO CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687475 1136803351 /nfs/dbraw/zinc/80/33/51/1136803351.db2.gz ZZGKIDFYPDIIKO-TZMCWYRMSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001374687475 1136803356 /nfs/dbraw/zinc/80/33/56/1136803356.db2.gz ZZGKIDFYPDIIKO-TZMCWYRMSA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001374773009 1136828526 /nfs/dbraw/zinc/82/85/26/1136828526.db2.gz UKRTYPHIDLUGPD-DGCLKSJQSA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001374773009 1136828530 /nfs/dbraw/zinc/82/85/30/1136828530.db2.gz UKRTYPHIDLUGPD-DGCLKSJQSA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000665764239 545696666 /nfs/dbraw/zinc/69/66/66/545696666.db2.gz YWORGIPAZHKJEF-SOUVJXGZSA-N 1 3 330.473 -0.357 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000665764239 545696671 /nfs/dbraw/zinc/69/66/71/545696671.db2.gz YWORGIPAZHKJEF-SOUVJXGZSA-N 1 3 330.473 -0.357 20 0 EBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000643558753 375902353 /nfs/dbraw/zinc/90/23/53/375902353.db2.gz XLQGIJFCGIGTRP-BFHYXJOUSA-N 1 3 326.441 -0.498 20 0 EBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643570003 375909145 /nfs/dbraw/zinc/90/91/45/375909145.db2.gz YGRAMSVCLLCKFH-OAHLLOKOSA-N 1 3 331.420 -0.059 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CCO1 ZINC000642780497 376119290 /nfs/dbraw/zinc/11/92/90/376119290.db2.gz HXSVNJFIZXMBHP-CJNGLKHVSA-N 1 3 348.447 -0.061 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCOC1 ZINC000556795345 376142105 /nfs/dbraw/zinc/14/21/05/376142105.db2.gz FMHKUADJAMTOPW-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C(C)(C)C[NH+](C)C ZINC000557292603 376169874 /nfs/dbraw/zinc/16/98/74/376169874.db2.gz WQABBQVEPHNCET-OLZOCXBDSA-N 1 3 327.473 -0.820 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000584187468 376218056 /nfs/dbraw/zinc/21/80/56/376218056.db2.gz INKFBSPZZWVXRN-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000625465237 376232902 /nfs/dbraw/zinc/23/29/02/376232902.db2.gz LJVNTCTXLKYWPG-OAHLLOKOSA-N 1 3 342.484 -0.129 20 0 EBADHO CNC(=O)NC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000408033176 376290561 /nfs/dbraw/zinc/29/05/61/376290561.db2.gz IOHZESHIOKFDEJ-ZIAGYGMSSA-N 1 3 325.457 -0.210 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](CN)C1 ZINC000569457956 376438253 /nfs/dbraw/zinc/43/82/53/376438253.db2.gz VRRTUWPYJUEDBY-AWEZNQCLSA-N 1 3 339.484 -0.674 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000079049435 376793054 /nfs/dbraw/zinc/79/30/54/376793054.db2.gz RJJJKAHEWYVLFZ-ZDUSSCGKSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000561256700 376823921 /nfs/dbraw/zinc/82/39/21/376823921.db2.gz BOXUJEIJKLVOOH-STQMWFEESA-N 1 3 338.452 -0.578 20 0 EBADHO CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000158357218 376940592 /nfs/dbraw/zinc/94/05/92/376940592.db2.gz BZBCLYMSAJKFAD-CYBMUJFWSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000158357218 376940603 /nfs/dbraw/zinc/94/06/03/376940603.db2.gz BZBCLYMSAJKFAD-CYBMUJFWSA-N 1 3 325.457 -0.033 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000572712889 377065210 /nfs/dbraw/zinc/06/52/10/377065210.db2.gz JHOGZRJVKYHXIT-LSDHHAIUSA-N 1 3 340.468 -0.247 20 0 EBADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000572643324 377234937 /nfs/dbraw/zinc/23/49/37/377234937.db2.gz RGQAJDUXJGGRKL-KGLIPLIRSA-N 1 3 347.415 -0.310 20 0 EBADHO C[NH2+]C[C@](C)(O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000580205155 377397958 /nfs/dbraw/zinc/39/79/58/377397958.db2.gz TXWZAXNSXLDCAC-KRWDZBQOSA-N 1 3 326.485 -0.167 20 0 EBADHO CN1CCC([NH+]2CCC(NC[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC000562989715 377414564 /nfs/dbraw/zinc/41/45/64/377414564.db2.gz QQNDSXVBEAIKEQ-GOSISDBHSA-N 1 3 340.512 -0.172 20 0 EBADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCC(=O)N3CCNCC3)C2)CC1 ZINC000592984049 377866509 /nfs/dbraw/zinc/86/65/09/377866509.db2.gz DYXVXKSHEFGKOM-QGZVFWFLSA-N 1 3 337.512 -0.091 20 0 EBADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCC(=O)N3CCNCC3)C2)CC1 ZINC000592984049 377866513 /nfs/dbraw/zinc/86/65/13/377866513.db2.gz DYXVXKSHEFGKOM-QGZVFWFLSA-N 1 3 337.512 -0.091 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636797989 378400074 /nfs/dbraw/zinc/40/00/74/378400074.db2.gz FRIMKYZOJASFDE-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643473 378467017 /nfs/dbraw/zinc/46/70/17/378467017.db2.gz MMBPYIVSEZSDQW-JKSUJKDBSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000604643473 378467021 /nfs/dbraw/zinc/46/70/21/378467021.db2.gz MMBPYIVSEZSDQW-JKSUJKDBSA-N 1 3 339.484 -0.214 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000339583030 378954993 /nfs/dbraw/zinc/95/49/93/378954993.db2.gz SRCORBGDSVACFU-UHFFFAOYSA-N 1 3 328.457 -0.735 20 0 EBADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(C)CC2)CCCO1 ZINC000339635368 378963437 /nfs/dbraw/zinc/96/34/37/378963437.db2.gz WOBJACHKWHLJGA-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(C)CC2)CCCO1 ZINC000339635368 378963447 /nfs/dbraw/zinc/96/34/47/378963447.db2.gz WOBJACHKWHLJGA-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)CCN(C)C)CC1 ZINC000339672447 378970452 /nfs/dbraw/zinc/97/04/52/378970452.db2.gz XDXWBTVYFQVSMB-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCCCN2CCO)CC1=O ZINC000452793208 379099115 /nfs/dbraw/zinc/09/91/15/379099115.db2.gz HHPDTRNWFOZVRJ-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458447935 379222062 /nfs/dbraw/zinc/22/20/62/379222062.db2.gz XBPWZGXCGSYJBQ-HUUCEWRRSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458447935 379222070 /nfs/dbraw/zinc/22/20/70/379222070.db2.gz XBPWZGXCGSYJBQ-HUUCEWRRSA-N 1 3 328.457 -0.147 20 0 EBADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627306008 379278427 /nfs/dbraw/zinc/27/84/27/379278427.db2.gz NGBGTJMXSHHPOH-CABCVRRESA-N 1 3 340.468 -0.322 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627319805 379323063 /nfs/dbraw/zinc/32/30/63/379323063.db2.gz HOCDRATZWQMGAY-CQSZACIVSA-N 1 3 328.457 -0.199 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCC(C)CC1 ZINC000627331568 379341747 /nfs/dbraw/zinc/34/17/47/379341747.db2.gz AZBIPGURBNSYRN-AWEZNQCLSA-N 1 3 328.457 -0.295 20 0 EBADHO COc1ccc([C@H](CNc2nc(N)nc(N)n2)[NH+](C)C)cc1OC ZINC000623797834 379465855 /nfs/dbraw/zinc/46/58/55/379465855.db2.gz CZVKYHPPIYVDDZ-JTQLQIEISA-N 1 3 333.396 -0.149 20 0 EBADHO Nc1nc(N)nc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000624048713 379502961 /nfs/dbraw/zinc/50/29/61/379502961.db2.gz SOVYGZAZKWCJEG-CHWSQXEVSA-N 1 3 329.408 -0.586 20 0 EBADHO Nc1nc(N)nc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000624048713 379502964 /nfs/dbraw/zinc/50/29/64/379502964.db2.gz SOVYGZAZKWCJEG-CHWSQXEVSA-N 1 3 329.408 -0.586 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453377 379603990 /nfs/dbraw/zinc/60/39/90/379603990.db2.gz LQWVLGQCOGFOLF-UHFFFAOYSA-N 1 3 328.457 -0.343 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452385 379603453 /nfs/dbraw/zinc/60/34/53/379603453.db2.gz JJMQENCWUWKRNT-UHFFFAOYSA-N 1 3 326.441 -0.445 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000627428632 379594656 /nfs/dbraw/zinc/59/46/56/379594656.db2.gz KTQKGPXVRGRKTO-AWEZNQCLSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627358053 379563231 /nfs/dbraw/zinc/56/32/31/379563231.db2.gz ZDZAHRRYJGEWGX-ZDUSSCGKSA-N 1 3 326.441 -0.541 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627358052 379563783 /nfs/dbraw/zinc/56/37/83/379563783.db2.gz ZDZAHRRYJGEWGX-CYBMUJFWSA-N 1 3 326.441 -0.541 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000627488904 379640325 /nfs/dbraw/zinc/64/03/25/379640325.db2.gz LSTNHVAURMGCIT-HNNXBMFYSA-N 1 3 340.468 -0.055 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000627502247 379646619 /nfs/dbraw/zinc/64/66/19/379646619.db2.gz PGWQTIWVLCLZRO-MELADBBJSA-N 1 3 326.441 -0.578 20 0 EBADHO CO[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000564191379 379800111 /nfs/dbraw/zinc/80/01/11/379800111.db2.gz RSIHETKTZBUIDQ-KGLIPLIRSA-N 1 3 342.484 -0.132 20 0 EBADHO COC[C@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000276056199 379806540 /nfs/dbraw/zinc/80/65/40/379806540.db2.gz UVGHUNLWGQHHJV-GTAWMXINSA-N 1 3 326.441 -0.531 20 0 EBADHO COC[C@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000276056199 379806544 /nfs/dbraw/zinc/80/65/44/379806544.db2.gz UVGHUNLWGQHHJV-GTAWMXINSA-N 1 3 326.441 -0.531 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626986885 379772582 /nfs/dbraw/zinc/77/25/82/379772582.db2.gz PQEYTJLVMSUQQL-HNNXBMFYSA-N 1 3 329.489 -0.123 20 0 EBADHO CN(C)CCCS(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631936001 379785386 /nfs/dbraw/zinc/78/53/86/379785386.db2.gz QEUCBQUKEQKTFP-LLVKDONJSA-N 1 3 346.419 -0.306 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627211818 379839111 /nfs/dbraw/zinc/83/91/11/379839111.db2.gz HOLZHXAQJNZTNF-HNNXBMFYSA-N 1 3 327.473 -0.227 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000627176208 379820562 /nfs/dbraw/zinc/82/05/62/379820562.db2.gz NEJIHLMPHZINBF-HNNXBMFYSA-N 1 3 327.473 -0.356 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)COC ZINC000340133685 380060200 /nfs/dbraw/zinc/06/02/00/380060200.db2.gz FNSFZYMVTOSYBB-HNNXBMFYSA-N 1 3 342.484 -0.034 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(=O)COC ZINC000340133685 380060204 /nfs/dbraw/zinc/06/02/04/380060204.db2.gz FNSFZYMVTOSYBB-HNNXBMFYSA-N 1 3 342.484 -0.034 20 0 EBADHO CNC(=O)Cn1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000133377044 380114849 /nfs/dbraw/zinc/11/48/49/380114849.db2.gz SDWYKBXHPQLRGH-UHFFFAOYSA-N 1 3 339.444 -0.414 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CCN(CCO)CC1 ZINC000355324464 380183924 /nfs/dbraw/zinc/18/39/24/380183924.db2.gz UKQQWOKBZUAFOO-ZDUSSCGKSA-N 1 3 328.457 -0.737 20 0 EBADHO CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000552988692 380314100 /nfs/dbraw/zinc/31/41/00/380314100.db2.gz OIEKKHYMNWGFFQ-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000565044472 380395770 /nfs/dbraw/zinc/39/57/70/380395770.db2.gz POBYBAPFNOIZPW-HOCLYGCPSA-N 1 3 349.483 -0.074 20 0 EBADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000565044471 380396616 /nfs/dbraw/zinc/39/66/16/380396616.db2.gz POBYBAPFNOIZPW-GOEBONIOSA-N 1 3 349.483 -0.074 20 0 EBADHO CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566511733 380480540 /nfs/dbraw/zinc/48/05/40/380480540.db2.gz AWGAKHNUJHBOFK-ZIAGYGMSSA-N 1 3 341.456 -0.702 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000567681987 380536143 /nfs/dbraw/zinc/53/61/43/380536143.db2.gz CNKBSIPVIHLERX-HZPDHXFCSA-N 1 3 326.485 -0.026 20 0 EBADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000567806194 380545313 /nfs/dbraw/zinc/54/53/13/380545313.db2.gz VNPCBNWDKJTMEC-KBPBESRZSA-N 1 3 328.457 -0.345 20 0 EBADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660692 380565264 /nfs/dbraw/zinc/56/52/64/380565264.db2.gz IBNLZDWVEFJAMJ-LSDHHAIUSA-N 1 3 340.468 -0.199 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](CN)C1 ZINC000569094686 380630047 /nfs/dbraw/zinc/63/00/47/380630047.db2.gz CIWWTOHWMNHGJT-AWEZNQCLSA-N 1 3 339.484 -0.674 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000569095818 380630084 /nfs/dbraw/zinc/63/00/84/380630084.db2.gz ADEMXNIRBYEXHZ-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000572726935 380643029 /nfs/dbraw/zinc/64/30/29/380643029.db2.gz MEBXHIZKXKDCOK-ZDUSSCGKSA-N 1 3 349.501 -0.845 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287556 380593278 /nfs/dbraw/zinc/59/32/78/380593278.db2.gz CNNRVVFXFVCCOH-LWWDWZNRSA-N 1 3 335.452 -0.154 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CO)CC1 ZINC000574048202 380697197 /nfs/dbraw/zinc/69/71/97/380697197.db2.gz SQUISDBXYQBNGO-UHFFFAOYSA-N 1 3 328.457 -0.831 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000574278766 380707027 /nfs/dbraw/zinc/70/70/27/380707027.db2.gz DDYCFNBNQLRXJQ-CWRNSKLLSA-N 1 3 340.468 -0.169 20 0 EBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000574466856 380712818 /nfs/dbraw/zinc/71/28/18/380712818.db2.gz UPITUQRNXNXPAR-AWEZNQCLSA-N 1 3 334.420 -0.279 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000574831297 380726398 /nfs/dbraw/zinc/72/63/98/380726398.db2.gz APDFQZTZYFOMOM-UHFFFAOYSA-N 1 3 337.424 -0.724 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000341693378 380727742 /nfs/dbraw/zinc/72/77/42/380727742.db2.gz RZHRTXRUCQLZPU-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000577373660 380820185 /nfs/dbraw/zinc/82/01/85/380820185.db2.gz WRQXOTNHYVWQFA-CABCVRRESA-N 1 3 337.468 -0.920 20 0 EBADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000577373660 380820189 /nfs/dbraw/zinc/82/01/89/380820189.db2.gz WRQXOTNHYVWQFA-CABCVRRESA-N 1 3 337.468 -0.920 20 0 EBADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)NCC[NH+](C)C)C2 ZINC000377257896 380962948 /nfs/dbraw/zinc/96/29/48/380962948.db2.gz ZGILVNQPRJWAJZ-AGUYFDCRSA-N 1 3 325.457 -0.069 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000579346927 380984422 /nfs/dbraw/zinc/98/44/22/380984422.db2.gz YJZYGCJFSQNMFB-LBPRGKRZSA-N 1 3 327.429 -0.731 20 0 EBADHO CC1CC[NH+](C[C@@H](O)CNC[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000579712951 381010386 /nfs/dbraw/zinc/01/03/86/381010386.db2.gz ZATRJLMTAOOGSO-DLBZAZTESA-N 1 3 328.501 -0.723 20 0 EBADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000579712951 381010392 /nfs/dbraw/zinc/01/03/92/381010392.db2.gz ZATRJLMTAOOGSO-DLBZAZTESA-N 1 3 328.501 -0.723 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418393757 381122676 /nfs/dbraw/zinc/12/26/76/381122676.db2.gz YKEALYCHKWNQHJ-UONOGXRCSA-N 1 3 325.457 -0.082 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418393755 381123522 /nfs/dbraw/zinc/12/35/22/381123522.db2.gz YKEALYCHKWNQHJ-KBPBESRZSA-N 1 3 325.457 -0.082 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000584829523 381215434 /nfs/dbraw/zinc/21/54/34/381215434.db2.gz TUBRXIQXJBAVMK-CYBMUJFWSA-N 1 3 325.457 -0.922 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418760232 381263747 /nfs/dbraw/zinc/26/37/47/381263747.db2.gz JWKIRLTXNJAJOV-GJZGRUSLSA-N 1 3 327.473 -0.718 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000418845082 381302190 /nfs/dbraw/zinc/30/21/90/381302190.db2.gz UTVKZTUCLFCFIC-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478888 381328227 /nfs/dbraw/zinc/32/82/27/381328227.db2.gz MBBDREOKLQICHT-HOCLYGCPSA-N 1 3 343.431 -0.059 20 0 EBADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478911 381328276 /nfs/dbraw/zinc/32/82/76/381328276.db2.gz OQOBALMYQDQQOF-GOEBONIOSA-N 1 3 343.431 -0.059 20 0 EBADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478887 381328915 /nfs/dbraw/zinc/32/89/15/381328915.db2.gz MBBDREOKLQICHT-GOEBONIOSA-N 1 3 343.431 -0.059 20 0 EBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@H]2CNCCO2)([NH+](C)C)C1 ZINC000418925022 381342262 /nfs/dbraw/zinc/34/22/62/381342262.db2.gz PVYGSMQEIHIIBU-CKEIUWERSA-N 1 3 340.468 -0.282 20 0 EBADHO COC(=O)CNC(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000348004050 381309879 /nfs/dbraw/zinc/30/98/79/381309879.db2.gz ZHUQNOQCCWAVGO-UHFFFAOYSA-N 1 3 342.440 -0.945 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419033197 381357611 /nfs/dbraw/zinc/35/76/11/381357611.db2.gz YDUPBFFKSNGUMO-MCIONIFRSA-N 1 3 328.457 -0.751 20 0 EBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419192731 381405936 /nfs/dbraw/zinc/40/59/36/381405936.db2.gz YLKCJOQBMMBQPK-AWEZNQCLSA-N 1 3 341.500 -0.238 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419242815 381407470 /nfs/dbraw/zinc/40/74/70/381407470.db2.gz RPHQBUMCTCPTHO-NEPJUHHUSA-N 1 3 326.441 -0.184 20 0 EBADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419172787 381393769 /nfs/dbraw/zinc/39/37/69/381393769.db2.gz RLASEDLEIPVZCK-AWEZNQCLSA-N 1 3 328.457 -0.463 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CN1C1CC1 ZINC000419321822 381416725 /nfs/dbraw/zinc/41/67/25/381416725.db2.gz ROYIJRHPTJWWJD-GFQSEFKGSA-N 1 3 338.452 -0.043 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419230936 381402040 /nfs/dbraw/zinc/40/20/40/381402040.db2.gz QMKXMGCEVXBEOY-LSDHHAIUSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419230936 381402048 /nfs/dbraw/zinc/40/20/48/381402048.db2.gz QMKXMGCEVXBEOY-LSDHHAIUSA-N 1 3 338.452 -0.528 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1 ZINC000349006906 381427696 /nfs/dbraw/zinc/42/76/96/381427696.db2.gz UHBGWRHRGVALHD-UHFFFAOYSA-N 1 3 348.447 -0.027 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419413118 381431111 /nfs/dbraw/zinc/43/11/11/381431111.db2.gz RRJNCTNXZSUHBX-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419432640 381435598 /nfs/dbraw/zinc/43/55/98/381435598.db2.gz YKAQNNLZDHAMPR-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419432642 381436975 /nfs/dbraw/zinc/43/69/75/381436975.db2.gz YKAQNNLZDHAMPR-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419451265 381441504 /nfs/dbraw/zinc/44/15/04/381441504.db2.gz MYSUFMLCHIYSQQ-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850312 381506890 /nfs/dbraw/zinc/50/68/90/381506890.db2.gz FQZSNIKSPVNXIE-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419865729 381513516 /nfs/dbraw/zinc/51/35/16/381513516.db2.gz UBUXERKRDJHWDR-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419891822 381518901 /nfs/dbraw/zinc/51/89/01/381518901.db2.gz NQWDXKQBDOEMML-UONOGXRCSA-N 1 3 328.457 -0.473 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419891093 381519752 /nfs/dbraw/zinc/51/97/52/381519752.db2.gz MUVXTDFAKGSCLQ-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814306 381497739 /nfs/dbraw/zinc/49/77/39/381497739.db2.gz HGOYOMDFBRVPAQ-KFWWJZLASA-N 1 3 339.484 -0.805 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@H](C)NC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000419837278 381502788 /nfs/dbraw/zinc/50/27/88/381502788.db2.gz WMYWLUMMVASIRP-ILXRZTDVSA-N 1 3 339.484 -0.805 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420150856 381548884 /nfs/dbraw/zinc/54/88/84/381548884.db2.gz AGUWAWALTBORRX-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420177388 381563080 /nfs/dbraw/zinc/56/30/80/381563080.db2.gz CFEHXXORUSKXKE-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420204843 381568511 /nfs/dbraw/zinc/56/85/11/381568511.db2.gz DCSIJMDOWWXFGV-CABCVRRESA-N 1 3 338.452 -0.432 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000571876552 381621704 /nfs/dbraw/zinc/62/17/04/381621704.db2.gz FGURVXRGVNZPOR-CQSZACIVSA-N 1 3 327.473 -0.010 20 0 EBADHO CSCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167408255 381624260 /nfs/dbraw/zinc/62/42/60/381624260.db2.gz BRPUZRAXARCUON-ZDUSSCGKSA-N 1 3 328.482 -0.167 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000572111616 381640951 /nfs/dbraw/zinc/64/09/51/381640951.db2.gz MPHCNUWVJMCSAG-HUUCEWRRSA-N 1 3 339.484 -0.994 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000572228466 381652194 /nfs/dbraw/zinc/65/21/94/381652194.db2.gz XKIJWRHIVHUCEN-CABCVRRESA-N 1 3 341.500 -0.558 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000627457922 381802102 /nfs/dbraw/zinc/80/21/02/381802102.db2.gz NYTOUTGMYBYTFK-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO O=C(NCC1C[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612915486 381878066 /nfs/dbraw/zinc/87/80/66/381878066.db2.gz QVYAIOHSNLTZPC-AWEZNQCLSA-N 1 3 347.467 -0.072 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)N(CCOC)CCN(C)C)CC[C@H]1[NH3+] ZINC000643511240 381962368 /nfs/dbraw/zinc/96/23/68/381962368.db2.gz ZJJBCANNYKGLRG-UONOGXRCSA-N 1 3 328.457 -0.391 20 0 EBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643516771 382022275 /nfs/dbraw/zinc/02/22/75/382022275.db2.gz UGIAEIAGXPIEJO-OAGGEKHMSA-N 1 3 349.479 -0.812 20 0 EBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643516770 382022360 /nfs/dbraw/zinc/02/23/60/382022360.db2.gz UGIAEIAGXPIEJO-BZUAXINKSA-N 1 3 349.479 -0.812 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCSC1 ZINC000652685512 545831135 /nfs/dbraw/zinc/83/11/35/545831135.db2.gz NBKRCVCFNLLJDX-OAHLLOKOSA-N 1 3 328.482 -0.215 20 0 EBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1)[C@H]1CCC[NH2+]1 ZINC000245559107 154180438 /nfs/dbraw/zinc/18/04/38/154180438.db2.gz UAVFXRVPZXKCHF-WOSRLPQWSA-N 1 3 326.416 -0.205 20 0 EBADHO COCC1(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[NH2+]CC1 ZINC000261739736 154199673 /nfs/dbraw/zinc/19/96/73/154199673.db2.gz NULCURQEELQEFP-CQSZACIVSA-N 1 3 340.468 -0.471 20 0 EBADHO NC(=O)NC(=O)CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261962078 154206158 /nfs/dbraw/zinc/20/61/58/154206158.db2.gz XYHSSHNZOCYANL-RYUDHWBXSA-N 1 3 325.413 -0.848 20 0 EBADHO CO[C@H](C[NH3+])CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262785580 154246954 /nfs/dbraw/zinc/24/69/54/154246954.db2.gz COSAPAOMWDGVHA-HNNXBMFYSA-N 1 3 336.436 -0.042 20 0 EBADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCN(C)C2CC2)CCCO1 ZINC000343308201 156122035 /nfs/dbraw/zinc/12/20/35/156122035.db2.gz KWSJYJCYZHFSSO-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCN(C)C2CC2)CCCO1 ZINC000343308201 156122039 /nfs/dbraw/zinc/12/20/39/156122039.db2.gz KWSJYJCYZHFSSO-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(C)CCC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000344041461 156199992 /nfs/dbraw/zinc/19/99/92/156199992.db2.gz VTJOZEKTENGUIW-UHFFFAOYSA-N 1 3 327.517 -0.034 20 0 EBADHO CN(C)CCN(C)CCC[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000344041461 156199995 /nfs/dbraw/zinc/19/99/95/156199995.db2.gz VTJOZEKTENGUIW-UHFFFAOYSA-N 1 3 327.517 -0.034 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)CC1 ZINC000356925597 157104443 /nfs/dbraw/zinc/10/44/43/157104443.db2.gz URVLMCBVAVGYSH-HOTGVXAUSA-N 1 3 326.485 -0.073 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357579523 157155894 /nfs/dbraw/zinc/15/58/94/157155894.db2.gz PDHVGXAOXAPJKF-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357579523 157155896 /nfs/dbraw/zinc/15/58/96/157155896.db2.gz PDHVGXAOXAPJKF-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000358503327 157251092 /nfs/dbraw/zinc/25/10/92/157251092.db2.gz QBOGEOVJEDEYSN-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CSC1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000521311967 418952534 /nfs/dbraw/zinc/95/25/34/418952534.db2.gz MSNKKZKNYJNSIS-UHFFFAOYSA-N 1 3 330.498 -0.050 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000647597090 419122419 /nfs/dbraw/zinc/12/24/19/419122419.db2.gz LLJCRJXPBSXSDP-SOUVJXGZSA-N 1 3 339.484 -0.533 20 0 EBADHO CN(C)CC[NH+]1CCC(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC000650627557 419056711 /nfs/dbraw/zinc/05/67/11/419056711.db2.gz PMCFSLUOCCNSHG-MRXNPFEDSA-N 1 3 339.484 -0.527 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN(CC)C2CC2)C[C@H]1C[NH3+] ZINC000652684044 419253573 /nfs/dbraw/zinc/25/35/73/419253573.db2.gz DNVNNWINJGIIBJ-TZMCWYRMSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000652623214 419241454 /nfs/dbraw/zinc/24/14/54/419241454.db2.gz CSFXBRTWESZTDI-GXTWGEPZSA-N 1 3 334.424 -0.406 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652712933 419303891 /nfs/dbraw/zinc/30/38/91/419303891.db2.gz DOTIUVLXNCGEAM-AWEZNQCLSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CCO1 ZINC000652731416 419331185 /nfs/dbraw/zinc/33/11/85/419331185.db2.gz JQJNWEVVNVXJEE-ZIAGYGMSSA-N 1 3 326.441 -0.495 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000659608550 419520823 /nfs/dbraw/zinc/52/08/23/419520823.db2.gz PMUNIOUHHBWGSJ-NWANDNLSSA-N 1 3 326.441 -0.003 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000659608548 419521939 /nfs/dbraw/zinc/52/19/39/419521939.db2.gz PMUNIOUHHBWGSJ-AEGPPILISA-N 1 3 326.441 -0.003 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419878543 419815199 /nfs/dbraw/zinc/81/51/99/419815199.db2.gz JKWXWHCKFJFEGU-HNNXBMFYSA-N 1 3 337.468 -0.905 20 0 EBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419947953 419828502 /nfs/dbraw/zinc/82/85/02/419828502.db2.gz YFOOWAQFQABVRK-KBPBESRZSA-N 1 3 339.484 -0.676 20 0 EBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419947954 419829907 /nfs/dbraw/zinc/82/99/07/419829907.db2.gz YFOOWAQFQABVRK-KGLIPLIRSA-N 1 3 339.484 -0.676 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423202303 419924186 /nfs/dbraw/zinc/92/41/86/419924186.db2.gz AMVIRCVPUYMFKV-YOEHRIQHSA-N 1 3 340.468 -0.247 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423206083 419924349 /nfs/dbraw/zinc/92/43/49/419924349.db2.gz FTAWJXBOJJYEKV-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423262018 419925060 /nfs/dbraw/zinc/92/50/60/419925060.db2.gz LKMVXXPCMWOZMS-UHFFFAOYSA-N 1 3 328.457 -0.247 20 0 EBADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@@H]1O ZINC000655096158 420852442 /nfs/dbraw/zinc/85/24/42/420852442.db2.gz FZGHEIAHNNGPKF-UGUYLWEFSA-N 1 3 325.453 -0.133 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656019789 420866676 /nfs/dbraw/zinc/86/66/76/420866676.db2.gz JLUBASBMYYBIEY-GJZGRUSLSA-N 1 3 337.468 -0.859 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000658537924 420960703 /nfs/dbraw/zinc/96/07/03/420960703.db2.gz YZRGHROIBRXSSX-CABCVRRESA-N 1 3 340.468 -0.567 20 0 EBADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000659681819 421012633 /nfs/dbraw/zinc/01/26/33/421012633.db2.gz ATBYFQLGNQEZJT-TXKKKEFDSA-N 1 3 349.479 -0.861 20 0 EBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659700057 421017027 /nfs/dbraw/zinc/01/70/27/421017027.db2.gz ZAFUZFPBMNXDMN-JTQLQIEISA-N 1 3 338.412 -0.896 20 0 EBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659700057 421017029 /nfs/dbraw/zinc/01/70/29/421017029.db2.gz ZAFUZFPBMNXDMN-JTQLQIEISA-N 1 3 338.412 -0.896 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659716987 421020429 /nfs/dbraw/zinc/02/04/29/421020429.db2.gz DBWDXKACXQWRCN-CYBMUJFWSA-N 1 3 333.436 -0.127 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000659752213 421030283 /nfs/dbraw/zinc/03/02/83/421030283.db2.gz YMAKLEASQQIEFT-CQSZACIVSA-N 1 3 339.484 -0.804 20 0 EBADHO CN(C)CCn1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)n1 ZINC000433382936 421195240 /nfs/dbraw/zinc/19/52/40/421195240.db2.gz QPVJAXJKZDSTAJ-LBPRGKRZSA-N 1 3 332.412 0.213 20 0 EBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423615163 265020068 /nfs/dbraw/zinc/02/00/68/265020068.db2.gz UMUADCAYKINYAU-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000423984075 265043908 /nfs/dbraw/zinc/04/39/08/265043908.db2.gz BIAMUQSFKUFIQZ-RRFJBIMHSA-N 1 3 338.452 -0.576 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000423984075 265043911 /nfs/dbraw/zinc/04/39/11/265043911.db2.gz BIAMUQSFKUFIQZ-RRFJBIMHSA-N 1 3 338.452 -0.576 20 0 EBADHO N[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424003934 265046016 /nfs/dbraw/zinc/04/60/16/265046016.db2.gz ALKPTMLRIUXGOJ-ZNMIVQPWSA-N 1 3 334.395 -0.053 20 0 EBADHO C[C@@H]1[C@H](N(C)CCO)CC[N@@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000429172019 265133089 /nfs/dbraw/zinc/13/30/89/265133089.db2.gz JGFKTULJXQCMPF-OVYGPGRDSA-N 1 3 329.485 -0.157 20 0 EBADHO C[C@@H]1[C@H](N(C)CCO)CC[N@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000429172019 265133093 /nfs/dbraw/zinc/13/30/93/265133093.db2.gz JGFKTULJXQCMPF-OVYGPGRDSA-N 1 3 329.485 -0.157 20 0 EBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCc2nnnn2-c2ccccc2)C1 ZINC000430602645 265150346 /nfs/dbraw/zinc/15/03/46/265150346.db2.gz HMEOVSBTKPOBQV-AWEZNQCLSA-N 1 3 343.435 -0.008 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000420185312 272823288 /nfs/dbraw/zinc/82/32/88/272823288.db2.gz PCWBURGVNZWSNR-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000665760737 545679379 /nfs/dbraw/zinc/67/93/79/545679379.db2.gz OFIXBILRHYCGKB-QWHCGFSZSA-N 1 3 328.461 -0.289 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000665760737 545679387 /nfs/dbraw/zinc/67/93/87/545679387.db2.gz OFIXBILRHYCGKB-QWHCGFSZSA-N 1 3 328.461 -0.289 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCSC1 ZINC000652685511 545831052 /nfs/dbraw/zinc/83/10/52/545831052.db2.gz NBKRCVCFNLLJDX-HNNXBMFYSA-N 1 3 328.482 -0.215 20 0 EBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000671033640 545899124 /nfs/dbraw/zinc/89/91/24/545899124.db2.gz QJOHKHSMDHVBHL-OAHLLOKOSA-N 1 3 339.484 -0.659 20 0 EBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666975528 546046993 /nfs/dbraw/zinc/04/69/93/546046993.db2.gz QYNORQCLWBDBTC-ZBFHGGJFSA-N 1 3 328.457 -0.149 20 0 EBADHO Cc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ncn1 ZINC000672631272 546114170 /nfs/dbraw/zinc/11/41/70/546114170.db2.gz QITQIVYVSGTVJJ-UHFFFAOYSA-N 1 3 336.440 -0.647 20 0 EBADHO CN1CCC(O)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892776649 582587691 /nfs/dbraw/zinc/58/76/91/582587691.db2.gz HGKOIFCJGYZVMD-AWEZNQCLSA-N 1 3 340.468 -0.099 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000897514589 582694522 /nfs/dbraw/zinc/69/45/22/582694522.db2.gz UFFQPQGMWCJECM-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000897514589 582694526 /nfs/dbraw/zinc/69/45/26/582694526.db2.gz UFFQPQGMWCJECM-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000900693479 582779256 /nfs/dbraw/zinc/77/92/56/582779256.db2.gz UFVSNXFZRRKKQE-DOTOQJQBSA-N 1 3 326.485 -0.074 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000900693479 582779259 /nfs/dbraw/zinc/77/92/59/582779259.db2.gz UFVSNXFZRRKKQE-DOTOQJQBSA-N 1 3 326.485 -0.074 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000900693479 582779260 /nfs/dbraw/zinc/77/92/60/582779260.db2.gz UFVSNXFZRRKKQE-DOTOQJQBSA-N 1 3 326.485 -0.074 20 0 EBADHO COCCCNC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491954 582809255 /nfs/dbraw/zinc/80/92/55/582809255.db2.gz HNHQWTDAHQSTAQ-IATRGZMQSA-N 1 3 327.425 -0.260 20 0 EBADHO CNS(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509355 582809775 /nfs/dbraw/zinc/80/97/75/582809775.db2.gz GDEYJGDPJDGRAN-GASCZTMLSA-N 1 3 330.498 -0.174 20 0 EBADHO CNS(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509355 582809779 /nfs/dbraw/zinc/80/97/79/582809779.db2.gz GDEYJGDPJDGRAN-GASCZTMLSA-N 1 3 330.498 -0.174 20 0 EBADHO CNS(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903509355 582809780 /nfs/dbraw/zinc/80/97/80/582809780.db2.gz GDEYJGDPJDGRAN-GASCZTMLSA-N 1 3 330.498 -0.174 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCCS(=O)(=O)N(C)C)C2 ZINC000903492623 582809837 /nfs/dbraw/zinc/80/98/37/582809837.db2.gz HYPIXXSMSOCLJM-SCRDCRAPSA-N 1 3 333.454 -0.520 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903732105 582814757 /nfs/dbraw/zinc/81/47/57/582814757.db2.gz PCIFIDWYDMTFDQ-GHMZBOCLSA-N 1 3 336.358 -0.111 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735767 582815890 /nfs/dbraw/zinc/81/58/90/582815890.db2.gz DJZUXKZFJZZCCC-FUHWJXTLSA-N 1 3 336.480 -0.005 20 0 EBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804058360 583640439 /nfs/dbraw/zinc/64/04/39/583640439.db2.gz ZYYOBVPTSNUQHG-RRFJBIMHSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804058360 583640441 /nfs/dbraw/zinc/64/04/41/583640441.db2.gz ZYYOBVPTSNUQHG-RRFJBIMHSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000824819086 583850562 /nfs/dbraw/zinc/85/05/62/583850562.db2.gz JXIFALYFPZCJCV-DZGCQCFKSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000824819086 583850565 /nfs/dbraw/zinc/85/05/65/583850565.db2.gz JXIFALYFPZCJCV-DZGCQCFKSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(C)CCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000825924731 583870962 /nfs/dbraw/zinc/87/09/62/583870962.db2.gz DXCAVLHMYZRMPW-CYBMUJFWSA-N 1 3 329.445 -0.674 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CCCCC1 ZINC000842016311 584056461 /nfs/dbraw/zinc/05/64/61/584056461.db2.gz UBHOJUWVWUJIRG-HZSPNIEDSA-N 1 3 326.441 -0.448 20 0 EBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844180298 584090234 /nfs/dbraw/zinc/09/02/34/584090234.db2.gz QVFTWVNYYUSFRS-CABCVRRESA-N 1 3 333.436 -0.059 20 0 EBADHO [NH3+]CCC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000846327852 584124662 /nfs/dbraw/zinc/12/46/62/584124662.db2.gz DXQGJJPZWXZDDP-LSDHHAIUSA-N 1 3 338.452 -0.447 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)[C@H](C[NH3+])C1 ZINC000851684875 584198246 /nfs/dbraw/zinc/19/82/46/584198246.db2.gz MJLDXHASGWPSLC-QPSCCSFWSA-N 1 3 338.452 -0.448 20 0 EBADHO NCCN(CCO)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000851691242 584200169 /nfs/dbraw/zinc/20/01/69/584200169.db2.gz TXRCTJTVVPVCCJ-UHFFFAOYSA-N 1 3 326.441 -0.996 20 0 EBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000863757017 584376828 /nfs/dbraw/zinc/37/68/28/584376828.db2.gz RHJMMHANDMVPAE-KGLIPLIRSA-N 1 3 325.457 -0.970 20 0 EBADHO Cn1nnnc1CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000866669264 584402950 /nfs/dbraw/zinc/40/29/50/584402950.db2.gz VZGIZEPRCVJANX-ZDUSSCGKSA-N 1 3 345.455 -0.235 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875088156 584489182 /nfs/dbraw/zinc/48/91/82/584489182.db2.gz YKDGDXFMNJRIGU-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875088156 584489184 /nfs/dbraw/zinc/48/91/84/584489184.db2.gz YKDGDXFMNJRIGU-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO COC(=O)C1(O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000875713081 584504886 /nfs/dbraw/zinc/50/48/86/584504886.db2.gz JQAVZQQDIFBLSB-LBPRGKRZSA-N 1 3 330.429 -0.812 20 0 EBADHO COC(=O)C1(O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000875713081 584504888 /nfs/dbraw/zinc/50/48/88/584504888.db2.gz JQAVZQQDIFBLSB-LBPRGKRZSA-N 1 3 330.429 -0.812 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876748567 584522108 /nfs/dbraw/zinc/52/21/08/584522108.db2.gz GJQQUBKWKFRFCL-TUAOUCFPSA-N 1 3 332.395 -0.115 20 0 EBADHO c1nnnn1CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883437661 584601371 /nfs/dbraw/zinc/60/13/71/584601371.db2.gz XTSPBXWUMZCDAB-ZDUSSCGKSA-N 1 3 331.428 -0.315 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883640305 584604056 /nfs/dbraw/zinc/60/40/56/584604056.db2.gz LUECEFGWVJFGMR-HIFRSBDPSA-N 1 3 347.419 -0.695 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2CCCNCC2)CCN1c1cc[nH+]cc1 ZINC000883638254 584604076 /nfs/dbraw/zinc/60/40/76/584604076.db2.gz HHULQADDNVQMRA-AWEZNQCLSA-N 1 3 331.420 -0.059 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883638436 584604104 /nfs/dbraw/zinc/60/41/04/584604104.db2.gz MJKSHFWQPKROKD-ZIAGYGMSSA-N 1 3 331.420 -0.074 20 0 EBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000884516890 584625619 /nfs/dbraw/zinc/62/56/19/584625619.db2.gz XKWRAGJYEPNXRI-HUUCEWRRSA-N 1 3 338.452 -0.304 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884587814 584628882 /nfs/dbraw/zinc/62/88/82/584628882.db2.gz RBVMLDPYTHYTQV-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884662543 584632329 /nfs/dbraw/zinc/63/23/29/584632329.db2.gz SFYKRBOPDQXTKR-KRWDZBQOSA-N 1 3 340.468 -0.327 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCN1c1ccncc1 ZINC000884690308 584634354 /nfs/dbraw/zinc/63/43/54/584634354.db2.gz UQJBLNOYEJTZPN-CYBMUJFWSA-N 1 3 331.420 -0.013 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884721583 584635731 /nfs/dbraw/zinc/63/57/31/584635731.db2.gz OMNHOEZYXODMQT-AWEZNQCLSA-N 1 3 349.435 -0.529 20 0 EBADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000884726620 584636581 /nfs/dbraw/zinc/63/65/81/584636581.db2.gz XWGOSZZXSORHHC-ZFWWWQNUSA-N 1 3 347.419 -0.777 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884884200 584640308 /nfs/dbraw/zinc/64/03/08/584640308.db2.gz YJNXLXGFAOSRRQ-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)C1 ZINC000885203869 584645858 /nfs/dbraw/zinc/64/58/58/584645858.db2.gz CLZHFBNXCJMXFU-CQSZACIVSA-N 1 3 339.484 -0.532 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885290884 584647496 /nfs/dbraw/zinc/64/74/96/584647496.db2.gz JIDJJRASRSBKFE-LLVKDONJSA-N 1 3 332.395 -0.100 20 0 EBADHO CCN(C(=O)C(=O)N(C)CCCN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068508 584674923 /nfs/dbraw/zinc/67/49/23/584674923.db2.gz MSANVOSLDVVYQH-OAHLLOKOSA-N 1 3 339.484 -0.707 20 0 EBADHO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000905018890 650060540 /nfs/dbraw/zinc/06/05/40/650060540.db2.gz ZJGLRWKVKULTOK-HNNXBMFYSA-N 1 3 338.452 -0.480 20 0 EBADHO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCNC[C@H]2COC)CC1 ZINC000905021456 650061253 /nfs/dbraw/zinc/06/12/53/650061253.db2.gz LKFDZUTUYJCCGF-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1(C)C ZINC000911096302 650151352 /nfs/dbraw/zinc/15/13/52/650151352.db2.gz JQVOCVJQSHUVLT-AWEZNQCLSA-N 1 3 339.484 -0.674 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911177812 650157190 /nfs/dbraw/zinc/15/71/90/650157190.db2.gz XCYOORKXIRSAMU-HZPDHXFCSA-N 1 3 348.447 -0.188 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911177812 650157192 /nfs/dbraw/zinc/15/71/92/650157192.db2.gz XCYOORKXIRSAMU-HZPDHXFCSA-N 1 3 348.447 -0.188 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[C@@H]1C[NH3+] ZINC000911198117 650159027 /nfs/dbraw/zinc/15/90/27/650159027.db2.gz GAPAHKFJSRQUPA-IOASZLSFSA-N 1 3 342.509 -0.017 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)C[NH+](C)C ZINC000911284912 650166707 /nfs/dbraw/zinc/16/67/07/650166707.db2.gz SONHIWZAKJWUAB-GJZGRUSLSA-N 1 3 336.436 -0.115 20 0 EBADHO CCN1CC[C@@H]1CNC(=O)CC(O)CC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000922159340 650329997 /nfs/dbraw/zinc/32/99/97/650329997.db2.gz PJLVOKQJQRSHOV-ZIAGYGMSSA-N 1 3 340.468 -0.452 20 0 EBADHO CCN1CC[C@@H]1CNC(=O)CC(O)CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000922159340 650330000 /nfs/dbraw/zinc/33/00/00/650330000.db2.gz PJLVOKQJQRSHOV-ZIAGYGMSSA-N 1 3 340.468 -0.452 20 0 EBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000923398753 650338707 /nfs/dbraw/zinc/33/87/07/650338707.db2.gz LUEUCMWDVOPQBI-ZNMIVQPWSA-N 1 3 335.408 -0.499 20 0 EBADHO COC[C@H](C)OC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416268 650339515 /nfs/dbraw/zinc/33/95/15/650339515.db2.gz VACQPBAIVGZNGY-LXFSFDBISA-N 1 3 343.424 -0.734 20 0 EBADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923645485 650350610 /nfs/dbraw/zinc/35/06/10/650350610.db2.gz HFTVSQCTCJHEPI-KBPBESRZSA-N 1 3 332.470 -0.645 20 0 EBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000926310349 650385511 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EBADHO CCO[C@@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929399887 651545939 /nfs/dbraw/zinc/54/59/39/651545939.db2.gz WURXCMOWFWLZOM-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@@H]2C(=O)NCC2(C)C)C1 ZINC000931667465 651642010 /nfs/dbraw/zinc/64/20/10/651642010.db2.gz KDTZEMICYJFHCH-DZGCQCFKSA-N 1 3 340.468 -0.426 20 0 EBADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN[C@@H]2C(=O)NCC2(C)C)C1 ZINC000931667465 651642013 /nfs/dbraw/zinc/64/20/13/651642013.db2.gz KDTZEMICYJFHCH-DZGCQCFKSA-N 1 3 340.468 -0.426 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NCCN1CCC(C)(C)C1)C[NH+](C)C ZINC000932463618 651681190 /nfs/dbraw/zinc/68/11/90/651681190.db2.gz HHCHFWZSSIYMSR-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000939209808 652858292 /nfs/dbraw/zinc/85/82/92/652858292.db2.gz JWBBOXYUJMBKNW-DGCLKSJQSA-N 1 3 333.392 -0.462 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000946927592 653273546 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DPDHURDEELELMN-LBPRGKRZSA-N 1 3 337.424 -0.787 20 0 EBADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019386112 728876432 /nfs/dbraw/zinc/87/64/32/728876432.db2.gz CQZNYUMDNYSPFT-AWEZNQCLSA-N 1 3 337.468 -0.066 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC000968989547 725139577 /nfs/dbraw/zinc/13/95/77/725139577.db2.gz IXPTVKYDPFDZCJ-CJNGLKHVSA-N 1 3 338.452 -0.088 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000969403717 725176797 /nfs/dbraw/zinc/17/67/97/725176797.db2.gz PIODVJUYXYOGJW-NDUQDZPOSA-N 1 3 345.447 -0.063 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC000969845245 725222365 /nfs/dbraw/zinc/22/23/65/725222365.db2.gz XDSQRGGIBRTAMN-TZMCWYRMSA-N 1 3 339.440 -0.685 20 0 EBADHO CC1(C)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O ZINC000996069481 726329310 /nfs/dbraw/zinc/32/93/10/726329310.db2.gz JNNDXACGCYLMJC-SBUZTJRASA-N 1 3 336.436 -0.839 20 0 EBADHO CC(C)(C(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749646 735370151 /nfs/dbraw/zinc/37/01/51/735370151.db2.gz HVAPOSOENOAMEO-KBPBESRZSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996998559 726434402 /nfs/dbraw/zinc/43/44/02/726434402.db2.gz KPBPDGGCQONTBG-TZMCWYRMSA-N 1 3 336.436 -0.144 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363082 726516436 /nfs/dbraw/zinc/51/64/36/726516436.db2.gz BYYUPAPHPMVOCQ-LSDHHAIUSA-N 1 3 337.468 -0.068 20 0 EBADHO C[NH+]1CCC(C(=O)NCc2cn([C@H]3CCN(CCO)C3)nn2)CC1 ZINC001000019785 726551055 /nfs/dbraw/zinc/55/10/55/726551055.db2.gz GJJFDGPIQFVGIC-HNNXBMFYSA-N 1 3 336.440 -0.525 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001000311034 726563567 /nfs/dbraw/zinc/56/35/67/726563567.db2.gz FPSMEJHRBHSHDY-NSHDSACASA-N 1 3 334.380 -0.915 20 0 EBADHO O=C(NCC1=CC[N@H+](CCCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001000972884 726585624 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343.431 -0.131 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178652 729091884 /nfs/dbraw/zinc/09/18/84/729091884.db2.gz ANKXNJKCSYTYBO-RGCMKSIDSA-N 1 3 334.424 -0.585 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178652 729091888 /nfs/dbraw/zinc/09/18/88/729091888.db2.gz ANKXNJKCSYTYBO-RGCMKSIDSA-N 1 3 334.424 -0.585 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001020508414 729188756 /nfs/dbraw/zinc/18/87/56/729188756.db2.gz YJNYNEOAWZGJFB-IHRRRGAJSA-N 1 3 336.440 -0.339 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020587775 729205171 /nfs/dbraw/zinc/20/51/71/729205171.db2.gz UGFDXWNAWZURBZ-JHJVBQTASA-N 1 3 337.424 -0.741 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001023750252 729792620 /nfs/dbraw/zinc/79/26/20/729792620.db2.gz IZEKJLOENXHRSN-LSDHHAIUSA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001023750252 729792621 /nfs/dbraw/zinc/79/26/21/729792621.db2.gz IZEKJLOENXHRSN-LSDHHAIUSA-N 1 3 337.468 -0.209 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787209 730088186 /nfs/dbraw/zinc/08/81/86/730088186.db2.gz ADHGTRCFPYBBGN-NJURLYQPSA-N 1 3 346.431 -0.820 20 0 EBADHO COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908381 730104855 /nfs/dbraw/zinc/10/48/55/730104855.db2.gz DSPMHCLWVUFWKO-KCZDAYQYSA-N 1 3 335.448 -0.069 20 0 EBADHO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908381 730104857 /nfs/dbraw/zinc/10/48/57/730104857.db2.gz DSPMHCLWVUFWKO-KCZDAYQYSA-N 1 3 335.448 -0.069 20 0 EBADHO CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908728 730105009 /nfs/dbraw/zinc/10/50/09/730105009.db2.gz WFASTDMUTWAGLB-HTRNMQKXSA-N 1 3 335.448 -0.069 20 0 EBADHO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908728 730105010 /nfs/dbraw/zinc/10/50/10/730105010.db2.gz WFASTDMUTWAGLB-HTRNMQKXSA-N 1 3 335.448 -0.069 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026367332 730140918 /nfs/dbraw/zinc/14/09/18/730140918.db2.gz SUZSRYINSJMBQC-AEGPPILISA-N 1 3 346.435 -0.196 20 0 EBADHO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029151903 730391645 /nfs/dbraw/zinc/39/16/45/730391645.db2.gz CIUWYPHCPXPVFL-FZMZJTMJSA-N 1 3 347.419 -0.026 20 0 EBADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029905944 730523471 /nfs/dbraw/zinc/52/34/71/730523471.db2.gz XZEWANYYEVPWOI-UONOGXRCSA-N 1 3 336.436 -0.332 20 0 EBADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029905944 730523473 /nfs/dbraw/zinc/52/34/73/730523473.db2.gz XZEWANYYEVPWOI-UONOGXRCSA-N 1 3 336.436 -0.332 20 0 EBADHO O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031857454 730781392 /nfs/dbraw/zinc/78/13/92/730781392.db2.gz VNIDIBVLPRIILX-QBPRILJRSA-N 1 3 335.448 -0.066 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001034957104 731168181 /nfs/dbraw/zinc/16/81/81/731168181.db2.gz JXZJUFKSBDJYGG-OLZOCXBDSA-N 1 3 336.436 -0.144 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001035063076 731181967 /nfs/dbraw/zinc/18/19/67/731181967.db2.gz OTLFQFIMTULNPI-TZMCWYRMSA-N 1 3 340.449 -0.033 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040356033 731710649 /nfs/dbraw/zinc/71/06/49/731710649.db2.gz FPIMFYVXYFOISU-QGZVFWFLSA-N 1 3 347.419 -0.872 20 0 EBADHO CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001040358263 731711737 /nfs/dbraw/zinc/71/17/37/731711737.db2.gz DYHWFKJVNCHNFN-XJKSGUPXSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040449984 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335.452 -0.363 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072477872 741411042 /nfs/dbraw/zinc/41/10/42/741411042.db2.gz CKCWCHSAPSSCKW-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001076805303 742580316 /nfs/dbraw/zinc/58/03/16/742580316.db2.gz AZRQDEUJVQGOSQ-RBSFLKMASA-N 1 3 338.452 -0.746 20 0 EBADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001076805303 742580320 /nfs/dbraw/zinc/58/03/20/742580320.db2.gz AZRQDEUJVQGOSQ-RBSFLKMASA-N 1 3 338.452 -0.746 20 0 EBADHO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001077495901 743020369 /nfs/dbraw/zinc/02/03/69/743020369.db2.gz VWNLPSULINQAOT-XJKSGUPXSA-N 1 3 342.484 -0.084 20 0 EBADHO C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001077495907 743020719 /nfs/dbraw/zinc/02/07/19/743020719.db2.gz VYKHBRYXHMAQHT-GJZGRUSLSA-N 1 3 342.484 -0.083 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCCO[C@@H](CN[C@H]3CCNC3=O)C2)CC1 ZINC001078460215 743660950 /nfs/dbraw/zinc/66/09/50/743660950.db2.gz NTVZAQSPMUTCQA-GJZGRUSLSA-N 1 3 338.452 -0.576 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCCO2)n[nH]1 ZINC001078508756 743684961 /nfs/dbraw/zinc/68/49/61/743684961.db2.gz XOLXEAIEORJASA-KBPBESRZSA-N 1 3 336.440 -0.228 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCCO2)n[nH]1 ZINC001078508756 743684964 /nfs/dbraw/zinc/68/49/64/743684964.db2.gz XOLXEAIEORJASA-KBPBESRZSA-N 1 3 336.440 -0.228 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201268 804212040 /nfs/dbraw/zinc/21/20/40/804212040.db2.gz FXGNQPMXJJYSQF-UYLCMAPUSA-N 1 3 331.420 -0.277 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000977201268 804212044 /nfs/dbraw/zinc/21/20/44/804212044.db2.gz FXGNQPMXJJYSQF-UYLCMAPUSA-N 1 3 331.420 -0.277 20 0 EBADHO COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552048 804859673 /nfs/dbraw/zinc/85/96/73/804859673.db2.gz FHEWDNMAGROJCX-UEIJKTBSSA-N 1 3 335.448 -0.210 20 0 EBADHO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552048 804859676 /nfs/dbraw/zinc/85/96/76/804859676.db2.gz FHEWDNMAGROJCX-UEIJKTBSSA-N 1 3 335.448 -0.210 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)CN1CCCC1 ZINC000987525593 807953378 /nfs/dbraw/zinc/95/33/78/807953378.db2.gz PFHNJGRLLILQJC-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421454 810327033 /nfs/dbraw/zinc/32/70/33/810327033.db2.gz FGCVCBXRCOPXMX-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001215539957 810334529 /nfs/dbraw/zinc/33/45/29/810334529.db2.gz FHPQDDIDMHHAMN-MGPQQGTHSA-N 1 3 346.497 -0.686 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216001621 810354515 /nfs/dbraw/zinc/35/45/15/810354515.db2.gz GGBLOKYOGAHATL-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001216503653 810375269 /nfs/dbraw/zinc/37/52/69/810375269.db2.gz UDZOPDPYONHAST-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754095 810386040 /nfs/dbraw/zinc/38/60/40/810386040.db2.gz HGWJUWAXQBKUSJ-QLFBSQMISA-N 1 3 340.468 -0.473 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754095 810386045 /nfs/dbraw/zinc/38/60/45/810386045.db2.gz HGWJUWAXQBKUSJ-QLFBSQMISA-N 1 3 340.468 -0.473 20 0 EBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2ncnn3c(Br)ccc23)C1 ZINC001218566881 810504103 /nfs/dbraw/zinc/50/41/03/810504103.db2.gz MJOSKBYYFAMAQO-RQJHMYQMSA-N 1 3 325.170 -0.459 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566396 810504339 /nfs/dbraw/zinc/50/43/39/810504339.db2.gz HGUQWLWEZFPWMN-SSDOTTSWSA-N 1 3 327.186 -0.082 20 0 EBADHO Cc1nc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC001218619405 810511671 /nfs/dbraw/zinc/51/16/71/810511671.db2.gz GXUVRHVNIBUYBR-HNNXBMFYSA-N 1 3 334.424 -0.113 20 0 EBADHO CN(C)c1nc(NC(=O)[C@@H](N)CSCC[NH3+])c(N=O)c(=O)[n-]1 ZINC001218662437 810517802 /nfs/dbraw/zinc/51/78/02/810517802.db2.gz FRYRBEVVAOCNLN-LURJTMIESA-N 1 3 329.386 -0.396 20 0 EBADHO CN(C)c1nc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(N=O)c(=O)[n-]1 ZINC001218662437 810517807 /nfs/dbraw/zinc/51/78/07/810517807.db2.gz FRYRBEVVAOCNLN-LURJTMIESA-N 1 3 329.386 -0.396 20 0 EBADHO Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218661537 810518427 /nfs/dbraw/zinc/51/84/27/810518427.db2.gz OFQXLKUSFNDTRA-IAQYHMDHSA-N 1 3 338.433 -0.069 20 0 EBADHO COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218883937 810540511 /nfs/dbraw/zinc/54/05/11/810540511.db2.gz ZKCAXAYLFHURHQ-SNVBAGLBSA-N 1 3 335.360 -0.065 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001219022332 810555487 /nfs/dbraw/zinc/55/54/87/810555487.db2.gz GDUSGUMKJAABQJ-FZMZJTMJSA-N 1 3 349.435 -0.563 20 0 EBADHO CCOC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219693092 810799680 /nfs/dbraw/zinc/79/96/80/810799680.db2.gz NCFMFSUWEXZJOW-STQMWFEESA-N 1 3 342.440 -0.497 20 0 EBADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219703872 810802450 /nfs/dbraw/zinc/80/24/50/810802450.db2.gz RVSZKVWQOBGWPY-OAHLLOKOSA-N 1 3 349.456 -0.275 20 0 EBADHO COC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793398 810843419 /nfs/dbraw/zinc/84/34/19/810843419.db2.gz FPKQRNLMKWQYEY-AWEZNQCLSA-N 1 3 326.441 -0.401 20 0 EBADHO NCC(=O)N1CCC[C@H]1C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796174 810845518 /nfs/dbraw/zinc/84/55/18/810845518.db2.gz PABNYSXESQOTML-HNNXBMFYSA-N 1 3 337.468 -0.731 20 0 EBADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc2c(n1)CCNC2 ZINC001219843843 810875558 /nfs/dbraw/zinc/87/55/58/810875558.db2.gz DPTAALXWLGXADW-FZKQIMNGSA-N 1 3 346.431 -0.148 20 0 EBADHO COc1ncnc(OC)c1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220045202 810958740 /nfs/dbraw/zinc/95/87/40/810958740.db2.gz PUOVNEGSEYCDRV-LBPRGKRZSA-N 1 3 335.408 -0.016 20 0 EBADHO COc1ncnc(OC)c1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220045202 810958745 /nfs/dbraw/zinc/95/87/45/810958745.db2.gz PUOVNEGSEYCDRV-LBPRGKRZSA-N 1 3 335.408 -0.016 20 0 EBADHO CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@H]2C[NH2+]C[C@@H]2N)c1 ZINC001220120820 810990972 /nfs/dbraw/zinc/99/09/72/810990972.db2.gz QXAMIGMSTZKFQD-RYUDHWBXSA-N 1 3 333.392 -0.055 20 0 EBADHO O=C(N[C@@H]1COCCC12OCCO2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220172791 811005672 /nfs/dbraw/zinc/00/56/72/811005672.db2.gz BQFOAVSADVUKNX-CHWSQXEVSA-N 1 3 325.409 -0.491 20 0 EBADHO O=C(N[C@@H]1COCCC12OCCO2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220172791 811005680 /nfs/dbraw/zinc/00/56/80/811005680.db2.gz BQFOAVSADVUKNX-CHWSQXEVSA-N 1 3 325.409 -0.491 20 0 EBADHO CCC1(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])COC1 ZINC001220170656 811005750 /nfs/dbraw/zinc/00/57/50/811005750.db2.gz QYVTZKCZULSEGG-KBPBESRZSA-N 1 3 340.468 -0.024 20 0 EBADHO CCOC(=O)CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)COC1 ZINC001220214985 811018308 /nfs/dbraw/zinc/01/83/08/811018308.db2.gz IILWLUASEIXVJH-GFCCVEGCSA-N 1 3 325.409 -0.301 20 0 EBADHO CCOC(=O)CC1(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)COC1 ZINC001220214985 811018315 /nfs/dbraw/zinc/01/83/15/811018315.db2.gz IILWLUASEIXVJH-GFCCVEGCSA-N 1 3 325.409 -0.301 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036192643 811117942 /nfs/dbraw/zinc/11/79/42/811117942.db2.gz IMGGYQJOEITLPX-TZMCWYRMSA-N 1 3 347.419 -0.072 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001036209611 811119641 /nfs/dbraw/zinc/11/96/41/811119641.db2.gz YMYRIUDVRBPTFO-DZGCQCFKSA-N 1 3 349.435 -0.362 20 0 EBADHO NC(=O)c1ccccc1OCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220718698 811217324 /nfs/dbraw/zinc/21/73/24/811217324.db2.gz GOKZJXSZIWXSMS-SJKOYZFVSA-N 1 3 332.404 -0.520 20 0 EBADHO O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COC2(CNC2)CN1 ZINC001220743909 811224633 /nfs/dbraw/zinc/22/46/33/811224633.db2.gz VEHFSSDMDPSDBS-HNNXBMFYSA-N 1 3 331.420 -0.503 20 0 EBADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3CCS(=O)(=O)C34CNC4)(C1)CCC2 ZINC001220777228 811238150 /nfs/dbraw/zinc/23/81/50/811238150.db2.gz JFSCXSXQBQSHTP-FPMFFAJLSA-N 1 3 327.450 -0.317 20 0 EBADHO N[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1Cc2ccccc2C1 ZINC001220900482 811287155 /nfs/dbraw/zinc/28/71/55/811287155.db2.gz KVFDPZWMIBUCNN-AWEZNQCLSA-N 1 3 336.396 -0.607 20 0 EBADHO N[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1)C1CC[NH2+]CC1 ZINC001220921095 811294926 /nfs/dbraw/zinc/29/49/26/811294926.db2.gz ZPFGQGUSRROFLF-HUUCEWRRSA-N 1 3 331.420 -0.261 20 0 EBADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221257025 811427475 /nfs/dbraw/zinc/42/74/75/811427475.db2.gz VJVMOCSRMVRSPH-KBPBESRZSA-N 1 3 337.424 -0.663 20 0 EBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221398360 811450456 /nfs/dbraw/zinc/45/04/56/811450456.db2.gz YHPVCODWLGDBDB-JKSUJKDBSA-N 1 3 342.443 -0.067 20 0 EBADHO O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221408311 811452872 /nfs/dbraw/zinc/45/28/72/811452872.db2.gz IHXCJQCREAPIMD-CHWSQXEVSA-N 1 3 327.450 -0.733 20 0 EBADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772749 811531676 /nfs/dbraw/zinc/53/16/76/811531676.db2.gz LFBRCRXDRSZJDM-RBSFLKMASA-N 1 3 325.453 -0.132 20 0 EBADHO CCOC(=O)[C@H]1CNCCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001222080324 811593177 /nfs/dbraw/zinc/59/31/77/811593177.db2.gz JGIHYSKNJXYAFL-OAHLLOKOSA-N 1 3 334.420 -0.288 20 0 EBADHO c1cc(N2CC[NH2+]CC2)ncc1CN1CCOC[C@]2(CNCCO2)C1 ZINC001222190447 811608725 /nfs/dbraw/zinc/60/87/25/811608725.db2.gz BOEOALBSUSPAGQ-SFHVURJKSA-N 1 3 347.463 -0.318 20 0 EBADHO CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080138143 811911942 /nfs/dbraw/zinc/91/19/42/811911942.db2.gz AGBYQCXOWSJJRX-UHFFFAOYSA-N 1 3 342.484 -0.036 20 0 EBADHO CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080138939 811913152 /nfs/dbraw/zinc/91/31/52/811913152.db2.gz UKTJNTBJKHVOQV-HNNXBMFYSA-N 1 3 340.468 -0.282 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001227408055 811920436 /nfs/dbraw/zinc/92/04/36/811920436.db2.gz DUTGLKZRJVDXPI-INIZCTEOSA-N 1 3 325.453 -0.082 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC1 ZINC001228238649 811971485 /nfs/dbraw/zinc/97/14/85/811971485.db2.gz IMZFJQJNTUTANT-VXGBXAGGSA-N 1 3 339.440 -0.460 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228603769 811990884 /nfs/dbraw/zinc/99/08/84/811990884.db2.gz UVCDHQSJFKSGDJ-JHJVBQTASA-N 1 3 339.440 -0.460 20 0 EBADHO CCN(CC)CC(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001229678918 812048692 /nfs/dbraw/zinc/04/86/92/812048692.db2.gz NMSFOLMHAYXWGF-MRXNPFEDSA-N 1 3 345.484 -0.067 20 0 EBADHO CCCN(C)CC(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC001230113023 812077036 /nfs/dbraw/zinc/07/70/36/812077036.db2.gz NIBQNDRGORLMFM-INIZCTEOSA-N 1 3 345.484 -0.067 20 0 EBADHO Cn1cc(CN2CCC([NH+]3CCN(C)CC3)CC2)c(=O)n(C)c1=O ZINC001231769341 812306895 /nfs/dbraw/zinc/30/68/95/812306895.db2.gz OJOUPLNDATYONC-UHFFFAOYSA-N 1 3 335.452 -0.704 20 0 EBADHO O=C(C1CCN(Cc2cnc3n2CC[NH2+]CC3)CC1)N1CCNCC1 ZINC001235301775 812480166 /nfs/dbraw/zinc/48/01/66/812480166.db2.gz ZVXVYHKFHOAQBK-UHFFFAOYSA-N 1 3 346.479 -0.327 20 0 EBADHO COC(=O)C1C[C@@H]2CC(NCc3nnn4c3CNCCC4)C[C@H](C1)[NH2+]2 ZINC001246134091 812566331 /nfs/dbraw/zinc/56/63/31/812566331.db2.gz PAQSDWNFMNFGDZ-LLZFXZEUSA-N 1 3 348.451 -0.067 20 0 EBADHO COC(=O)[C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246594043 812576220 /nfs/dbraw/zinc/57/62/20/812576220.db2.gz IVZOEYGALFGIKW-BTTYYORXSA-N 1 3 339.436 -0.245 20 0 EBADHO CCOC(=O)[C@H]1CN([C@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009131 812596082 /nfs/dbraw/zinc/59/60/82/812596082.db2.gz OKVBOZCVTCIRHU-MJBXVCDLSA-N 1 3 339.436 -0.245 20 0 EBADHO COC(=O)[C@@H](C[NH3+])CN[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257720435 812769819 /nfs/dbraw/zinc/76/98/19/812769819.db2.gz GTFYYKVJFNYLPQ-IRCOFANPSA-N 1 3 330.381 -0.545 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001263849670 813127595 /nfs/dbraw/zinc/12/75/95/813127595.db2.gz SIJOQHAOJXQMNM-TXEJJXNPSA-N 1 3 348.407 -0.703 20 0 EBADHO CN(CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O)C1CCC1 ZINC001081564022 813189438 /nfs/dbraw/zinc/18/94/38/813189438.db2.gz FKWBGMNTEHYMSO-DZGCQCFKSA-N 1 3 340.468 -0.642 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265448499 813326381 /nfs/dbraw/zinc/32/63/81/813326381.db2.gz ZJMGCCQFEQRAMK-NSHDSACASA-N 1 3 334.380 -0.915 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001265636550 813352987 /nfs/dbraw/zinc/35/29/87/813352987.db2.gz LHNUWANMJOEABC-KGLIPLIRSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001265852647 813386643 /nfs/dbraw/zinc/38/66/43/813386643.db2.gz GWQTXAVJSGGRTL-WCQYABFASA-N 1 3 327.429 -0.781 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700759 813438759 /nfs/dbraw/zinc/43/87/59/813438759.db2.gz LAYKAGUSJSKNPA-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081701564 813440623 /nfs/dbraw/zinc/44/06/23/813440623.db2.gz XHFPEFNKYYEMEO-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266204880 813478589 /nfs/dbraw/zinc/47/85/89/813478589.db2.gz ZMZCETGZXJIWMI-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001266204880 813478595 /nfs/dbraw/zinc/47/85/95/813478595.db2.gz ZMZCETGZXJIWMI-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CN(CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001081736015 813494441 /nfs/dbraw/zinc/49/44/41/813494441.db2.gz SAUPNUXZWJXEEI-ZFWWWQNUSA-N 1 3 340.468 -0.642 20 0 EBADHO COCCOC[C@H](O)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353115 813545577 /nfs/dbraw/zinc/54/55/77/813545577.db2.gz ONLIYGYIMBADGD-LSDHHAIUSA-N 1 3 341.452 -0.703 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741556 813657816 /nfs/dbraw/zinc/65/78/16/813657816.db2.gz YIGOBBGIXWXDJJ-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741556 813657820 /nfs/dbraw/zinc/65/78/20/813657820.db2.gz YIGOBBGIXWXDJJ-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266741557 813658244 /nfs/dbraw/zinc/65/82/44/813658244.db2.gz YIGOBBGIXWXDJJ-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNS(C)(=O)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266741557 813658251 /nfs/dbraw/zinc/65/82/51/813658251.db2.gz YIGOBBGIXWXDJJ-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267025186 813738470 /nfs/dbraw/zinc/73/84/70/813738470.db2.gz MEEULTOCHJIJOZ-OLZOCXBDSA-N 1 3 332.470 -0.932 20 0 EBADHO CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267025186 813738474 /nfs/dbraw/zinc/73/84/74/813738474.db2.gz MEEULTOCHJIJOZ-OLZOCXBDSA-N 1 3 332.470 -0.932 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110670 813761606 /nfs/dbraw/zinc/76/16/06/813761606.db2.gz HAXFLQXDONERMU-CYBMUJFWSA-N 1 3 339.440 -0.587 20 0 EBADHO CNC(=O)NC(=O)CN1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001267175416 813778691 /nfs/dbraw/zinc/77/86/91/813778691.db2.gz VDEXPRSSSNIDTE-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456562 813902470 /nfs/dbraw/zinc/90/24/70/813902470.db2.gz BDJLGHIJEXWHRI-AWEZNQCLSA-N 1 3 338.452 -0.717 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082557599 813967412 /nfs/dbraw/zinc/96/74/12/813967412.db2.gz RYSBBKPKBSOHTM-FRRDWIJNSA-N 1 3 336.436 -0.288 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082742946 814003165 /nfs/dbraw/zinc/00/31/65/814003165.db2.gz XYZHBVCQHHUJMX-RBSFLKMASA-N 1 3 337.468 -0.210 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001082748476 814004214 /nfs/dbraw/zinc/00/42/14/814004214.db2.gz NOCICXURBYJDST-MCIONIFRSA-N 1 3 325.457 -0.212 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152345 814135247 /nfs/dbraw/zinc/13/52/47/814135247.db2.gz XHKBYSVFBXSJPZ-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152347 814135851 /nfs/dbraw/zinc/13/58/51/814135851.db2.gz XHKBYSVFBXSJPZ-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO O=C(NCC1C[NH+](CCOCCO)C1)c1ccn(-c2ccncc2)n1 ZINC001268854892 814415706 /nfs/dbraw/zinc/41/57/06/814415706.db2.gz WSLPTNWAMQHHCT-UHFFFAOYSA-N 1 3 345.403 -0.062 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001268920834 814442858 /nfs/dbraw/zinc/44/28/58/814442858.db2.gz XRULPPWJBKIWAI-OLZOCXBDSA-N 1 3 343.472 -0.145 20 0 EBADHO CCOCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001270021806 815664197 /nfs/dbraw/zinc/66/41/97/815664197.db2.gz INVHLLSEKLNVHL-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270418972 815772375 /nfs/dbraw/zinc/77/23/75/815772375.db2.gz FBEGZHMTRGFJMC-CYBMUJFWSA-N 1 3 338.452 -0.038 20 0 EBADHO CN1CCC(O)(C(=O)N2CCC3(CN(CC[NH+](C)C)C3)CC2)CC1 ZINC001271803264 816216206 /nfs/dbraw/zinc/21/62/06/816216206.db2.gz AEUPARVHRZAYAC-UHFFFAOYSA-N 1 3 338.496 -0.071 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)C1CC1 ZINC001086982547 816433841 /nfs/dbraw/zinc/43/38/41/816433841.db2.gz PQOLPKHUSDHTFI-ARFHVFGLSA-N 1 3 335.452 -0.363 20 0 EBADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCN(C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272556112 816472756 /nfs/dbraw/zinc/47/27/56/816472756.db2.gz VVRVWEHCZJXTDO-PBHICJAKSA-N 1 3 337.468 -0.955 20 0 EBADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCN(C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272556112 816472761 /nfs/dbraw/zinc/47/27/61/816472761.db2.gz VVRVWEHCZJXTDO-PBHICJAKSA-N 1 3 337.468 -0.955 20 0 EBADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](O)C1)C2 ZINC001273068668 816577903 /nfs/dbraw/zinc/57/79/03/816577903.db2.gz BABJQEKPGZGFQT-FUHWJXTLSA-N 1 3 338.496 -0.071 20 0 EBADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@H]3COCCO3)C2)OCC1=O ZINC001273773093 816756458 /nfs/dbraw/zinc/75/64/58/816756458.db2.gz BVBVEMJHRYTKMD-GOEBONIOSA-N 1 3 327.425 -0.733 20 0 EBADHO CN(C)CCN1CC2(CN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001273863278 816788750 /nfs/dbraw/zinc/78/87/50/816788750.db2.gz GWEYECFEDUQEKW-CQSZACIVSA-N 1 3 342.484 -0.790 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910742 816806877 /nfs/dbraw/zinc/80/68/77/816806877.db2.gz KNTLFIRGGINJRK-DOTOQJQBSA-N 1 3 343.468 -0.720 20 0 EBADHO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892444 816935015 /nfs/dbraw/zinc/93/50/15/816935015.db2.gz JPMHOAXPJKAKGA-YJNKXOJESA-N 1 3 332.448 -0.264 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969486 816957129 /nfs/dbraw/zinc/95/71/29/816957129.db2.gz UFEQQYXYVNIWGO-LSDHHAIUSA-N 1 3 325.453 -0.082 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969486 816957136 /nfs/dbraw/zinc/95/71/36/816957136.db2.gz UFEQQYXYVNIWGO-LSDHHAIUSA-N 1 3 325.453 -0.082 20 0 EBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471531 816974770 /nfs/dbraw/zinc/97/47/70/816974770.db2.gz IAQNBOPCPLKLMN-ZFDPJTLLSA-N 1 3 326.441 -0.506 20 0 EBADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001274566104 817011640 /nfs/dbraw/zinc/01/16/40/817011640.db2.gz VLOOWTYEGAFVRQ-KSSFIOAISA-N 1 3 333.432 -0.109 20 0 EBADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274566104 817011648 /nfs/dbraw/zinc/01/16/48/817011648.db2.gz VLOOWTYEGAFVRQ-KSSFIOAISA-N 1 3 333.432 -0.109 20 0 EBADHO COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001274980189 817136265 /nfs/dbraw/zinc/13/62/65/817136265.db2.gz GSPHLNCPJMRDRM-ZIAGYGMSSA-N 1 3 338.452 -0.767 20 0 EBADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001274980189 817136268 /nfs/dbraw/zinc/13/62/68/817136268.db2.gz GSPHLNCPJMRDRM-ZIAGYGMSSA-N 1 3 338.452 -0.767 20 0 EBADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001274980189 817136272 /nfs/dbraw/zinc/13/62/72/817136272.db2.gz GSPHLNCPJMRDRM-ZIAGYGMSSA-N 1 3 338.452 -0.767 20 0 EBADHO C[NH+]1CCC(CN2CC3(C2)CN(C(=O)Cn2cccnc2=O)C3)CC1 ZINC001276689039 817452884 /nfs/dbraw/zinc/45/28/84/817452884.db2.gz ZDQATAZUMLZGAC-UHFFFAOYSA-N 1 3 345.447 -0.271 20 0 EBADHO C[NH+](C)CCN1CC2(C1)CN(CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001276714134 817459189 /nfs/dbraw/zinc/45/91/89/817459189.db2.gz XBUXWPGLCVPQLA-UHFFFAOYSA-N 1 3 344.525 -0.163 20 0 EBADHO CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001277824113 817641377 /nfs/dbraw/zinc/64/13/77/817641377.db2.gz TWHBESDYWIQCER-CVEARBPZSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001277994925 817671174 /nfs/dbraw/zinc/67/11/74/817671174.db2.gz KYTGEQNURWXOQW-QWHCGFSZSA-N 1 3 326.441 -0.040 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001277994925 817671178 /nfs/dbraw/zinc/67/11/78/817671178.db2.gz KYTGEQNURWXOQW-QWHCGFSZSA-N 1 3 326.441 -0.040 20 0 EBADHO C[C@@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416511 817758806 /nfs/dbraw/zinc/75/88/06/817758806.db2.gz NOFNRQCUCGLXRZ-CHWSQXEVSA-N 1 3 344.481 -0.790 20 0 EBADHO C[NH+](C)CCCCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001278684993 817793982 /nfs/dbraw/zinc/79/39/82/817793982.db2.gz PPNJAEKJKYWGDP-GFCCVEGCSA-N 1 3 341.456 -0.260 20 0 EBADHO CN(CCOCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001279393884 817924246 /nfs/dbraw/zinc/92/42/46/817924246.db2.gz XHGKDEYRMUUHHT-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(C[C@@H]3CCOC3)C2)nn1 ZINC001094279077 818200196 /nfs/dbraw/zinc/20/01/96/818200196.db2.gz WRMZZEBDYLHRHI-BBRMVZONSA-N 1 3 348.451 -0.118 20 0 EBADHO C[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(C[C@@H]3CCOC3)C2)nn1 ZINC001094279077 818200201 /nfs/dbraw/zinc/20/02/01/818200201.db2.gz WRMZZEBDYLHRHI-BBRMVZONSA-N 1 3 348.451 -0.118 20 0 EBADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001281518582 818208081 /nfs/dbraw/zinc/20/80/81/818208081.db2.gz ROEHSUKGINSDEI-ZDUSSCGKSA-N 1 3 348.513 -0.154 20 0 EBADHO CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927697 818534051 /nfs/dbraw/zinc/53/40/51/818534051.db2.gz HCMLMMGVDKZUCH-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001283938795 819036282 /nfs/dbraw/zinc/03/62/82/819036282.db2.gz JZJPCRVSOWDUSN-ZBFHGGJFSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1)N(C)C ZINC001098479837 819209451 /nfs/dbraw/zinc/20/94/51/819209451.db2.gz BQWYOVCICRKZGX-HOTGVXAUSA-N 1 3 345.484 -0.381 20 0 EBADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)C[C@H](O)COC)CC1)N(C)C ZINC001098479837 819209473 /nfs/dbraw/zinc/20/94/73/819209473.db2.gz BQWYOVCICRKZGX-HOTGVXAUSA-N 1 3 345.484 -0.381 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971930 819975193 /nfs/dbraw/zinc/97/51/93/819975193.db2.gz OFWUTUJVOQAELB-JKSUJKDBSA-N 1 3 349.479 -0.144 20 0 EBADHO CCCCOCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074671 820165623 /nfs/dbraw/zinc/16/56/23/820165623.db2.gz QXFWQWUTSPPYLT-CVEARBPZSA-N 1 3 345.484 -0.067 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100319203 820355310 /nfs/dbraw/zinc/35/53/10/820355310.db2.gz BJNCAVOHBNHOLA-WXRRBKDZSA-N 1 3 339.440 -0.462 20 0 EBADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001100405706 820405705 /nfs/dbraw/zinc/40/57/05/820405705.db2.gz JVAYDZZAWDETOO-BPCQOVAHSA-N 1 3 336.436 -0.240 20 0 EBADHO CN(CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC001100410838 820408296 /nfs/dbraw/zinc/40/82/96/820408296.db2.gz PKXHFBFEXOCCTK-UHFFFAOYSA-N 1 3 337.468 -0.020 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100770901 820546800 /nfs/dbraw/zinc/54/68/00/820546800.db2.gz PGRYFKXFVDFUBC-UHFFFAOYSA-N 1 3 339.440 -0.636 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100769566 820546872 /nfs/dbraw/zinc/54/68/72/820546872.db2.gz PYHBQPFXDGFVQD-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100904712 820595831 /nfs/dbraw/zinc/59/58/31/820595831.db2.gz CPPRNJCSYOKWLS-UNXYVOJBSA-N 1 3 327.429 -0.604 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](N(C)C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001293683643 820809308 /nfs/dbraw/zinc/80/93/08/820809308.db2.gz BGUWIWVZBUWXHJ-HUUCEWRRSA-N 1 3 342.484 -0.036 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294758148 820990599 /nfs/dbraw/zinc/99/05/99/820990599.db2.gz MKNFOAMHUMLWJM-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102600474 821170350 /nfs/dbraw/zinc/17/03/50/821170350.db2.gz HFBKCGZVXDSIAA-MGPQQGTHSA-N 1 3 338.452 -0.184 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102600474 821170359 /nfs/dbraw/zinc/17/03/59/821170359.db2.gz HFBKCGZVXDSIAA-MGPQQGTHSA-N 1 3 338.452 -0.184 20 0 EBADHO C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001103250030 821279115 /nfs/dbraw/zinc/27/91/15/821279115.db2.gz YQFZKEDGGLKDOD-MYPHYYIGSA-N 1 3 337.464 -0.084 20 0 EBADHO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001103250030 821279118 /nfs/dbraw/zinc/27/91/18/821279118.db2.gz YQFZKEDGGLKDOD-MYPHYYIGSA-N 1 3 337.464 -0.084 20 0 EBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103550376 821324325 /nfs/dbraw/zinc/32/43/25/821324325.db2.gz MPRCNVPVSKLJSL-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103550376 821324330 /nfs/dbraw/zinc/32/43/30/821324330.db2.gz MPRCNVPVSKLJSL-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105064309 821576474 /nfs/dbraw/zinc/57/64/74/821576474.db2.gz IWUPWOAHTKELBT-CHWSQXEVSA-N 1 3 341.456 -0.404 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001317295535 822071852 /nfs/dbraw/zinc/07/18/52/822071852.db2.gz ZVPIOMYVAKNTEM-LBPRGKRZSA-N 1 3 341.456 -0.249 20 0 EBADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CCN1C(=O)CCC1=O ZINC001317487285 822129552 /nfs/dbraw/zinc/12/95/52/822129552.db2.gz JLUWHUFKFNPMNK-AWEZNQCLSA-N 1 3 338.452 -0.085 20 0 EBADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)CCN1C(=O)CCC1=O ZINC001317487285 822129558 /nfs/dbraw/zinc/12/95/58/822129558.db2.gz JLUWHUFKFNPMNK-AWEZNQCLSA-N 1 3 338.452 -0.085 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106312348 822245206 /nfs/dbraw/zinc/24/52/06/822245206.db2.gz CXOFSJWPSWTHDX-MGPQQGTHSA-N 1 3 348.513 -0.440 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC(N)=O ZINC001106455333 822272650 /nfs/dbraw/zinc/27/26/50/822272650.db2.gz NNRSKOSULOZNEL-LZLPTKFFSA-N 1 3 336.436 -0.981 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001128774159 828524404 /nfs/dbraw/zinc/52/44/04/828524404.db2.gz NCQMPMOHRWUUMS-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001128774159 828524410 /nfs/dbraw/zinc/52/44/10/828524410.db2.gz NCQMPMOHRWUUMS-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001128774227 828524555 /nfs/dbraw/zinc/52/45/55/828524555.db2.gz PLUKMFOWDSPVOC-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001128774227 828524557 /nfs/dbraw/zinc/52/45/57/828524557.db2.gz PLUKMFOWDSPVOC-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001128773801 828524696 /nfs/dbraw/zinc/52/46/96/828524696.db2.gz DYEBEICPXDXRHE-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001128773801 828524701 /nfs/dbraw/zinc/52/47/01/828524701.db2.gz DYEBEICPXDXRHE-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001128784938 828526636 /nfs/dbraw/zinc/52/66/36/828526636.db2.gz PHIZTZJNMAKZQW-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001128784938 828526640 /nfs/dbraw/zinc/52/66/40/828526640.db2.gz PHIZTZJNMAKZQW-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341450 828601620 /nfs/dbraw/zinc/60/16/20/828601620.db2.gz VCVBSJOYLGIEJK-CYBMUJFWSA-N 1 3 341.456 -0.484 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341450 828601621 /nfs/dbraw/zinc/60/16/21/828601621.db2.gz VCVBSJOYLGIEJK-CYBMUJFWSA-N 1 3 341.456 -0.484 20 0 EBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356058 828603733 /nfs/dbraw/zinc/60/37/33/828603733.db2.gz AWCPCHPDEZOLQQ-UONOGXRCSA-N 1 3 331.457 -0.411 20 0 EBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356060 828604812 /nfs/dbraw/zinc/60/48/12/828604812.db2.gz AWCPCHPDEZOLQQ-ZIAGYGMSSA-N 1 3 331.457 -0.411 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CCC1 ZINC001129358760 828604831 /nfs/dbraw/zinc/60/48/31/828604831.db2.gz WYFDJCBCWQLIEB-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129385122 828610106 /nfs/dbraw/zinc/61/01/06/828610106.db2.gz IZGXFBVUZMKHET-CABCVRRESA-N 1 3 336.440 -0.392 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001129435497 828618358 /nfs/dbraw/zinc/61/83/58/828618358.db2.gz GYJXGYFGLHKNQJ-DZGCQCFKSA-N 1 3 326.441 -0.984 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC(=O)NC1CC1)C1CC1 ZINC001129436475 828618992 /nfs/dbraw/zinc/61/89/92/828618992.db2.gz PLMQUYKUKSNNOX-ZDUSSCGKSA-N 1 3 325.413 -0.979 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444846 828619760 /nfs/dbraw/zinc/61/97/60/828619760.db2.gz ZBHFSYMACYYTCF-GXTWGEPZSA-N 1 3 346.497 -0.686 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535094 828632237 /nfs/dbraw/zinc/63/22/37/828632237.db2.gz IZUXWWCMUFHLTR-GFCCVEGCSA-N 1 3 341.456 -0.201 20 0 EBADHO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768829 824433997 /nfs/dbraw/zinc/43/39/97/824433997.db2.gz HPRJVQRXIKPPLA-NHCYSSNCSA-N 1 3 334.380 -0.884 20 0 EBADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854889 828681398 /nfs/dbraw/zinc/68/13/98/828681398.db2.gz BZYKMWIAVXBRTB-TUVASFSCSA-N 1 3 336.440 -0.394 20 0 EBADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854889 828681400 /nfs/dbraw/zinc/68/14/00/828681400.db2.gz BZYKMWIAVXBRTB-TUVASFSCSA-N 1 3 336.440 -0.394 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001129856569 828682669 /nfs/dbraw/zinc/68/26/69/828682669.db2.gz UMCMTDQDLWSQRX-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001129856569 828682670 /nfs/dbraw/zinc/68/26/70/828682670.db2.gz UMCMTDQDLWSQRX-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001129950185 828699508 /nfs/dbraw/zinc/69/95/08/828699508.db2.gz NZXQBQNEEUMOSD-ZFWWWQNUSA-N 1 3 328.457 -0.474 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188984 828751709 /nfs/dbraw/zinc/75/17/09/828751709.db2.gz LFHKIYMTKKBTQC-OLZOCXBDSA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188984 828751710 /nfs/dbraw/zinc/75/17/10/828751710.db2.gz LFHKIYMTKKBTQC-OLZOCXBDSA-N 1 3 332.470 -0.742 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001130426987 828832187 /nfs/dbraw/zinc/83/21/87/828832187.db2.gz FTKOZORVDDLEEL-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179744576 833006332 /nfs/dbraw/zinc/00/63/32/833006332.db2.gz WSUMEODGNSSQCI-WOPDTQHZSA-N 1 3 327.429 -0.509 20 0 EBADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001114404693 826235703 /nfs/dbraw/zinc/23/57/03/826235703.db2.gz FXLUFMHZKLNQHZ-OSRSDYAFSA-N 1 3 348.447 -0.478 20 0 EBADHO C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)C1CC1 ZINC001114410369 826236999 /nfs/dbraw/zinc/23/69/99/826236999.db2.gz URZVVUFDBOBEQS-YJNKXOJESA-N 1 3 335.452 -0.602 20 0 EBADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179934192 833027746 /nfs/dbraw/zinc/02/77/46/833027746.db2.gz VJTSRYSLALBBAC-KBPBESRZSA-N 1 3 328.457 -0.332 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001179976856 833031104 /nfs/dbraw/zinc/03/11/04/833031104.db2.gz ZVZZSAFCFNOSKR-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001179976856 833031114 /nfs/dbraw/zinc/03/11/14/833031114.db2.gz ZVZZSAFCFNOSKR-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001180204661 833055289 /nfs/dbraw/zinc/05/52/89/833055289.db2.gz YEJKVPLTYLOCEU-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001180226649 833059733 /nfs/dbraw/zinc/05/97/33/833059733.db2.gz FCKNXORHGPTTNN-STQMWFEESA-N 1 3 339.440 -0.543 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115300323 826502377 /nfs/dbraw/zinc/50/23/77/826502377.db2.gz PPAICBNEZRZFMC-XUWVNRHRSA-N 1 3 325.453 -0.084 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115300323 826502381 /nfs/dbraw/zinc/50/23/81/826502381.db2.gz PPAICBNEZRZFMC-XUWVNRHRSA-N 1 3 325.453 -0.084 20 0 EBADHO CC[C@]1(O)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001117858686 826812219 /nfs/dbraw/zinc/81/22/19/826812219.db2.gz PQCSXBKQKDCGPR-INIZCTEOSA-N 1 3 328.457 -0.688 20 0 EBADHO CN1CCN(C[C@@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)CC1 ZINC001118149644 826860502 /nfs/dbraw/zinc/86/05/02/826860502.db2.gz LSUJAGLVLFRRFC-KRWDZBQOSA-N 1 3 340.512 -0.171 20 0 EBADHO CN1CCN(CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC001118222387 826879459 /nfs/dbraw/zinc/87/94/59/826879459.db2.gz ZMQFVSFLPVUTCI-UHFFFAOYSA-N 1 3 334.468 -0.285 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC001118866134 827011058 /nfs/dbraw/zinc/01/10/58/827011058.db2.gz CGGUXGKUZVHJEP-UHFFFAOYSA-N 1 3 338.452 -0.575 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)CC1 ZINC001118975281 827039180 /nfs/dbraw/zinc/03/91/80/827039180.db2.gz HSKDVYBAJBQGPM-ZBFHGGJFSA-N 1 3 349.479 -0.955 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)N2CCNCC[NH2+]CC2)C[C@H](C)O1 ZINC001120567177 827246277 /nfs/dbraw/zinc/24/62/77/827246277.db2.gz WZQJYDFYBRYFQH-GASCZTMLSA-N 1 3 327.473 -0.310 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181651399 833170735 /nfs/dbraw/zinc/17/07/35/833170735.db2.gz BUEUMDZJOYXTOD-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CCC1 ZINC001183240694 833284520 /nfs/dbraw/zinc/28/45/20/833284520.db2.gz PPUKODVZLNZGBD-CABCVRRESA-N 1 3 335.452 -0.081 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183268738 833285711 /nfs/dbraw/zinc/28/57/11/833285711.db2.gz WBGOJDBKQPWZFP-CVEARBPZSA-N 1 3 340.468 -0.330 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C1CCC1 ZINC001183289077 833286059 /nfs/dbraw/zinc/28/60/59/833286059.db2.gz SCKZEUCNVIROKL-GDBMZVCRSA-N 1 3 335.452 -0.081 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289378 833286125 /nfs/dbraw/zinc/28/61/25/833286125.db2.gz VJZNPRXSBJSJAE-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183435921 833290444 /nfs/dbraw/zinc/29/04/44/833290444.db2.gz HYNCCEDOJWCGKY-PMPSAXMXSA-N 1 3 345.484 -0.213 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)N(C)C ZINC001183582503 833296327 /nfs/dbraw/zinc/29/63/27/833296327.db2.gz ZTFLWZBFVNEHJO-QLFBSQMISA-N 1 3 340.468 -0.188 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082435 828249290 /nfs/dbraw/zinc/24/92/90/828249290.db2.gz QQPWUIJWKHGLAD-ZDUSSCGKSA-N 1 3 334.486 -0.496 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082435 828249297 /nfs/dbraw/zinc/24/92/97/828249297.db2.gz QQPWUIJWKHGLAD-ZDUSSCGKSA-N 1 3 334.486 -0.496 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255354 828268459 /nfs/dbraw/zinc/26/84/59/828268459.db2.gz IVQQPJUGBJRRAM-HUUCEWRRSA-N 1 3 338.452 -0.575 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCOCC1 ZINC001127255354 828268466 /nfs/dbraw/zinc/26/84/66/828268466.db2.gz IVQQPJUGBJRRAM-HUUCEWRRSA-N 1 3 338.452 -0.575 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256653 828269974 /nfs/dbraw/zinc/26/99/74/828269974.db2.gz QIOQWBULAUKQJR-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256653 828269979 /nfs/dbraw/zinc/26/99/79/828269979.db2.gz QIOQWBULAUKQJR-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473628 828297317 /nfs/dbraw/zinc/29/73/17/828297317.db2.gz AWGZPHVLMDKBOE-CYBMUJFWSA-N 1 3 339.440 -0.730 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576820 828304688 /nfs/dbraw/zinc/30/46/88/828304688.db2.gz XYBDNBPROZPHPD-UHFFFAOYSA-N 1 3 338.456 -0.368 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001127706167 828316961 /nfs/dbraw/zinc/31/69/61/828316961.db2.gz JJAKKDQSILUNCJ-SDDRHHMPSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001127706167 828316971 /nfs/dbraw/zinc/31/69/71/828316971.db2.gz JJAKKDQSILUNCJ-SDDRHHMPSA-N 1 3 327.429 -0.733 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777705 828324272 /nfs/dbraw/zinc/32/42/72/828324272.db2.gz BGIZSRIQZJSPPX-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777705 828324282 /nfs/dbraw/zinc/32/42/82/828324282.db2.gz BGIZSRIQZJSPPX-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784982 828330174 /nfs/dbraw/zinc/33/01/74/828330174.db2.gz CUGRVABMXPLJKC-UONOGXRCSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784982 828330183 /nfs/dbraw/zinc/33/01/83/828330183.db2.gz CUGRVABMXPLJKC-UONOGXRCSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185203730 833349606 /nfs/dbraw/zinc/34/96/06/833349606.db2.gz GOBIEFSNCKOWHW-QWRGUYRKSA-N 1 3 336.396 -0.779 20 0 EBADHO Cn1cncc1[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1[NH2+]CCCO ZINC001131121011 829048116 /nfs/dbraw/zinc/04/81/16/829048116.db2.gz INSDLZRFFKZACN-HUUCEWRRSA-N 1 3 335.452 -0.218 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185650873 833365108 /nfs/dbraw/zinc/36/51/08/833365108.db2.gz QDGRWKXVNADDHQ-CHWSQXEVSA-N 1 3 332.470 -0.790 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(=O)NC(N)=O ZINC001185676109 833366571 /nfs/dbraw/zinc/36/65/71/833366571.db2.gz LQGVNHVEGOWACD-VXGBXAGGSA-N 1 3 339.440 -0.508 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185706666 833367977 /nfs/dbraw/zinc/36/79/77/833367977.db2.gz QRBJLJGVHUAHNQ-UPJWGTAASA-N 1 3 341.456 -0.249 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522151 829153623 /nfs/dbraw/zinc/15/36/23/829153623.db2.gz UPTRAMPKNVAUPV-CWVKQELPSA-N 1 3 336.436 -0.824 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522151 829153635 /nfs/dbraw/zinc/15/36/35/829153635.db2.gz UPTRAMPKNVAUPV-CWVKQELPSA-N 1 3 336.436 -0.824 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)N(C)C ZINC001185716586 833368480 /nfs/dbraw/zinc/36/84/80/833368480.db2.gz ZTFLWZBFVNEHJO-KFWWJZLASA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790231 829218238 /nfs/dbraw/zinc/21/82/38/829218238.db2.gz JCYJQVREIDOHDX-AWEZNQCLSA-N 1 3 339.440 -0.588 20 0 EBADHO C[C@H](NCCNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)NC(N)=O ZINC001131822131 829228911 /nfs/dbraw/zinc/22/89/11/829228911.db2.gz JSABSMUXJSUSNI-LBPRGKRZSA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@H](NCCNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)NC(N)=O ZINC001131822131 829228919 /nfs/dbraw/zinc/22/89/19/829228919.db2.gz JSABSMUXJSUSNI-LBPRGKRZSA-N 1 3 341.456 -0.070 20 0 EBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234076 833393163 /nfs/dbraw/zinc/39/31/63/833393163.db2.gz GTZGWYHAUGUGDG-TZMCWYRMSA-N 1 3 336.440 -0.617 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001186486751 833403436 /nfs/dbraw/zinc/40/34/36/833403436.db2.gz DHHSKUNANWBHLB-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001186452377 833402232 /nfs/dbraw/zinc/40/22/32/833402232.db2.gz OCGDGWDBGLVJIJ-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001186497129 833403397 /nfs/dbraw/zinc/40/33/97/833403397.db2.gz XSQMKLTYADVEOM-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCCN2CCCS2(=O)=O)CC1 ZINC001132993588 829568543 /nfs/dbraw/zinc/56/85/43/829568543.db2.gz ZFRHVLADFNXSCQ-UHFFFAOYSA-N 1 3 332.470 -0.931 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998399 829570104 /nfs/dbraw/zinc/57/01/04/829570104.db2.gz SSJWDFYOCHPYGU-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285870 829614613 /nfs/dbraw/zinc/61/46/13/829614613.db2.gz MBGPSONYDDYGGH-GFCCVEGCSA-N 1 3 341.456 -0.343 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275694 829614742 /nfs/dbraw/zinc/61/47/42/829614742.db2.gz WGKOUHCISOPLNX-QWHCGFSZSA-N 1 3 341.456 -0.403 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285975 829615048 /nfs/dbraw/zinc/61/50/48/829615048.db2.gz QPTSIQUMGLXJQB-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001133285905 829615201 /nfs/dbraw/zinc/61/52/01/829615201.db2.gz NSFLSPRFWIXZGU-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001186824942 833431692 /nfs/dbraw/zinc/43/16/92/833431692.db2.gz ROSOCRZWVYKZTR-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415718 829630021 /nfs/dbraw/zinc/63/00/21/829630021.db2.gz LKLASUJYWHCEFV-NWDGAFQWSA-N 1 3 329.445 -0.487 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001186824942 833431698 /nfs/dbraw/zinc/43/16/98/833431698.db2.gz ROSOCRZWVYKZTR-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001133418705 829630321 /nfs/dbraw/zinc/63/03/21/829630321.db2.gz DPEPAPODKLRUEK-DZGCQCFKSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434706 829630883 /nfs/dbraw/zinc/63/08/83/829630883.db2.gz ZRAVBFAXYXLSTL-CHWSQXEVSA-N 1 3 343.472 -0.099 20 0 EBADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133434535 829631568 /nfs/dbraw/zinc/63/15/68/829631568.db2.gz WBSWINYMNBTIAZ-WCQYABFASA-N 1 3 341.456 -0.345 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833922 829680885 /nfs/dbraw/zinc/68/08/85/829680885.db2.gz JPKPLHPEPZRICF-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833922 829680889 /nfs/dbraw/zinc/68/08/89/829680889.db2.gz JPKPLHPEPZRICF-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133824072 829681197 /nfs/dbraw/zinc/68/11/97/829681197.db2.gz XGEWOUQPPMRODZ-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133824072 829681199 /nfs/dbraw/zinc/68/11/99/829681199.db2.gz XGEWOUQPPMRODZ-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001133846366 829684537 /nfs/dbraw/zinc/68/45/37/829684537.db2.gz ZLGWRWJIMKSLAJ-NEPJUHHUSA-N 1 3 341.374 -0.026 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863048 829688399 /nfs/dbraw/zinc/68/83/99/829688399.db2.gz IYIAFZQLUGXWHC-QWRGUYRKSA-N 1 3 338.374 -0.089 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863048 829688402 /nfs/dbraw/zinc/68/84/02/829688402.db2.gz IYIAFZQLUGXWHC-QWRGUYRKSA-N 1 3 338.374 -0.089 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868133 829689942 /nfs/dbraw/zinc/68/99/42/829689942.db2.gz ZPTPWQWLAAECPS-GXTWGEPZSA-N 1 3 326.441 -0.815 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868133 829689949 /nfs/dbraw/zinc/68/99/49/829689949.db2.gz ZPTPWQWLAAECPS-GXTWGEPZSA-N 1 3 326.441 -0.815 20 0 EBADHO CCCNC(=O)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020889 829713101 /nfs/dbraw/zinc/71/31/01/829713101.db2.gz JPTUXALCCKSVBV-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H](COCC(=O)NCCNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001134058342 829719907 /nfs/dbraw/zinc/71/99/07/829719907.db2.gz JWBKMEBTEHNMFS-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134583676 829796641 /nfs/dbraw/zinc/79/66/41/829796641.db2.gz NDMQXTXJRHTOCC-GHMZBOCLSA-N 1 3 327.429 -0.462 20 0 EBADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001134613265 829804716 /nfs/dbraw/zinc/80/47/16/829804716.db2.gz UKERFGMNYLFBLM-MNOVXSKESA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118132 829900069 /nfs/dbraw/zinc/90/00/69/829900069.db2.gz HCENLJGZSOPNCO-UHFFFAOYSA-N 1 3 338.456 -0.464 20 0 EBADHO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCC(C)(C)C1 ZINC001135468065 829972607 /nfs/dbraw/zinc/97/26/07/829972607.db2.gz LWHKDCUSQMGSIS-NWDGAFQWSA-N 1 3 341.456 -0.214 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744159 830019063 /nfs/dbraw/zinc/01/90/63/830019063.db2.gz XATKWROGWOZOCL-NEPJUHHUSA-N 1 3 329.445 -0.343 20 0 EBADHO NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229598 837411484 /nfs/dbraw/zinc/41/14/84/837411484.db2.gz XVZRLWZMILALTR-ZDUSSCGKSA-N 1 3 339.440 -0.362 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959941 830051539 /nfs/dbraw/zinc/05/15/39/830051539.db2.gz WNXAWPFFQDFYSI-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958726 830052424 /nfs/dbraw/zinc/05/24/24/830052424.db2.gz DKCUSSYSRXJPLR-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H](NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135963571 830053555 /nfs/dbraw/zinc/05/35/55/830053555.db2.gz USMFURVSHPAPLE-CYBMUJFWSA-N 1 3 340.468 -0.282 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146590951 830211417 /nfs/dbraw/zinc/21/14/17/830211417.db2.gz DXHFWXOTCYIFAY-NEPJUHHUSA-N 1 3 329.445 -0.345 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001146710655 830222087 /nfs/dbraw/zinc/22/20/87/830222087.db2.gz KOYYANCAXJQMDP-UONOGXRCSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001146710655 830222092 /nfs/dbraw/zinc/22/20/92/830222092.db2.gz KOYYANCAXJQMDP-UONOGXRCSA-N 1 3 328.457 -0.282 20 0 EBADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001147826618 830416267 /nfs/dbraw/zinc/41/62/67/830416267.db2.gz YYMNVGBZZLMVNG-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCCN2CCCS2(=O)=O)C1 ZINC001147885616 830425824 /nfs/dbraw/zinc/42/58/24/830425824.db2.gz NQWLNMQWCUEUON-ZDUSSCGKSA-N 1 3 332.470 -0.931 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCCN2CCCS2(=O)=O)C1 ZINC001147885616 830425826 /nfs/dbraw/zinc/42/58/26/830425826.db2.gz NQWLNMQWCUEUON-ZDUSSCGKSA-N 1 3 332.470 -0.931 20 0 EBADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NCC(F)(F)F ZINC001147891549 830426851 /nfs/dbraw/zinc/42/68/51/830426851.db2.gz CGWBSCJSDYPJEX-SNVBAGLBSA-N 1 3 342.362 -0.663 20 0 EBADHO C[C@@H]1CCCC[C@@H]1NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893963 830427003 /nfs/dbraw/zinc/42/70/03/830427003.db2.gz WEGLXNOKNQXVFU-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC1CCCC1 ZINC001147892432 830427023 /nfs/dbraw/zinc/42/70/23/830427023.db2.gz IDRRHHPIMIGDHV-CYBMUJFWSA-N 1 3 328.457 -0.282 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCc1cccs1 ZINC001147892940 830427324 /nfs/dbraw/zinc/42/73/24/830427324.db2.gz LYIVKRDDUIATFC-UHFFFAOYSA-N 1 3 342.465 -0.352 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)CC1 ZINC001148161223 830450203 /nfs/dbraw/zinc/45/02/03/830450203.db2.gz QIJOLBNOBMPSHX-UHFFFAOYSA-N 1 3 349.479 -0.112 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001148570370 830510882 /nfs/dbraw/zinc/51/08/82/830510882.db2.gz BSSWMLSLYJONIW-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001148570370 830510892 /nfs/dbraw/zinc/51/08/92/830510892.db2.gz BSSWMLSLYJONIW-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001148611900 830518243 /nfs/dbraw/zinc/51/82/43/830518243.db2.gz RGPZRHWGDULRAN-UHFFFAOYSA-N 1 3 336.440 -0.609 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001148655843 830524296 /nfs/dbraw/zinc/52/42/96/830524296.db2.gz SSBPOYANURRULX-CABCVRRESA-N 1 3 331.457 -0.410 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848044 830762989 /nfs/dbraw/zinc/76/29/89/830762989.db2.gz IHVVHPCJFCQIHN-HUUCEWRRSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848044 830762991 /nfs/dbraw/zinc/76/29/91/830762991.db2.gz IHVVHPCJFCQIHN-HUUCEWRRSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193752 830834259 /nfs/dbraw/zinc/83/42/59/830834259.db2.gz OSAQLGRDQRGGGA-HUUCEWRRSA-N 1 3 343.468 -0.457 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193747 830835422 /nfs/dbraw/zinc/83/54/22/830835422.db2.gz OSAQLGRDQRGGGA-GJZGRUSLSA-N 1 3 343.468 -0.457 20 0 EBADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508047 830919813 /nfs/dbraw/zinc/91/98/13/830919813.db2.gz NJYJVKJUFIIZRY-GDBMZVCRSA-N 1 3 343.468 -0.315 20 0 EBADHO CCOCCN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586957 830939204 /nfs/dbraw/zinc/93/92/04/830939204.db2.gz CYXKGPGJKKRVMB-HNNXBMFYSA-N 1 3 331.457 -0.192 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072925 831019675 /nfs/dbraw/zinc/01/96/75/831019675.db2.gz AKOWDJDKFHQVAN-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072925 831019684 /nfs/dbraw/zinc/01/96/84/831019684.db2.gz AKOWDJDKFHQVAN-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073924 831021647 /nfs/dbraw/zinc/02/16/47/831021647.db2.gz SNJZANXKEOFSPS-WDEREUQCSA-N 1 3 325.413 -0.979 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073924 831021654 /nfs/dbraw/zinc/02/16/54/831021654.db2.gz SNJZANXKEOFSPS-WDEREUQCSA-N 1 3 325.413 -0.979 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NCCNCC(=O)N1CCOCC1 ZINC001151361460 831061859 /nfs/dbraw/zinc/06/18/59/831061859.db2.gz HHEBYUIWDYHCOT-UHFFFAOYSA-N 1 3 340.468 -0.183 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152384282 831156440 /nfs/dbraw/zinc/15/64/40/831156440.db2.gz PGOBXSHHHPEPII-LBPRGKRZSA-N 1 3 349.435 -0.088 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001152446464 831164262 /nfs/dbraw/zinc/16/42/62/831164262.db2.gz ZCBKSPHFUWYJRV-KGLIPLIRSA-N 1 3 328.457 -0.284 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001152458598 831165223 /nfs/dbraw/zinc/16/52/23/831165223.db2.gz RLXAZUNYNZUTLA-GJZGRUSLSA-N 1 3 331.457 -0.410 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001152458162 831165454 /nfs/dbraw/zinc/16/54/54/831165454.db2.gz LTGPPKDTZWJNFJ-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001155790682 831430455 /nfs/dbraw/zinc/43/04/55/831430455.db2.gz MABIGWMASQOBIL-GFCCVEGCSA-N 1 3 325.413 -0.835 20 0 EBADHO CO[C@@H]1CCN[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386870 831563218 /nfs/dbraw/zinc/56/32/18/831563218.db2.gz RBLSPXQBEDXBJQ-QLFBSQMISA-N 1 3 340.468 -0.010 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@H](C[NH3+])[C@H]2C)COC1(C)C ZINC001157841208 831596521 /nfs/dbraw/zinc/59/65/21/831596521.db2.gz FQQCQEFKVUQTIX-RNJOBUHISA-N 1 3 326.441 -0.117 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158073935 831624846 /nfs/dbraw/zinc/62/48/46/831624846.db2.gz TYHMMTFUZHNUBU-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076307 831625078 /nfs/dbraw/zinc/62/50/78/831625078.db2.gz CUVSAXWXBAFNKZ-JSGCOSHPSA-N 1 3 326.441 -0.543 20 0 EBADHO O=C(c1csc([C@@H]2CCCN2)n1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102517 831628038 /nfs/dbraw/zinc/62/80/38/831628038.db2.gz SYPZXRLZRIFCEH-BONVTDFDSA-N 1 3 335.433 -0.128 20 0 EBADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158236275 831639723 /nfs/dbraw/zinc/63/97/23/831639723.db2.gz ZPFCNHBMIQEKAX-AHIWAGSCSA-N 1 3 337.420 -0.491 20 0 EBADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158236275 831639726 /nfs/dbraw/zinc/63/97/26/831639726.db2.gz ZPFCNHBMIQEKAX-AHIWAGSCSA-N 1 3 337.420 -0.491 20 0 EBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H](N)CN)C2 ZINC001158468784 831657749 /nfs/dbraw/zinc/65/77/49/831657749.db2.gz SMARVCXJJFNLRP-GDZNZVCISA-N 1 3 338.452 -0.556 20 0 EBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CNCc2ccnn2C1 ZINC001158496558 831660790 /nfs/dbraw/zinc/66/07/90/831660790.db2.gz SFMWFDODGGBVMG-MYZSUADSSA-N 1 3 347.419 -0.646 20 0 EBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)C1CCOCC1 ZINC001158497770 831660969 /nfs/dbraw/zinc/66/09/69/831660969.db2.gz HEFRWHALZOFYBT-FQUUOJAGSA-N 1 3 325.409 -0.508 20 0 EBADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001159135735 831710909 /nfs/dbraw/zinc/71/09/09/831710909.db2.gz YGWYQBCLEDEFJJ-PSVOKBTDSA-N 1 3 341.481 -0.501 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001159155504 831712883 /nfs/dbraw/zinc/71/28/83/831712883.db2.gz PAPIKLIMQZBPSH-AWEZNQCLSA-N 1 3 348.463 -0.085 20 0 EBADHO CO[C@@H]1CCN(C(=O)[C@@H](N)CC[NH3+])[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159317894 831739500 /nfs/dbraw/zinc/73/95/00/831739500.db2.gz ZOBAQXURPSPWHZ-MWDXBVQZSA-N 1 3 347.463 -0.195 20 0 EBADHO CCOC[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])Cc2cnn(C)c21 ZINC001159402530 831749692 /nfs/dbraw/zinc/74/96/92/831749692.db2.gz HHBHYGRLCHXTAH-OLZOCXBDSA-N 1 3 341.481 -0.098 20 0 EBADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC[C@@H]21 ZINC001159782432 831782480 /nfs/dbraw/zinc/78/24/80/831782480.db2.gz QQSVZQMRYVNMBL-ILXRZTDVSA-N 1 3 334.464 -0.099 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159862159 831788872 /nfs/dbraw/zinc/78/88/72/831788872.db2.gz XSOXZJLGAANLDP-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CCC1 ZINC001159854709 831788999 /nfs/dbraw/zinc/78/89/99/831788999.db2.gz REFDAFUGHLGQJL-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874611 831791107 /nfs/dbraw/zinc/79/11/07/831791107.db2.gz UIVHVMCHDZSCNU-YOEHRIQHSA-N 1 3 348.451 -0.259 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001159915229 831797199 /nfs/dbraw/zinc/79/71/99/831797199.db2.gz HUEGWIQKOLSPML-ZBFHGGJFSA-N 1 3 340.468 -0.282 20 0 EBADHO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160084450 831813517 /nfs/dbraw/zinc/81/35/17/831813517.db2.gz FTGCYCFIPTUSDY-QVHKTLOISA-N 1 3 349.435 -0.953 20 0 EBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CCO2 ZINC001160179505 831823010 /nfs/dbraw/zinc/82/30/10/831823010.db2.gz LNKYLLTUULVMHF-WBVHZDCISA-N 1 3 338.452 -0.447 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C ZINC001160428270 831848396 /nfs/dbraw/zinc/84/83/96/831848396.db2.gz YJFSXIYNRQQUSW-HOCLYGCPSA-N 1 3 342.484 -0.179 20 0 EBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160825041 831892566 /nfs/dbraw/zinc/89/25/66/831892566.db2.gz RZKPCLXXWRLLFU-GXTWGEPZSA-N 1 3 335.408 -0.275 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CCCNS(=O)(=O)CC)N(C)C ZINC001160883259 831903104 /nfs/dbraw/zinc/90/31/04/831903104.db2.gz JARCEYFLDJRIMU-CYBMUJFWSA-N 1 3 336.502 -0.248 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160890582 831904058 /nfs/dbraw/zinc/90/40/58/831904058.db2.gz MZWTZLKOPCBVOH-LBPRGKRZSA-N 1 3 325.438 -0.134 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066889 831919328 /nfs/dbraw/zinc/91/93/28/831919328.db2.gz DAWLWXBTIKUXGO-VXGBXAGGSA-N 1 3 341.437 -0.973 20 0 EBADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161093460 831923674 /nfs/dbraw/zinc/92/36/74/831923674.db2.gz OOPJPTBFYURILL-STQMWFEESA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161093460 831923676 /nfs/dbraw/zinc/92/36/76/831923676.db2.gz OOPJPTBFYURILL-STQMWFEESA-N 1 3 325.409 -0.349 20 0 EBADHO NC[C@H](N)C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152219 831932107 /nfs/dbraw/zinc/93/21/07/831932107.db2.gz BUEHVVYDHIIFCF-VIFPVBQESA-N 1 3 332.330 -0.134 20 0 EBADHO CN[C@@H](CO)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198803 831937706 /nfs/dbraw/zinc/93/77/06/831937706.db2.gz YRZPSJBNQYGWFP-INIZCTEOSA-N 1 3 342.484 -0.883 20 0 EBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)nc1 ZINC001161298200 831945411 /nfs/dbraw/zinc/94/54/11/831945411.db2.gz ILMXPAGCVKKLAJ-AAEUAGOBSA-N 1 3 333.392 -0.726 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1[nH]nc3c1CNCC3)CC2 ZINC001161483982 831965107 /nfs/dbraw/zinc/96/51/07/831965107.db2.gz REQNPJNQGYDIRC-LRDDRELGSA-N 1 3 333.392 -0.577 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCNC2(CC2)C1 ZINC001161550691 831971196 /nfs/dbraw/zinc/97/11/96/831971196.db2.gz OWPSOOWXKTWSSH-KBPBESRZSA-N 1 3 337.468 -0.602 20 0 EBADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001350340975 832156271 /nfs/dbraw/zinc/15/62/71/832156271.db2.gz GAUGWJRQUNBTML-UKRRQHHQSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001164539155 832196229 /nfs/dbraw/zinc/19/62/29/832196229.db2.gz TWZVSRULBCABNF-STQMWFEESA-N 1 3 339.444 -0.524 20 0 EBADHO Cn1ccc(N2CC[C@H](NCCCNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001165781219 832237479 /nfs/dbraw/zinc/23/74/79/832237479.db2.gz LGVDGJLMEWWJJF-ZDUSSCGKSA-N 1 3 336.440 -0.427 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001166627664 832274615 /nfs/dbraw/zinc/27/46/15/832274615.db2.gz ZAEBBQPYCYGTOZ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166626937 832274965 /nfs/dbraw/zinc/27/49/65/832274965.db2.gz MPVYWFHGONTPEU-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166634448 832275860 /nfs/dbraw/zinc/27/58/60/832275860.db2.gz SDIAVARUPIPBLJ-ZDUSSCGKSA-N 1 3 334.424 -0.005 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166750940 832286858 /nfs/dbraw/zinc/28/68/58/832286858.db2.gz NGLSFOZDKIGJHF-LBPRGKRZSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1)N(C)C ZINC001166852954 832294161 /nfs/dbraw/zinc/29/41/61/832294161.db2.gz ZYGZSAGVUPECFY-ZBFHGGJFSA-N 1 3 345.484 -0.021 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001167232842 832318965 /nfs/dbraw/zinc/31/89/65/832318965.db2.gz RUIMDCRQCIBWEA-LBPRGKRZSA-N 1 3 339.440 -0.601 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001167232841 832319454 /nfs/dbraw/zinc/31/94/54/832319454.db2.gz RUIMDCRQCIBWEA-GFCCVEGCSA-N 1 3 339.440 -0.601 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001353314195 832421515 /nfs/dbraw/zinc/42/15/15/832421515.db2.gz YHEMPRHMHJQIGS-MCIONIFRSA-N 1 3 325.457 -0.164 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001168762510 832434455 /nfs/dbraw/zinc/43/44/55/832434455.db2.gz DPYJVJZNFSMTTO-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001168754808 832434631 /nfs/dbraw/zinc/43/46/31/832434631.db2.gz CBTBCPIAXFBCTC-GJZGRUSLSA-N 1 3 333.473 -0.164 20 0 EBADHO CN1CCC(NC(=O)c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nn2)CC1 ZINC001170778081 832525081 /nfs/dbraw/zinc/52/50/81/832525081.db2.gz KUXMYSIQEXZKBH-SMDDNHRTSA-N 1 3 334.424 -0.707 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001171770591 832575909 /nfs/dbraw/zinc/57/59/09/832575909.db2.gz UGFKQWFQTJENSJ-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001171770572 832575984 /nfs/dbraw/zinc/57/59/84/832575984.db2.gz SXZGBJXMZUPEPO-UHFFFAOYSA-N 1 3 339.440 -0.978 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001176986849 832726116 /nfs/dbraw/zinc/72/61/16/832726116.db2.gz XBQQYQMBXVTCNI-OAHLLOKOSA-N 1 3 345.484 -0.021 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C)N(C)C ZINC001178985409 832938274 /nfs/dbraw/zinc/93/82/74/832938274.db2.gz IDZZBWAILLUASY-FIQHERPVSA-N 1 3 327.429 -0.511 20 0 EBADHO NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001179080800 832950784 /nfs/dbraw/zinc/95/07/84/832950784.db2.gz KINBSNPOIOHHOV-UUCFBXCCSA-N 1 3 338.452 -0.399 20 0 EBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(=O)NC(N)=O ZINC001179303505 832968381 /nfs/dbraw/zinc/96/83/81/832968381.db2.gz FSJQFBDMTBCJOT-FIQHERPVSA-N 1 3 325.413 -0.757 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179439822 832979183 /nfs/dbraw/zinc/97/91/83/832979183.db2.gz ZIWSZDAWIKGCIX-WOPDTQHZSA-N 1 3 327.429 -0.509 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472125 832981989 /nfs/dbraw/zinc/98/19/89/832981989.db2.gz HBKJHSSMHSUILN-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C)N(C)C ZINC001179553912 832988791 /nfs/dbraw/zinc/98/87/91/832988791.db2.gz FOHKEHNGSIOAOT-FZKCQIBNSA-N 1 3 345.484 -0.071 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187083455 833898843 /nfs/dbraw/zinc/89/88/43/833898843.db2.gz JJUHPPBXTMBNHQ-ZIAGYGMSSA-N 1 3 346.497 -0.542 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187083455 833898856 /nfs/dbraw/zinc/89/88/56/833898856.db2.gz JJUHPPBXTMBNHQ-ZIAGYGMSSA-N 1 3 346.497 -0.542 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001187115567 833902736 /nfs/dbraw/zinc/90/27/36/833902736.db2.gz MPJVWZVIOVJGTR-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115333 833903278 /nfs/dbraw/zinc/90/32/78/833903278.db2.gz JFMVSZZHUIJQTF-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)S(C)(=O)=O ZINC001187122661 833903851 /nfs/dbraw/zinc/90/38/51/833903851.db2.gz YHTYHODNTXASBW-CYBMUJFWSA-N 1 3 344.481 -0.836 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232159 833912209 /nfs/dbraw/zinc/91/22/09/833912209.db2.gz WJDNYGIMHOKANG-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001187307167 833918983 /nfs/dbraw/zinc/91/89/83/833918983.db2.gz XKWKAERONYBFTN-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001187307167 833918988 /nfs/dbraw/zinc/91/89/88/833918988.db2.gz XKWKAERONYBFTN-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001187328748 833921251 /nfs/dbraw/zinc/92/12/51/833921251.db2.gz KSHUHECQSQILNH-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001187842812 833973166 /nfs/dbraw/zinc/97/31/66/833973166.db2.gz PKKOXHIITYMAPI-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842820 833973783 /nfs/dbraw/zinc/97/37/83/833973783.db2.gz POMPDCHHSMSSIF-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO COCCOC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001192253106 834631842 /nfs/dbraw/zinc/63/18/42/834631842.db2.gz PMUBEUOBPXQECI-GVDBMIGSSA-N 1 3 329.485 -0.032 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195859113 835301201 /nfs/dbraw/zinc/30/12/01/835301201.db2.gz FKBPLBWBEMCJNR-BFHYXJOUSA-N 1 3 326.441 -0.984 20 0 EBADHO CC(C)COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673120 835707881 /nfs/dbraw/zinc/70/78/81/835707881.db2.gz YUIOTLMHGBZKIW-BZUAXINKSA-N 1 3 343.468 -0.723 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198699127 835710735 /nfs/dbraw/zinc/71/07/35/835710735.db2.gz KFCGJEFAADRDQU-ARFHVFGLSA-N 1 3 343.468 -0.459 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198699127 835710738 /nfs/dbraw/zinc/71/07/38/835710738.db2.gz KFCGJEFAADRDQU-ARFHVFGLSA-N 1 3 343.468 -0.459 20 0 EBADHO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788425 835861628 /nfs/dbraw/zinc/86/16/28/835861628.db2.gz PWLGOYHANDVODS-INIZCTEOSA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200722381 836022398 /nfs/dbraw/zinc/02/23/98/836022398.db2.gz WIUMHDUWQIUPSO-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200722381 836022410 /nfs/dbraw/zinc/02/24/10/836022410.db2.gz WIUMHDUWQIUPSO-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001200796517 836037988 /nfs/dbraw/zinc/03/79/88/836037988.db2.gz ZJYMIYIQJIKKAU-HUUCEWRRSA-N 1 3 338.456 -0.175 20 0 EBADHO CN(CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1)c1cc[nH+]cc1 ZINC001200843080 836046060 /nfs/dbraw/zinc/04/60/60/836046060.db2.gz WUBOZXPBRPOMFF-HNNXBMFYSA-N 1 3 349.435 -0.400 20 0 EBADHO CN(CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)C1CCC1 ZINC001201066288 836088050 /nfs/dbraw/zinc/08/80/50/836088050.db2.gz JSGVOZFSDCVASA-UHFFFAOYSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001201246682 836117953 /nfs/dbraw/zinc/11/79/53/836117953.db2.gz UJERGDJVPDCSMB-MELADBBJSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001201246682 836117956 /nfs/dbraw/zinc/11/79/56/836117956.db2.gz UJERGDJVPDCSMB-MELADBBJSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001201277312 836122084 /nfs/dbraw/zinc/12/20/84/836122084.db2.gz QBQVIVNMBZQKGA-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CNCCS(C)(=O)=O)C1 ZINC001201277798 836122219 /nfs/dbraw/zinc/12/22/19/836122219.db2.gz XPTPSUIYZUNVDR-AWEZNQCLSA-N 1 3 349.497 -0.420 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201678795 836174389 /nfs/dbraw/zinc/17/43/89/836174389.db2.gz OWQTVGNPTWDUEM-HNNXBMFYSA-N 1 3 338.456 -0.173 20 0 EBADHO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CCCO1)C(N)=O ZINC001201677775 836174454 /nfs/dbraw/zinc/17/44/54/836174454.db2.gz DCKYYJWDUBUJNY-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1)C(N)=O ZINC001201891092 836211717 /nfs/dbraw/zinc/21/17/17/836211717.db2.gz JIVUFQYHBHWDCJ-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001201908958 836213507 /nfs/dbraw/zinc/21/35/07/836213507.db2.gz SFNXVZNFDYCGOS-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060537 836246366 /nfs/dbraw/zinc/24/63/66/836246366.db2.gz ZLZDMTAKERIKPO-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060537 836246378 /nfs/dbraw/zinc/24/63/78/836246378.db2.gz ZLZDMTAKERIKPO-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060245 836247358 /nfs/dbraw/zinc/24/73/58/836247358.db2.gz VYJBMQYUOJBKCB-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060245 836247371 /nfs/dbraw/zinc/24/73/71/836247371.db2.gz VYJBMQYUOJBKCB-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001202147791 836260891 /nfs/dbraw/zinc/26/08/91/836260891.db2.gz JWAFPTQGEDPCLL-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001202147792 836261681 /nfs/dbraw/zinc/26/16/81/836261681.db2.gz JWAFPTQGEDPCLL-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(=O)NC(N)=O ZINC001202504698 836308145 /nfs/dbraw/zinc/30/81/45/836308145.db2.gz VPDIOOBZPQQSBB-VXGBXAGGSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202496521 836308901 /nfs/dbraw/zinc/30/89/01/836308901.db2.gz UJSKXBOHEKTKEY-ZDUSSCGKSA-N 1 3 346.497 -0.400 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC001203010835 836384418 /nfs/dbraw/zinc/38/44/18/836384418.db2.gz WTAZVYYVDJLJAH-INIZCTEOSA-N 1 3 345.484 -0.067 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203521001 836441621 /nfs/dbraw/zinc/44/16/21/836441621.db2.gz HSEXEAXYGHUQNC-VXGBXAGGSA-N 1 3 339.440 -0.460 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203924660 836488612 /nfs/dbraw/zinc/48/86/12/836488612.db2.gz FSRNHEWQJYEAFF-UHFFFAOYSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001203933237 836488714 /nfs/dbraw/zinc/48/87/14/836488714.db2.gz WIDUMBVZCOUBNE-LLVKDONJSA-N 1 3 327.429 -0.509 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001204799535 836530088 /nfs/dbraw/zinc/53/00/88/836530088.db2.gz ZTUVBBLEJWYYEB-GFCCVEGCSA-N 1 3 325.413 -0.896 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206275616 836634980 /nfs/dbraw/zinc/63/49/80/836634980.db2.gz XBDKCQVFYBUCGB-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001206929177 836716275 /nfs/dbraw/zinc/71/62/75/836716275.db2.gz XQWXSNOHYAILIT-UHFFFAOYSA-N 1 3 337.468 -0.064 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207683646 836844016 /nfs/dbraw/zinc/84/40/16/836844016.db2.gz FVFXVIDJCKBAFC-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208070480 836940645 /nfs/dbraw/zinc/94/06/45/836940645.db2.gz NDHOWEVKZYZASU-GRYCIOLGSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001208070480 836940651 /nfs/dbraw/zinc/94/06/51/836940651.db2.gz NDHOWEVKZYZASU-GRYCIOLGSA-N 1 3 325.413 -0.898 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001208372968 837010410 /nfs/dbraw/zinc/01/04/10/837010410.db2.gz FKKWNOVCKOCPSX-KBPBESRZSA-N 1 3 348.513 -0.298 20 0 EBADHO C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493140 837065807 /nfs/dbraw/zinc/06/58/07/837065807.db2.gz USMUZBKIEINPFJ-QLFBSQMISA-N 1 3 340.468 -0.642 20 0 EBADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208638592 837095088 /nfs/dbraw/zinc/09/50/88/837095088.db2.gz JCXOIIFAEFURRG-YRTQGLMCSA-N 1 3 336.436 -0.824 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001209244375 837144323 /nfs/dbraw/zinc/14/43/23/837144323.db2.gz ZNHSAHOZZCVUIZ-RWMBFGLXSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001209244375 837144331 /nfs/dbraw/zinc/14/43/31/837144331.db2.gz ZNHSAHOZZCVUIZ-RWMBFGLXSA-N 1 3 339.440 -0.508 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001209669348 837188451 /nfs/dbraw/zinc/18/84/51/837188451.db2.gz PFMRNHFQYGHIFA-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001209669800 837188463 /nfs/dbraw/zinc/18/84/63/837188463.db2.gz UOTLUPYOUBKEOE-KGLIPLIRSA-N 1 3 348.513 -0.154 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001209837262 837205892 /nfs/dbraw/zinc/20/58/92/837205892.db2.gz ORIOYKREQBTRHB-UKRRQHHQSA-N 1 3 332.408 -0.210 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210217151 837256893 /nfs/dbraw/zinc/25/68/93/837256893.db2.gz DKUTZOROSQVALH-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001210282791 837265425 /nfs/dbraw/zinc/26/54/25/837265425.db2.gz KCKKRLDPSRSIHZ-ZDUSSCGKSA-N 1 3 339.440 -0.506 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001210676317 837319069 /nfs/dbraw/zinc/31/90/69/837319069.db2.gz DXRVPVZTAWPIFI-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO C[C@H]1CN(CCCN2C(=O)CNC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001319716604 838170704 /nfs/dbraw/zinc/17/07/04/838170704.db2.gz IOLFSIWPHFJDFZ-GJZGRUSLSA-N 1 3 337.468 -0.114 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320734730 838826182 /nfs/dbraw/zinc/82/61/82/838826182.db2.gz MKQZYUANKSWSDK-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320734730 838826196 /nfs/dbraw/zinc/82/61/96/838826196.db2.gz MKQZYUANKSWSDK-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320841295 838846908 /nfs/dbraw/zinc/84/69/08/838846908.db2.gz SSGDQXDZAGCHEM-GFCCVEGCSA-N 1 3 327.429 -0.778 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320841295 838846920 /nfs/dbraw/zinc/84/69/20/838846920.db2.gz SSGDQXDZAGCHEM-GFCCVEGCSA-N 1 3 327.429 -0.778 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 ZINC001320872469 838852933 /nfs/dbraw/zinc/85/29/33/838852933.db2.gz NDTJTLMXEVLFDT-UHFFFAOYSA-N 1 3 337.424 -0.787 20 0 EBADHO CN(CCC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001322442129 839182654 /nfs/dbraw/zinc/18/26/54/839182654.db2.gz JFXYDYNJFWNPFS-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001323443336 839442987 /nfs/dbraw/zinc/44/29/87/839442987.db2.gz RDABZAWVDZQACQ-CHWSQXEVSA-N 1 3 336.436 -0.097 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001323443336 839442994 /nfs/dbraw/zinc/44/29/94/839442994.db2.gz RDABZAWVDZQACQ-CHWSQXEVSA-N 1 3 336.436 -0.097 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CSC1(C)C ZINC001324882483 839731071 /nfs/dbraw/zinc/73/10/71/839731071.db2.gz JQUNRCUCNQDSFL-LBPRGKRZSA-N 1 3 330.498 -0.052 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001326364342 840092206 /nfs/dbraw/zinc/09/22/06/840092206.db2.gz JKOLCTUHIUZFPL-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO CN1CCN(CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001326371496 840092674 /nfs/dbraw/zinc/09/26/74/840092674.db2.gz KWJNRRYGMYGGDL-CQSZACIVSA-N 1 3 335.456 -0.430 20 0 EBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001328961686 840800387 /nfs/dbraw/zinc/80/03/87/840800387.db2.gz UVMIACCHHPWXTQ-UHFFFAOYSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H]([NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001329773247 841014764 /nfs/dbraw/zinc/01/47/64/841014764.db2.gz ISWMJYYKJZPMIJ-HIFRSBDPSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330568293 841237461 /nfs/dbraw/zinc/23/74/61/841237461.db2.gz SAIFIFHYKSQHGX-ZIAGYGMSSA-N 1 3 337.468 -0.827 20 0 EBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CNC[C@H]2CCCO2)CC1 ZINC001330593161 841242570 /nfs/dbraw/zinc/24/25/70/841242570.db2.gz YSURSCSEHIHAET-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO COCC[NH2+]CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001331396081 841402237 /nfs/dbraw/zinc/40/22/37/841402237.db2.gz OROZELPMVCHWNO-UHFFFAOYSA-N 1 3 327.473 -0.356 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331616905 841441031 /nfs/dbraw/zinc/44/10/31/841441031.db2.gz DYSRTYABLRQPNN-CABCVRRESA-N 1 3 339.484 -0.484 20 0 EBADHO CN1CCN(CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001332092878 841569925 /nfs/dbraw/zinc/56/99/25/841569925.db2.gz GRGLYIBRZCKIMN-HNNXBMFYSA-N 1 3 349.483 -0.040 20 0 EBADHO CCOCC[C@H](O)CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333528970 841900642 /nfs/dbraw/zinc/90/06/42/841900642.db2.gz KCVSJSZUFRZROL-HRCADAONSA-N 1 3 340.468 -0.006 20 0 EBADHO C[NH2+]CCCN(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333566647 841906874 /nfs/dbraw/zinc/90/68/74/841906874.db2.gz NRFJDVFGJJCXRE-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC001335795205 842356372 /nfs/dbraw/zinc/35/63/72/842356372.db2.gz SRQNPYIYAKLDFQ-OAHLLOKOSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001337471540 842617868 /nfs/dbraw/zinc/61/78/68/842617868.db2.gz QGSNHFOQLDCBOU-CYBMUJFWSA-N 1 3 325.457 -0.922 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340955774 843046315 /nfs/dbraw/zinc/04/63/15/843046315.db2.gz DDZMVYDPBBEFSX-GJZGRUSLSA-N 1 3 340.468 -0.247 20 0 EBADHO CCN(CC)CC(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001687261904 1125821806 /nfs/dbraw/zinc/82/18/06/1125821806.db2.gz WQPAEBJKVTVTMC-UHFFFAOYSA-N 1 3 342.484 -0.033 20 0 EBADHO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001481215935 1125945534 /nfs/dbraw/zinc/94/55/34/1125945534.db2.gz PPPPHZXSCUCETN-GFCCVEGCSA-N 1 3 339.440 -0.541 20 0 EBADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001481951413 1126069230 /nfs/dbraw/zinc/06/92/30/1126069230.db2.gz LAPSWTLHGKYUGO-OAHLLOKOSA-N 1 3 327.429 -0.604 20 0 EBADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001481949817 1126069303 /nfs/dbraw/zinc/06/93/03/1126069303.db2.gz AXPONKCBMDAXLD-BDJLRTHQSA-N 1 3 341.456 -0.216 20 0 EBADHO NC(=O)NC(=O)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001482008144 1126071664 /nfs/dbraw/zinc/07/16/64/1126071664.db2.gz LAAPKKFGGNYTOC-UHFFFAOYSA-N 1 3 339.440 -0.505 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001482060389 1126074629 /nfs/dbraw/zinc/07/46/29/1126074629.db2.gz DVYRNWDPXSUBPI-JHJVBQTASA-N 1 3 339.440 -0.495 20 0 EBADHO NC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001280295169 1126132687 /nfs/dbraw/zinc/13/26/87/1126132687.db2.gz HLCOVHFNDKQARS-LBPRGKRZSA-N 1 3 325.413 -0.895 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C(C)C ZINC001482565612 1126198221 /nfs/dbraw/zinc/19/82/21/1126198221.db2.gz JGIVAIRHVMGJKM-QWHCGFSZSA-N 1 3 326.441 -0.136 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001648976252 1126210377 /nfs/dbraw/zinc/21/03/77/1126210377.db2.gz KNLJMCMICWUYDQ-NVXWUHKLSA-N 1 3 326.485 -0.119 20 0 EBADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764960 1126281330 /nfs/dbraw/zinc/28/13/30/1126281330.db2.gz ZSOLYFZEOHCKDK-UKRRQHHQSA-N 1 3 342.484 -0.350 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)CC1 ZINC001482781051 1126282323 /nfs/dbraw/zinc/28/23/23/1126282323.db2.gz LJMCWYKUFLTIFL-OAHLLOKOSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775118 1126284972 /nfs/dbraw/zinc/28/49/72/1126284972.db2.gz OGMOOCYXMKEDCI-HUUCEWRRSA-N 1 3 340.468 -0.452 20 0 EBADHO CC[C@H](C)NC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787884 1126291188 /nfs/dbraw/zinc/29/11/88/1126291188.db2.gz XJHOUTIARHCRAC-STQMWFEESA-N 1 3 326.441 -0.936 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCCNS(C)(=O)=O)CC[N@@H+]1C ZINC001483007527 1126311966 /nfs/dbraw/zinc/31/19/66/1126311966.db2.gz AZUXOLQVDCPRNN-DIABFLQPSA-N 1 3 332.470 -0.862 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCCNS(C)(=O)=O)CC[N@H+]1C ZINC001483007527 1126311969 /nfs/dbraw/zinc/31/19/69/1126311969.db2.gz AZUXOLQVDCPRNN-DIABFLQPSA-N 1 3 332.470 -0.862 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001483014935 1126312686 /nfs/dbraw/zinc/31/26/86/1126312686.db2.gz CAFFAQXLSIOOIS-OEFFGFFESA-N 1 3 339.440 -0.294 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001483014935 1126312687 /nfs/dbraw/zinc/31/26/87/1126312687.db2.gz CAFFAQXLSIOOIS-OEFFGFFESA-N 1 3 339.440 -0.294 20 0 EBADHO O=C(NC/C=C\CN[C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025412 1126314581 /nfs/dbraw/zinc/31/45/81/1126314581.db2.gz WMIUSXKVDWJQMB-DDGIKZQJSA-N 1 3 348.447 -0.070 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCOC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556861 1126321795 /nfs/dbraw/zinc/32/17/95/1126321795.db2.gz ZLPXCRFLRIJRHZ-GJZGRUSLSA-N 1 3 340.468 -0.471 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCOC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691556861 1126321797 /nfs/dbraw/zinc/32/17/97/1126321797.db2.gz ZLPXCRFLRIJRHZ-GJZGRUSLSA-N 1 3 340.468 -0.471 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360211 1126358315 /nfs/dbraw/zinc/35/83/15/1126358315.db2.gz JOUIIYGBEDYBGG-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483236763 1126384952 /nfs/dbraw/zinc/38/49/52/1126384952.db2.gz SLWIZSAHLTWXQD-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483236763 1126384954 /nfs/dbraw/zinc/38/49/54/1126384954.db2.gz SLWIZSAHLTWXQD-RYUDHWBXSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692610 1126393404 /nfs/dbraw/zinc/39/34/04/1126393404.db2.gz WEYQWQDIHGDUEB-KGLIPLIRSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692610 1126393405 /nfs/dbraw/zinc/39/34/05/1126393405.db2.gz WEYQWQDIHGDUEB-KGLIPLIRSA-N 1 3 348.513 -0.344 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001493546512 1126466869 /nfs/dbraw/zinc/46/68/69/1126466869.db2.gz OZSGGFXXOXKIBU-NWDGAFQWSA-N 1 3 327.429 -0.509 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001493546512 1126466870 /nfs/dbraw/zinc/46/68/70/1126466870.db2.gz OZSGGFXXOXKIBU-NWDGAFQWSA-N 1 3 327.429 -0.509 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001483932389 1126490528 /nfs/dbraw/zinc/49/05/28/1126490528.db2.gz FMZFLPSLCHEYDP-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001483932389 1126490529 /nfs/dbraw/zinc/49/05/29/1126490529.db2.gz FMZFLPSLCHEYDP-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCC(=O)N(C)C)CC[N@@H+]1C ZINC001484483154 1126592746 /nfs/dbraw/zinc/59/27/46/1126592746.db2.gz CAZDYRRWPKSFQG-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCC(=O)N(C)C)CC[N@H+]1C ZINC001484483154 1126592747 /nfs/dbraw/zinc/59/27/47/1126592747.db2.gz CAZDYRRWPKSFQG-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CN1CC[C@@H](NCCN(CCO)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001484490255 1126593500 /nfs/dbraw/zinc/59/35/00/1126593500.db2.gz VSOFHHBHENUHRV-CQSZACIVSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001484486448 1126595858 /nfs/dbraw/zinc/59/58/58/1126595858.db2.gz PSPIHRNTUVBNPM-UHFFFAOYSA-N 1 3 326.441 -0.887 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001484493990 1126596940 /nfs/dbraw/zinc/59/69/40/1126596940.db2.gz MWOWZFIGQXWBKI-ZIAGYGMSSA-N 1 3 326.441 -0.983 20 0 EBADHO C[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499747 1126598905 /nfs/dbraw/zinc/59/89/05/1126598905.db2.gz DGKYKKOXAIJMHQ-UONOGXRCSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499747 1126598907 /nfs/dbraw/zinc/59/89/07/1126598907.db2.gz DGKYKKOXAIJMHQ-UONOGXRCSA-N 1 3 342.484 -0.348 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCC(=O)NCC)C1 ZINC001484678318 1126618750 /nfs/dbraw/zinc/61/87/50/1126618750.db2.gz KPENFQJJLOMABI-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCC(=O)NCC)C1 ZINC001484678318 1126618751 /nfs/dbraw/zinc/61/87/51/1126618751.db2.gz KPENFQJJLOMABI-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692934 1126620020 /nfs/dbraw/zinc/62/00/20/1126620020.db2.gz QEYLIXIKKYRPCJ-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCC(O)(CNCC(=O)NC2CC2)CC1 ZINC001484960134 1126659298 /nfs/dbraw/zinc/65/92/98/1126659298.db2.gz ZKOVDIHIOPMTQH-UHFFFAOYSA-N 1 3 340.468 -0.450 20 0 EBADHO CCCC[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485463992 1126719879 /nfs/dbraw/zinc/71/98/79/1126719879.db2.gz RTLAMRLSAOFKBL-JHJVBQTASA-N 1 3 341.456 -0.214 20 0 EBADHO CCCC[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485463992 1126719884 /nfs/dbraw/zinc/71/98/84/1126719884.db2.gz RTLAMRLSAOFKBL-JHJVBQTASA-N 1 3 341.456 -0.214 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)CC(=O)NC(N)=O)CC2)C1 ZINC001485764196 1126827531 /nfs/dbraw/zinc/82/75/31/1126827531.db2.gz YNZCTOHRGJLLSO-GFCCVEGCSA-N 1 3 339.440 -0.554 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)CC(=O)NC(N)=O)CC2)C1 ZINC001485764196 1126827540 /nfs/dbraw/zinc/82/75/40/1126827540.db2.gz YNZCTOHRGJLLSO-GFCCVEGCSA-N 1 3 339.440 -0.554 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@H](CO)NC[C@H]1COc2ccccc2O1 ZINC001486031138 1127001715 /nfs/dbraw/zinc/00/17/15/1127001715.db2.gz OWCBISHGMDVYQC-KGLIPLIRSA-N 1 3 337.420 -0.155 20 0 EBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486277918 1127073888 /nfs/dbraw/zinc/07/38/88/1127073888.db2.gz JVOATDBJAQPMOJ-JKSUJKDBSA-N 1 3 335.452 -0.329 20 0 EBADHO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)C(C)(C)N1CCCC1 ZINC001486293494 1127101832 /nfs/dbraw/zinc/10/18/32/1127101832.db2.gz XCHMDMCMXITJMI-AWEZNQCLSA-N 1 3 338.456 -0.439 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486309998 1127115084 /nfs/dbraw/zinc/11/50/84/1127115084.db2.gz HWJMORJUHCEDEU-DZGCQCFKSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)C(=O)CNC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486312021 1127125129 /nfs/dbraw/zinc/12/51/29/1127125129.db2.gz SHAKLZVIEJPPAQ-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001410106487 1127569614 /nfs/dbraw/zinc/56/96/14/1127569614.db2.gz FAXGHCJAMOUWHI-LSDHHAIUSA-N 1 3 342.484 -0.204 20 0 EBADHO C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127369 1127591881 /nfs/dbraw/zinc/59/18/81/1127591881.db2.gz COPLUEYQHTUSJE-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001410166385 1127623967 /nfs/dbraw/zinc/62/39/67/1127623967.db2.gz ZAZARKIXONQGLC-KBPBESRZSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)NC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150334 1127628338 /nfs/dbraw/zinc/62/83/38/1127628338.db2.gz FIDBETUQVLFXDQ-UONOGXRCSA-N 1 3 328.457 -0.332 20 0 EBADHO CCCN(C)CC(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001410177171 1127631008 /nfs/dbraw/zinc/63/10/08/1127631008.db2.gz INUNSHYYNXFUMS-AWEZNQCLSA-N 1 3 340.468 -0.199 20 0 EBADHO CCN1CC[C@@H](N[C@@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767471 1127872633 /nfs/dbraw/zinc/87/26/33/1127872633.db2.gz XHPDMILOWOLOSM-HUUCEWRRSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001410870359 1127923656 /nfs/dbraw/zinc/92/36/56/1127923656.db2.gz WLFXNWXEOCRGMI-ZIAGYGMSSA-N 1 3 348.513 -0.203 20 0 EBADHO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001411051229 1127988041 /nfs/dbraw/zinc/98/80/41/1127988041.db2.gz ZZMAFRQKWWHIIN-JSGCOSHPSA-N 1 3 340.468 -0.453 20 0 EBADHO CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122187 1128024068 /nfs/dbraw/zinc/02/40/68/1128024068.db2.gz GVQCYLBEURKTPB-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001488100902 1128617515 /nfs/dbraw/zinc/61/75/15/1128617515.db2.gz XMSIPATZFFYYQI-KBPBESRZSA-N 1 3 340.468 -0.737 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001488368339 1128705468 /nfs/dbraw/zinc/70/54/68/1128705468.db2.gz ALWPNRKSAVVHSG-ZIAGYGMSSA-N 1 3 328.457 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001488368339 1128705472 /nfs/dbraw/zinc/70/54/72/1128705472.db2.gz ALWPNRKSAVVHSG-ZIAGYGMSSA-N 1 3 328.457 -0.786 20 0 EBADHO CO[C@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001489080001 1128907930 /nfs/dbraw/zinc/90/79/30/1128907930.db2.gz BUCPWGUEQUNNNR-NEPJUHHUSA-N 1 3 337.424 -0.125 20 0 EBADHO CO[C@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001489080001 1128907931 /nfs/dbraw/zinc/90/79/31/1128907931.db2.gz BUCPWGUEQUNNNR-NEPJUHHUSA-N 1 3 337.424 -0.125 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001414061997 1131369005 /nfs/dbraw/zinc/36/90/05/1131369005.db2.gz ONWKNYCKCWLAKF-KGLIPLIRSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001414061997 1131369009 /nfs/dbraw/zinc/36/90/09/1131369009.db2.gz ONWKNYCKCWLAKF-KGLIPLIRSA-N 1 3 328.457 -0.642 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491061499 1130308384 /nfs/dbraw/zinc/30/83/84/1130308384.db2.gz LVTSEMGUYNMCPZ-FRRDWIJNSA-N 1 3 339.440 -0.319 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491079701 1130314643 /nfs/dbraw/zinc/31/46/43/1130314643.db2.gz DSVPHCVVNHXEKG-GRYCIOLGSA-N 1 3 325.413 -0.708 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216502431 1130523020 /nfs/dbraw/zinc/52/30/20/1130523020.db2.gz AETHLWPZEZTLJC-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216494580 1130523250 /nfs/dbraw/zinc/52/32/50/1130523250.db2.gz NVFRBMUDZDBQDL-VXGBXAGGSA-N 1 3 327.429 -0.650 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216494580 1130523258 /nfs/dbraw/zinc/52/32/58/1130523258.db2.gz NVFRBMUDZDBQDL-VXGBXAGGSA-N 1 3 327.429 -0.650 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557673 1130528340 /nfs/dbraw/zinc/52/83/40/1130528340.db2.gz HCIRTCYNVUKYGT-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557673 1130528348 /nfs/dbraw/zinc/52/83/48/1130528348.db2.gz HCIRTCYNVUKYGT-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO CN(CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O)C1CCC1 ZINC001413975644 1131162204 /nfs/dbraw/zinc/16/22/04/1131162204.db2.gz UNMUSSWBCUHZQQ-NWANDNLSSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O)C1CCC1 ZINC001413975644 1131162209 /nfs/dbraw/zinc/16/22/09/1131162209.db2.gz UNMUSSWBCUHZQQ-NWANDNLSSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCN1CCC([NH3+])CC1 ZINC001358111140 1131167006 /nfs/dbraw/zinc/16/70/06/1131167006.db2.gz HUKITPJHOVNBQS-KRWDZBQOSA-N 1 3 333.480 -0.015 20 0 EBADHO C[C@@H](C(=O)N1CCNCCN(C(=O)[C@H](C)[NH+](C)C)CC1)N(C)C ZINC001358183228 1131170821 /nfs/dbraw/zinc/17/08/21/1131170821.db2.gz MXMJMMXZCOUYQX-KBPBESRZSA-N 1 3 327.473 -0.853 20 0 EBADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC001364220453 1132242400 /nfs/dbraw/zinc/24/24/00/1132242400.db2.gz QJIYMCUQNGFSDK-OAGGEKHMSA-N 1 3 341.500 -0.281 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001364448722 1132320151 /nfs/dbraw/zinc/32/01/51/1132320151.db2.gz LDMUMEKVDWGACK-MGPQQGTHSA-N 1 3 331.482 -0.381 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001365854347 1132834630 /nfs/dbraw/zinc/83/46/30/1132834630.db2.gz YRUBILQNYBUPKM-HAQNSBGRSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926603 1132890677 /nfs/dbraw/zinc/89/06/77/1132890677.db2.gz JZTYUWVHZDGBSA-QWHCGFSZSA-N 1 3 341.456 -0.119 20 0 EBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)N(C)C ZINC001366061156 1132985656 /nfs/dbraw/zinc/98/56/56/1132985656.db2.gz LGOPKQWYNYNSDJ-LSDHHAIUSA-N 1 3 340.468 -0.330 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001366091176 1132998005 /nfs/dbraw/zinc/99/80/05/1132998005.db2.gz QSTIZDOGGRYROA-HOTGVXAUSA-N 1 3 345.447 -0.018 20 0 EBADHO C[C@H](N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)Nc1ncccn1 ZINC001366125180 1133016967 /nfs/dbraw/zinc/01/69/67/1133016967.db2.gz QPWPIKFDDDCQBZ-AVGNSLFASA-N 1 3 334.424 -0.008 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001366276215 1133080672 /nfs/dbraw/zinc/08/06/72/1133080672.db2.gz KGMGPNGKPGHMFS-KBPBESRZSA-N 1 3 325.457 -0.021 20 0 EBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)N(C)C ZINC001366814528 1133304379 /nfs/dbraw/zinc/30/43/79/1133304379.db2.gz IVJCGKHFPSIMRL-QWHCGFSZSA-N 1 3 343.472 -0.003 20 0 EBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367419312 1133585413 /nfs/dbraw/zinc/58/54/13/1133585413.db2.gz ZPHSDXDZNHICEC-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367618364 1133700670 /nfs/dbraw/zinc/70/06/70/1133700670.db2.gz CYWQNWYSBFJGJQ-HOCLYGCPSA-N 1 3 338.452 -0.462 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001367624742 1133710897 /nfs/dbraw/zinc/71/08/97/1133710897.db2.gz BYWSSBDZBKUEAY-UONOGXRCSA-N 1 3 326.441 -0.792 20 0 EBADHO O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001367624740 1133711442 /nfs/dbraw/zinc/71/14/42/1133711442.db2.gz BYWSSBDZBKUEAY-KBPBESRZSA-N 1 3 326.441 -0.792 20 0 EBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001367660836 1133733897 /nfs/dbraw/zinc/73/38/97/1133733897.db2.gz UQOZKUGWXPOABC-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](CNCC(=O)NC[C@H]1CCOC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367695844 1133750309 /nfs/dbraw/zinc/75/03/09/1133750309.db2.gz MPOUAMSCHZFQPO-ZIAGYGMSSA-N 1 3 340.468 -0.425 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001367754869 1133772323 /nfs/dbraw/zinc/77/23/23/1133772323.db2.gz GSRROFFJGFLEKQ-SQWLQELKSA-N 1 3 342.484 -0.086 20 0 EBADHO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001368251503 1134031267 /nfs/dbraw/zinc/03/12/67/1134031267.db2.gz ZLJAWCYIAOHUCN-WMLDXEAASA-N 1 3 338.452 -0.840 20 0 EBADHO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001368251503 1134031270 /nfs/dbraw/zinc/03/12/70/1134031270.db2.gz ZLJAWCYIAOHUCN-WMLDXEAASA-N 1 3 338.452 -0.840 20 0 EBADHO COCCN1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368276336 1134087709 /nfs/dbraw/zinc/08/77/09/1134087709.db2.gz KLMJYQVXNCEWOK-MRXNPFEDSA-N 1 3 329.441 -0.703 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368350405 1134159281 /nfs/dbraw/zinc/15/92/81/1134159281.db2.gz KQDXWLNLTAXSOT-RYUDHWBXSA-N 1 3 327.429 -0.794 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001368393287 1134195920 /nfs/dbraw/zinc/19/59/20/1134195920.db2.gz CUNAHDDPJWCAKB-CABCVRRESA-N 1 3 340.468 -0.450 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001368393287 1134195922 /nfs/dbraw/zinc/19/59/22/1134195922.db2.gz CUNAHDDPJWCAKB-CABCVRRESA-N 1 3 340.468 -0.450 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC)C2)C1 ZINC001368502757 1134255385 /nfs/dbraw/zinc/25/53/85/1134255385.db2.gz DZGCNGWUVGDXGW-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC)C2)C1 ZINC001368502757 1134255389 /nfs/dbraw/zinc/25/53/89/1134255389.db2.gz DZGCNGWUVGDXGW-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC)C2)C1 ZINC001368502759 1134255536 /nfs/dbraw/zinc/25/55/36/1134255536.db2.gz DZGCNGWUVGDXGW-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC)C2)C1 ZINC001368502759 1134255540 /nfs/dbraw/zinc/25/55/40/1134255540.db2.gz DZGCNGWUVGDXGW-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523286 1134273996 /nfs/dbraw/zinc/27/39/96/1134273996.db2.gz XLSRKVKNAIVBGF-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001368532621 1134278869 /nfs/dbraw/zinc/27/88/69/1134278869.db2.gz AXQHUBOLMFVOGN-OKILXGFUSA-N 1 3 325.457 -0.164 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001368569430 1134295536 /nfs/dbraw/zinc/29/55/36/1134295536.db2.gz AGRSGTZVBCEENS-GVXVVHGQSA-N 1 3 327.429 -0.748 20 0 EBADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCOCC1)N(C)C ZINC001368636128 1134347616 /nfs/dbraw/zinc/34/76/16/1134347616.db2.gz IGSFPRJJKRLSRM-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001368673833 1134370616 /nfs/dbraw/zinc/37/06/16/1134370616.db2.gz NQMQGPMKWUCSEE-UPJWGTAASA-N 1 3 339.440 -0.650 20 0 EBADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001368673833 1134370623 /nfs/dbraw/zinc/37/06/23/1134370623.db2.gz NQMQGPMKWUCSEE-UPJWGTAASA-N 1 3 339.440 -0.650 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001368683027 1134380546 /nfs/dbraw/zinc/38/05/46/1134380546.db2.gz QATXAIGKGMFUHQ-CQSZACIVSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001368684083 1134383132 /nfs/dbraw/zinc/38/31/32/1134383132.db2.gz RZNAGEKNDDILOC-STQMWFEESA-N 1 3 328.457 -0.611 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001368685462 1134385127 /nfs/dbraw/zinc/38/51/27/1134385127.db2.gz HYGHDMNEFGUKSA-MELADBBJSA-N 1 3 340.468 -0.466 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC001368685462 1134385132 /nfs/dbraw/zinc/38/51/32/1134385132.db2.gz HYGHDMNEFGUKSA-MELADBBJSA-N 1 3 340.468 -0.466 20 0 EBADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001368777678 1134435782 /nfs/dbraw/zinc/43/57/82/1134435782.db2.gz PGGJRPCXCOXXBL-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H](NCC(=O)N(C)C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158614 1134599276 /nfs/dbraw/zinc/59/92/76/1134599276.db2.gz NAJGTBTYPRKAJA-UONOGXRCSA-N 1 3 338.452 -0.624 20 0 EBADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001369158241 1134599454 /nfs/dbraw/zinc/59/94/54/1134599454.db2.gz VWMDSJPUNHKLQC-OCCSQVGLSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001369248771 1134629080 /nfs/dbraw/zinc/62/90/80/1134629080.db2.gz BSDUKFPNERLVMX-WDEREUQCSA-N 1 3 327.429 -0.509 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369278346 1134638978 /nfs/dbraw/zinc/63/89/78/1134638978.db2.gz QMTCQDNYNVNMEA-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001369280581 1134639092 /nfs/dbraw/zinc/63/90/92/1134639092.db2.gz FRPXEJRLYCYFFA-ZDUSSCGKSA-N 1 3 349.497 -0.422 20 0 EBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001369293390 1134642619 /nfs/dbraw/zinc/64/26/19/1134642619.db2.gz MTDWEIRXYOLWQD-VXGBXAGGSA-N 1 3 329.445 -0.391 20 0 EBADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CCS(=O)(=O)CC1)N(C)C ZINC001369364951 1134719831 /nfs/dbraw/zinc/71/98/31/1134719831.db2.gz OHPHPJAZLGDJHL-KGLIPLIRSA-N 1 3 349.497 -0.782 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001369376865 1134735397 /nfs/dbraw/zinc/73/53/97/1134735397.db2.gz XQEHXEWMIMADFS-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1 ZINC001369382335 1134743384 /nfs/dbraw/zinc/74/33/84/1134743384.db2.gz POGMZPCVYDAYLW-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1 ZINC001369382335 1134743389 /nfs/dbraw/zinc/74/33/89/1134743389.db2.gz POGMZPCVYDAYLW-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1 ZINC001369382340 1134743495 /nfs/dbraw/zinc/74/34/95/1134743495.db2.gz POGMZPCVYDAYLW-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCN2CCCC2=O)C1 ZINC001369382340 1134743500 /nfs/dbraw/zinc/74/35/00/1134743500.db2.gz POGMZPCVYDAYLW-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455341 1134794159 /nfs/dbraw/zinc/79/41/59/1134794159.db2.gz IHGQFMRVJJYQAZ-NWDGAFQWSA-N 1 3 341.456 -0.263 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369467181 1134813958 /nfs/dbraw/zinc/81/39/58/1134813958.db2.gz LJVHWVRPSJFFKK-IAGOWNOFSA-N 1 3 349.479 -0.021 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001369476312 1134836504 /nfs/dbraw/zinc/83/65/04/1134836504.db2.gz ZJCDOJXZWDSQNE-OAHLLOKOSA-N 1 3 342.484 -0.348 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477698 1134840099 /nfs/dbraw/zinc/84/00/99/1134840099.db2.gz VWLUELZHMPGENV-MLGOLLRUSA-N 1 3 346.447 -0.646 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001369477698 1134840108 /nfs/dbraw/zinc/84/01/08/1134840108.db2.gz VWLUELZHMPGENV-MLGOLLRUSA-N 1 3 346.447 -0.646 20 0 EBADHO C[C@H](NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478629 1134843347 /nfs/dbraw/zinc/84/33/47/1134843347.db2.gz ALLPFCMTBIMRFL-STQMWFEESA-N 1 3 330.473 -0.350 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001369484223 1134852696 /nfs/dbraw/zinc/85/26/96/1134852696.db2.gz PTKVKORFRYPFLZ-JSGCOSHPSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001370728251 1135556330 /nfs/dbraw/zinc/55/63/30/1135556330.db2.gz HSERAVWKMZYWSH-KBPBESRZSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001370728251 1135556334 /nfs/dbraw/zinc/55/63/34/1135556334.db2.gz HSERAVWKMZYWSH-KBPBESRZSA-N 1 3 340.468 -0.594 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001370811871 1135653402 /nfs/dbraw/zinc/65/34/02/1135653402.db2.gz YZIVYZJMZXHBHH-RYUDHWBXSA-N 1 3 325.413 -0.896 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CCOCC1 ZINC001371474868 1135931336 /nfs/dbraw/zinc/93/13/36/1135931336.db2.gz OQHQYZAIVQDTGA-ZDUSSCGKSA-N 1 3 328.457 -0.284 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001371512934 1135942279 /nfs/dbraw/zinc/94/22/79/1135942279.db2.gz PPXWIBILENUNEX-RYUDHWBXSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001371512934 1135942280 /nfs/dbraw/zinc/94/22/80/1135942280.db2.gz PPXWIBILENUNEX-RYUDHWBXSA-N 1 3 325.413 -0.755 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001371533824 1135957671 /nfs/dbraw/zinc/95/76/71/1135957671.db2.gz BAWAXWZKPHSCMI-KFWWJZLASA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001371533824 1135957673 /nfs/dbraw/zinc/95/76/73/1135957673.db2.gz BAWAXWZKPHSCMI-KFWWJZLASA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001371543517 1135964581 /nfs/dbraw/zinc/96/45/81/1135964581.db2.gz FHKQTVCGLDSQGL-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001371567843 1135972034 /nfs/dbraw/zinc/97/20/34/1135972034.db2.gz OPULIWHBCXGVHH-NSHDSACASA-N 1 3 325.413 -0.896 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001371835835 1136030117 /nfs/dbraw/zinc/03/01/17/1136030117.db2.gz DHYFFDGZJZLFEW-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001373971173 1136596048 /nfs/dbraw/zinc/59/60/48/1136596048.db2.gz WNGGOSIWWHEPSP-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001373971173 1136596049 /nfs/dbraw/zinc/59/60/49/1136596049.db2.gz WNGGOSIWWHEPSP-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC(=O)NC(N)=O ZINC001374112314 1136624384 /nfs/dbraw/zinc/62/43/84/1136624384.db2.gz NDTCSCHDNYDWTF-GFCCVEGCSA-N 1 3 349.435 -0.101 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001374323542 1136673784 /nfs/dbraw/zinc/67/37/84/1136673784.db2.gz CPJBRJUYZCGBQM-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CCNS(C)(=O)=O)C1 ZINC001374560704 1136719100 /nfs/dbraw/zinc/71/91/00/1136719100.db2.gz DUNGHRGOYKNDAL-ZIAGYGMSSA-N 1 3 346.497 -0.590 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C ZINC001374617793 1136752105 /nfs/dbraw/zinc/75/21/05/1136752105.db2.gz WONPAWSONIHAGG-ZIAGYGMSSA-N 1 3 342.484 -0.158 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C ZINC001374617793 1136752106 /nfs/dbraw/zinc/75/21/06/1136752106.db2.gz WONPAWSONIHAGG-ZIAGYGMSSA-N 1 3 342.484 -0.158 20 0 EBADHO CN1CC[C@@H](NC[C@@H](O)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001374680651 1136797714 /nfs/dbraw/zinc/79/77/14/1136797714.db2.gz BQLYVLBGYXFASC-ZIAGYGMSSA-N 1 3 326.441 -0.840 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)C1(N(C)C)CCC1 ZINC001374769550 1136827303 /nfs/dbraw/zinc/82/73/03/1136827303.db2.gz DJOLDXALBOIWPD-KGLIPLIRSA-N 1 3 340.468 -0.140 20 0 EBADHO O[C@@H]1CCN(CCNc2cnc(NCC[N@@H+]3CC[C@@H](O)C3)cn2)C1 ZINC000624683725 375929401 /nfs/dbraw/zinc/92/94/01/375929401.db2.gz ZZSAIJIUNNXAGG-ZIAGYGMSSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@@H]1CCN(CCNc2cnc(NCC[N@H+]3CC[C@@H](O)C3)cn2)C1 ZINC000624683725 375929404 /nfs/dbraw/zinc/92/94/04/375929404.db2.gz ZZSAIJIUNNXAGG-ZIAGYGMSSA-N 1 3 336.440 -0.566 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000642768873 376088233 /nfs/dbraw/zinc/08/82/33/376088233.db2.gz MXEMNAXYHRFHSX-ZWUHOBOKSA-N 1 3 340.493 -0.264 20 0 EBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000642782927 376121257 /nfs/dbraw/zinc/12/12/57/376121257.db2.gz GWHQDLCQQVLADG-CYBMUJFWSA-N 1 3 336.436 -0.251 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)CCO1 ZINC000642780499 376119848 /nfs/dbraw/zinc/11/98/48/376119848.db2.gz HXSVNJFIZXMBHP-XJKSGUPXSA-N 1 3 348.447 -0.061 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCSc1nnnn1C ZINC000557026482 376157354 /nfs/dbraw/zinc/15/73/54/376157354.db2.gz CNQSSDQMMRCQJB-UHFFFAOYSA-N 1 3 329.474 -0.356 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565882980 376226822 /nfs/dbraw/zinc/22/68/22/376226822.db2.gz XSPGTGYXHRWWFO-CABCVRRESA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565882980 376226825 /nfs/dbraw/zinc/22/68/25/376226825.db2.gz XSPGTGYXHRWWFO-CABCVRRESA-N 1 3 339.484 -0.676 20 0 EBADHO CNS(=O)(=O)CCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000408033296 376290769 /nfs/dbraw/zinc/29/07/69/376290769.db2.gz KEUDRXKXIZFUQV-CABCVRRESA-N 1 3 332.514 -0.117 20 0 EBADHO CNS(=O)(=O)CCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000408033296 376290772 /nfs/dbraw/zinc/29/07/72/376290772.db2.gz KEUDRXKXIZFUQV-CABCVRRESA-N 1 3 332.514 -0.117 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000564933468 376411127 /nfs/dbraw/zinc/41/11/27/376411127.db2.gz ABXNZSUMDAEWHN-AWEZNQCLSA-N 1 3 337.472 -0.370 20 0 EBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513090 376858022 /nfs/dbraw/zinc/85/80/22/376858022.db2.gz TZYBFIHEBZNWHW-RWMBFGLXSA-N 1 3 325.457 -0.084 20 0 EBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513093 376858335 /nfs/dbraw/zinc/85/83/35/376858335.db2.gz TZYBFIHEBZNWHW-XQQFMLRXSA-N 1 3 325.457 -0.084 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000561850312 376884768 /nfs/dbraw/zinc/88/47/68/376884768.db2.gz NIOGICFSTSWNRZ-ZDUSSCGKSA-N 1 3 338.456 -0.451 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1=O ZINC000635933486 377140715 /nfs/dbraw/zinc/14/07/15/377140715.db2.gz IIRIKXKEMOHBQD-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000635933486 377140724 /nfs/dbraw/zinc/14/07/24/377140724.db2.gz IIRIKXKEMOHBQD-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000569957973 377188097 /nfs/dbraw/zinc/18/80/97/377188097.db2.gz YIOODFHFNJSFLC-RBSFLKMASA-N 1 3 338.452 -0.352 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000570030474 377199817 /nfs/dbraw/zinc/19/98/17/377199817.db2.gz OBYZLEWBOSATPM-CQSZACIVSA-N 1 3 327.473 -0.804 20 0 EBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@@H+]1C ZINC000572790743 377292423 /nfs/dbraw/zinc/29/24/23/377292423.db2.gz LLIFKSRTOYOFEH-LSDHHAIUSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@H+]1C ZINC000572790743 377292433 /nfs/dbraw/zinc/29/24/33/377292433.db2.gz LLIFKSRTOYOFEH-LSDHHAIUSA-N 1 3 341.500 -0.463 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627372086 377510350 /nfs/dbraw/zinc/51/03/50/377510350.db2.gz BTZGCADWUODRAT-CYBMUJFWSA-N 1 3 326.441 -0.399 20 0 EBADHO COC(=O)[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999887 377869144 /nfs/dbraw/zinc/86/91/44/377869144.db2.gz FUFAODDBMWXKHV-MJBXVCDLSA-N 1 3 337.420 -0.194 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879655 377967561 /nfs/dbraw/zinc/96/75/61/377967561.db2.gz FTKXHFXRGNSBLL-RBSFLKMASA-N 1 3 336.436 -0.600 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CCN2C1=O ZINC000594879655 377967565 /nfs/dbraw/zinc/96/75/65/377967565.db2.gz FTKXHFXRGNSBLL-RBSFLKMASA-N 1 3 336.436 -0.600 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595270604 377987538 /nfs/dbraw/zinc/98/75/38/377987538.db2.gz FPOCBJDKXGSUQF-KBUPBQIOSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595270604 377987544 /nfs/dbraw/zinc/98/75/44/377987544.db2.gz FPOCBJDKXGSUQF-KBUPBQIOSA-N 1 3 335.452 -0.043 20 0 EBADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595271234 377987794 /nfs/dbraw/zinc/98/77/94/377987794.db2.gz JLJQTHGBTOMTOD-LSDHHAIUSA-N 1 3 331.420 -0.141 20 0 EBADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595271228 377988006 /nfs/dbraw/zinc/98/80/06/377988006.db2.gz JLJQTHGBTOMTOD-CABCVRRESA-N 1 3 331.420 -0.141 20 0 EBADHO COC(=O)c1cnn(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000599346596 378228765 /nfs/dbraw/zinc/22/87/65/378228765.db2.gz LFPOUUQUYIDNSD-UHFFFAOYSA-N 1 3 325.413 -0.379 20 0 EBADHO CCOC[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000563147739 378453526 /nfs/dbraw/zinc/45/35/26/378453526.db2.gz YEADCRNEKSFEDB-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000637129020 378500027 /nfs/dbraw/zinc/50/00/27/378500027.db2.gz DOXGZGZLMVLYEI-GJZGRUSLSA-N 1 3 340.468 -0.378 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000563648783 379066555 /nfs/dbraw/zinc/06/65/55/379066555.db2.gz QBIFIQZQALJZPI-AWEZNQCLSA-N 1 3 327.473 -0.804 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000627291288 379121880 /nfs/dbraw/zinc/12/18/80/379121880.db2.gz PSKPOPWQXFTSTE-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000629793796 379138781 /nfs/dbraw/zinc/13/87/81/379138781.db2.gz LSRQARBHAAYGSQ-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627296230 379143629 /nfs/dbraw/zinc/14/36/29/379143629.db2.gz ALZHUSQSMUHFIB-CVEARBPZSA-N 1 3 346.431 -0.653 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000340017406 379150024 /nfs/dbraw/zinc/15/00/24/379150024.db2.gz XMZYASUZWOXVAU-CHWSQXEVSA-N 1 3 337.472 -0.354 20 0 EBADHO CN1CCN(CC(=O)NCC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000607190579 379202758 /nfs/dbraw/zinc/20/27/58/379202758.db2.gz WOWBSZHNHPLOIG-UHFFFAOYSA-N 1 3 325.501 -0.376 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000458443769 379223223 /nfs/dbraw/zinc/22/32/23/379223223.db2.gz UIGMMUXPGWPEDL-LSDHHAIUSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000458443769 379223234 /nfs/dbraw/zinc/22/32/34/379223234.db2.gz UIGMMUXPGWPEDL-LSDHHAIUSA-N 1 3 328.457 -0.147 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCOCC1 ZINC000607229129 379244397 /nfs/dbraw/zinc/24/43/97/379244397.db2.gz DOMKFSPJYPSBJG-UHFFFAOYSA-N 1 3 343.472 -0.630 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000627306391 379279711 /nfs/dbraw/zinc/27/97/11/379279711.db2.gz YIFWDELPDDBOPB-GXTWGEPZSA-N 1 3 349.435 -0.495 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622027455 379397216 /nfs/dbraw/zinc/39/72/16/379397216.db2.gz CLHRASCEMIIOFL-WMLDXEAASA-N 1 3 339.484 -0.722 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028714 379399995 /nfs/dbraw/zinc/39/99/95/379399995.db2.gz VBNFFHAKAMWEQJ-CJNGLKHVSA-N 1 3 326.441 -0.637 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000623968688 379495405 /nfs/dbraw/zinc/49/54/05/379495405.db2.gz KNWYJXORMUXDPZ-LBPRGKRZSA-N 1 3 337.472 -0.496 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000627428588 379591895 /nfs/dbraw/zinc/59/18/95/379591895.db2.gz JGQDULATJFXWJK-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627425690 379592441 /nfs/dbraw/zinc/59/24/41/379592441.db2.gz XFAYCLATZFUNLO-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000627427408 379592946 /nfs/dbraw/zinc/59/29/46/379592946.db2.gz DNAVPTISSZGVRP-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000627376813 379571576 /nfs/dbraw/zinc/57/15/76/379571576.db2.gz OKRONOYDQPAVDN-CYBMUJFWSA-N 1 3 326.441 -0.553 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCCO1 ZINC000642190885 379733817 /nfs/dbraw/zinc/73/38/17/379733817.db2.gz AKANHFKKDKJSLP-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000642190882 379734513 /nfs/dbraw/zinc/73/45/13/379734513.db2.gz AKANHFKKDKJSLP-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CO[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000564191380 379798994 /nfs/dbraw/zinc/79/89/94/379798994.db2.gz RSIHETKTZBUIDQ-UONOGXRCSA-N 1 3 342.484 -0.132 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627173780 379820756 /nfs/dbraw/zinc/82/07/56/379820756.db2.gz FFQNUDKWLZNLKF-JKSUJKDBSA-N 1 3 341.500 -0.110 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627173779 379821215 /nfs/dbraw/zinc/82/12/15/379821215.db2.gz FFQNUDKWLZNLKF-HZPDHXFCSA-N 1 3 341.500 -0.110 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000633086359 379930609 /nfs/dbraw/zinc/93/06/09/379930609.db2.gz QEEKTWPKPZRISX-RBSFLKMASA-N 1 3 340.468 -0.391 20 0 EBADHO CN1CCN(CC2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633083972 379930836 /nfs/dbraw/zinc/93/08/36/379930836.db2.gz XZSRPQGWUOJQFJ-HOTGVXAUSA-N 1 3 349.479 -0.955 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000540960316 380020734 /nfs/dbraw/zinc/02/07/34/380020734.db2.gz LTPCYDNUAVEWCK-UHFFFAOYSA-N 1 3 339.444 -0.726 20 0 EBADHO CCN1CCN(CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354730808 380089828 /nfs/dbraw/zinc/08/98/28/380089828.db2.gz ASRDFGYFLUPMIP-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CN2CC[NH2+]CC2)c1 ZINC000638086770 380110734 /nfs/dbraw/zinc/11/07/34/380110734.db2.gz WGMVXXGNGPLCOJ-UHFFFAOYSA-N 1 3 347.463 -0.501 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638098967 380130237 /nfs/dbraw/zinc/13/02/37/380130237.db2.gz QVLFXSINPYUIMF-PBHICJAKSA-N 1 3 340.468 -0.234 20 0 EBADHO CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000552988691 380312890 /nfs/dbraw/zinc/31/28/90/380312890.db2.gz OIEKKHYMNWGFFQ-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565962404 380441383 /nfs/dbraw/zinc/44/13/83/380441383.db2.gz QFIQLVKMLGVRAA-AWEZNQCLSA-N 1 3 331.420 -0.108 20 0 EBADHO C[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000362564382 380411689 /nfs/dbraw/zinc/41/16/89/380411689.db2.gz KERNBHIAQCTRIQ-CABCVRRESA-N 1 3 349.483 -0.184 20 0 EBADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000567337454 380511548 /nfs/dbraw/zinc/51/15/48/380511548.db2.gz VDBRPRNZFAPASD-HNNXBMFYSA-N 1 3 339.484 -0.674 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340489676 380515786 /nfs/dbraw/zinc/51/57/86/380515786.db2.gz ZELLWTFVLFXTTK-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340489676 380515789 /nfs/dbraw/zinc/51/57/89/380515789.db2.gz ZELLWTFVLFXTTK-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000567881084 380553882 /nfs/dbraw/zinc/55/38/82/380553882.db2.gz SJSPVVZDQNPHAA-INIZCTEOSA-N 1 3 348.447 -0.235 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109013 380575267 /nfs/dbraw/zinc/57/52/67/380575267.db2.gz WKJCODWJQGRFOU-DAYGRLMNSA-N 1 3 328.416 -0.312 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000569324101 380639231 /nfs/dbraw/zinc/63/92/31/380639231.db2.gz GPIHMBNMCHSOLW-OAHLLOKOSA-N 1 3 341.500 -0.556 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000569095816 380629065 /nfs/dbraw/zinc/62/90/65/380629065.db2.gz ADEMXNIRBYEXHZ-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000371724610 380669921 /nfs/dbraw/zinc/66/99/21/380669921.db2.gz SEZGDNRRBSQAAU-SOUVJXGZSA-N 1 3 326.441 -0.131 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000371724610 380669923 /nfs/dbraw/zinc/66/99/23/380669923.db2.gz SEZGDNRRBSQAAU-SOUVJXGZSA-N 1 3 326.441 -0.131 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNc2ccncc2)C1 ZINC000341161636 380675108 /nfs/dbraw/zinc/67/51/08/380675108.db2.gz KQLWLBOLZFUXRF-CQSZACIVSA-N 1 3 348.451 -0.198 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCNc2ccncc2)C1 ZINC000341161636 380675114 /nfs/dbraw/zinc/67/51/14/380675114.db2.gz KQLWLBOLZFUXRF-CQSZACIVSA-N 1 3 348.451 -0.198 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000574040552 380698181 /nfs/dbraw/zinc/69/81/81/380698181.db2.gz OBODDBYQUPVSBG-STQMWFEESA-N 1 3 327.473 -0.629 20 0 EBADHO CC(C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)N1CCN(C)CC1 ZINC000121161896 380705318 /nfs/dbraw/zinc/70/53/18/380705318.db2.gz LHHUOCKXNQKOIJ-NVXWUHKLSA-N 1 3 343.516 -0.130 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000574324319 380708283 /nfs/dbraw/zinc/70/82/83/380708283.db2.gz XGUIWFCSEFJKHX-ZIAGYGMSSA-N 1 3 327.473 -0.676 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000576123237 380758393 /nfs/dbraw/zinc/75/83/93/380758393.db2.gz ALFQPRXODSMNEC-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000576302242 380766649 /nfs/dbraw/zinc/76/66/49/380766649.db2.gz IDHDXFMCCVLPMK-UHFFFAOYSA-N 1 3 341.500 -0.461 20 0 EBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000577373663 380820013 /nfs/dbraw/zinc/82/00/13/380820013.db2.gz WRQXOTNHYVWQFA-LSDHHAIUSA-N 1 3 337.468 -0.920 20 0 EBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000577373663 380820017 /nfs/dbraw/zinc/82/00/17/380820017.db2.gz WRQXOTNHYVWQFA-LSDHHAIUSA-N 1 3 337.468 -0.920 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000577660324 380835529 /nfs/dbraw/zinc/83/55/29/380835529.db2.gz ZNJFFSKPYZDGTC-HUUCEWRRSA-N 1 3 340.468 -0.378 20 0 EBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000583692604 380842039 /nfs/dbraw/zinc/84/20/39/380842039.db2.gz PMTIIGIHRRGREC-AWEZNQCLSA-N 1 3 346.435 -0.312 20 0 EBADHO C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000417428943 380886739 /nfs/dbraw/zinc/88/67/39/380886739.db2.gz MDEHQPRFBQKODE-MGPQQGTHSA-N 1 3 325.457 -0.082 20 0 EBADHO C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCN1 ZINC000417435801 380890430 /nfs/dbraw/zinc/89/04/30/380890430.db2.gz ZHAZSDUMZCIRBS-ZIAGYGMSSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1 ZINC000417435801 380890439 /nfs/dbraw/zinc/89/04/39/380890439.db2.gz ZHAZSDUMZCIRBS-ZIAGYGMSSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1 ZINC000417435801 380890442 /nfs/dbraw/zinc/89/04/42/380890442.db2.gz ZHAZSDUMZCIRBS-ZIAGYGMSSA-N 1 3 325.457 -0.068 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000376380724 380909326 /nfs/dbraw/zinc/90/93/26/380909326.db2.gz BWGGLOWOYMXXHA-ZDUSSCGKSA-N 1 3 337.472 -0.140 20 0 EBADHO C[NH2+]CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418326894 381039263 /nfs/dbraw/zinc/03/92/63/381039263.db2.gz LQWQTAJJVWURFD-HNNXBMFYSA-N 1 3 335.452 -0.206 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000581723907 381098105 /nfs/dbraw/zinc/09/81/05/381098105.db2.gz FARWNRVHMLKQGC-CQSZACIVSA-N 1 3 338.456 -0.160 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@@]1(C)C[NH3+] ZINC000584714900 381202742 /nfs/dbraw/zinc/20/27/42/381202742.db2.gz NFGMWYZVOAJIIM-RHSMWYFYSA-N 1 3 341.500 -0.619 20 0 EBADHO COC[C@]1(CNC(=O)NC[C@H]2CCCCN2CCO)CCC[NH2+]1 ZINC000418640990 381253569 /nfs/dbraw/zinc/25/35/69/381253569.db2.gz RMCWAFQVGCUTAS-GDBMZVCRSA-N 1 3 328.457 -0.099 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418756468 381261072 /nfs/dbraw/zinc/26/10/72/381261072.db2.gz GZUVVKBIZILHBQ-LSDHHAIUSA-N 1 3 327.473 -0.358 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418760231 381263978 /nfs/dbraw/zinc/26/39/78/381263978.db2.gz JWKIRLTXNJAJOV-CABCVRRESA-N 1 3 327.473 -0.718 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418589370 381250034 /nfs/dbraw/zinc/25/00/34/381250034.db2.gz AMMBJBYYQQGGQU-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883881 381330535 /nfs/dbraw/zinc/33/05/35/381330535.db2.gz VTOYAWRYFVWOIT-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@@H]2CNCCO2)([NH+](C)C)C1 ZINC000418925024 381340972 /nfs/dbraw/zinc/34/09/72/381340972.db2.gz PVYGSMQEIHIIBU-JKIFEVAISA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418863251 381314692 /nfs/dbraw/zinc/31/46/92/381314692.db2.gz BLVWQHCEGRIUAQ-RBSFLKMASA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)N(C)Cc1ccccc1 ZINC000418953801 381348878 /nfs/dbraw/zinc/34/88/78/381348878.db2.gz VPHFCUYSYBTOND-ZBFHGGJFSA-N 1 3 348.447 -0.272 20 0 EBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026305 381356267 /nfs/dbraw/zinc/35/62/67/381356267.db2.gz NJDUEPZBPICSSW-LSDHHAIUSA-N 1 3 339.484 -0.756 20 0 EBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419133640 381388579 /nfs/dbraw/zinc/38/85/79/381388579.db2.gz GEAWEZXSYPULPU-AWEZNQCLSA-N 1 3 334.420 -0.197 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419164165 381390910 /nfs/dbraw/zinc/39/09/10/381390910.db2.gz LNEXKMQZMIIPLB-GOEBONIOSA-N 1 3 348.447 -0.143 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419164167 381391510 /nfs/dbraw/zinc/39/15/10/381391510.db2.gz LNEXKMQZMIIPLB-ZBFHGGJFSA-N 1 3 348.447 -0.143 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145588 381397653 /nfs/dbraw/zinc/39/76/53/381397653.db2.gz GTCKAMRSOXVUEB-KBPBESRZSA-N 1 3 326.441 -0.591 20 0 EBADHO CN1CCN(CCCNC(=O)C(=O)NCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419419065 381431651 /nfs/dbraw/zinc/43/16/51/381431651.db2.gz LQRPGWYGEMAKQW-MRXNPFEDSA-N 1 3 347.463 -0.444 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419455349 381441810 /nfs/dbraw/zinc/44/18/10/381441810.db2.gz WNUYJVWSGAVJPF-RRFJBIMHSA-N 1 3 340.468 -0.343 20 0 EBADHO C[C@@H](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCCCC1 ZINC000419719821 381478691 /nfs/dbraw/zinc/47/86/91/381478691.db2.gz XUXMWTJKIQUQMQ-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCSC1 ZINC000419593265 381461056 /nfs/dbraw/zinc/46/10/56/381461056.db2.gz XUBUJOAFIMAVNR-IUODEOHRSA-N 1 3 328.482 -0.202 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419865209 381512819 /nfs/dbraw/zinc/51/28/19/381512819.db2.gz JMGJKISBHBQKAE-CABCVRRESA-N 1 3 337.468 -0.907 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419783970 381494513 /nfs/dbraw/zinc/49/45/13/381494513.db2.gz WCMIKOCWUQRGLU-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(CCN1CCN(C(=O)C(=O)NCC[NH3+])CC1)Cc1ccccc1 ZINC000419820827 381498827 /nfs/dbraw/zinc/49/88/27/381498827.db2.gz SKJDFYQOMXIMSM-UHFFFAOYSA-N 1 3 347.463 -0.663 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420192457 381566075 /nfs/dbraw/zinc/56/60/75/381566075.db2.gz BIALDHGYLXUDQQ-HUUCEWRRSA-N 1 3 338.452 -0.432 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643482848 381607867 /nfs/dbraw/zinc/60/78/67/381607867.db2.gz CQWHGBXHEQUFAO-ZIAGYGMSSA-N 1 3 328.457 -0.393 20 0 EBADHO Cn1c2ncn(CCN3CCC(C[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000332309827 381778085 /nfs/dbraw/zinc/77/80/85/381778085.db2.gz XBTYJAUQBLLNRU-UHFFFAOYSA-N 1 3 348.451 -0.293 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000352087558 381870181 /nfs/dbraw/zinc/87/01/81/381870181.db2.gz PGVQQYITFDJANK-HNNXBMFYSA-N 1 3 328.457 -0.297 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643500355 381906611 /nfs/dbraw/zinc/90/66/11/381906611.db2.gz IRUQDBOZHSQERS-KGLIPLIRSA-N 1 3 326.441 -0.496 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000643509656 381928075 /nfs/dbraw/zinc/92/80/75/381928075.db2.gz FGURADFZRWGPFA-MRXNPFEDSA-N 1 3 327.473 -0.865 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[C@H]1[NH3+] ZINC000643509781 381928163 /nfs/dbraw/zinc/92/81/63/381928163.db2.gz SPRKBGOXTSMCCJ-LSDHHAIUSA-N 1 3 341.500 -0.476 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000333774007 381956806 /nfs/dbraw/zinc/95/68/06/381956806.db2.gz CNBNYDPIBOYDBL-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000333729018 381952619 /nfs/dbraw/zinc/95/26/19/381952619.db2.gz VVFBYYFGQZAWAE-HNNXBMFYSA-N 1 3 335.452 -0.146 20 0 EBADHO CCN1CCC(NC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000639768560 382122648 /nfs/dbraw/zinc/12/26/48/382122648.db2.gz ZTKCTTLEQKDCRZ-KRWDZBQOSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000563946425 382093495 /nfs/dbraw/zinc/09/34/95/382093495.db2.gz BKDUUCRWMMCKOK-CABCVRRESA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC3CNC3)CC2)CC1 ZINC000563946667 382094469 /nfs/dbraw/zinc/09/44/69/382094469.db2.gz QCDFBZCAVGZUML-UHFFFAOYSA-N 1 3 337.468 -0.909 20 0 EBADHO CN(C)[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000105600182 382095120 /nfs/dbraw/zinc/09/51/20/382095120.db2.gz MNGRPWCRSQSPQI-ZIAGYGMSSA-N 1 3 326.441 -0.672 20 0 EBADHO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629561133 382223723 /nfs/dbraw/zinc/22/37/23/382223723.db2.gz QSFFBAHJMROCLN-HNNXBMFYSA-N 1 3 326.441 -0.887 20 0 EBADHO CN1CCCN(C(=O)CC(O)CC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000329087765 155205669 /nfs/dbraw/zinc/20/56/69/155205669.db2.gz HNZWVEZOCNOMRW-UHFFFAOYSA-N 1 3 340.468 -0.544 20 0 EBADHO CN1CCCN(C(=O)CC(O)CC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000329087765 155205672 /nfs/dbraw/zinc/20/56/72/155205672.db2.gz HNZWVEZOCNOMRW-UHFFFAOYSA-N 1 3 340.468 -0.544 20 0 EBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000187952715 154148925 /nfs/dbraw/zinc/14/89/25/154148925.db2.gz BKUHZPUFSQQVJZ-JKSUJKDBSA-N 1 3 348.447 -0.029 20 0 EBADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000261718850 154197932 /nfs/dbraw/zinc/19/79/32/154197932.db2.gz QLIRUIXNBPRNGT-ZDUSSCGKSA-N 1 3 329.404 -0.019 20 0 EBADHO [NH3+][C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCOCC1 ZINC000261868414 154203544 /nfs/dbraw/zinc/20/35/44/154203544.db2.gz SSKRYTABPKTZBU-INIZCTEOSA-N 1 3 338.452 -0.493 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000261980717 154207275 /nfs/dbraw/zinc/20/72/75/154207275.db2.gz HVTLNDXOQSHMOJ-CJNGLKHVSA-N 1 3 342.484 -0.363 20 0 EBADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000342698808 156052886 /nfs/dbraw/zinc/05/28/86/156052886.db2.gz HXYHMRHPGWBYJF-OCCSQVGLSA-N 1 3 336.440 -0.113 20 0 EBADHO NC(=O)N[C@H]1CCN(CCCCC[N@@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000342873066 156066419 /nfs/dbraw/zinc/06/64/19/156066419.db2.gz FDMWLRXSEBNFQL-STQMWFEESA-N 1 3 326.445 -0.358 20 0 EBADHO NC(=O)N[C@H]1CCN(CCCCC[N@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000342873066 156066422 /nfs/dbraw/zinc/06/64/22/156066422.db2.gz FDMWLRXSEBNFQL-STQMWFEESA-N 1 3 326.445 -0.358 20 0 EBADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CC(=O)[N-]C1=O ZINC000346127274 156387147 /nfs/dbraw/zinc/38/71/47/156387147.db2.gz XZTKVFSTLBEYKF-UHFFFAOYSA-N 1 3 327.429 -0.730 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000356500499 157070801 /nfs/dbraw/zinc/07/08/01/157070801.db2.gz DOSMFPZRDLNYFC-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000356500499 157070805 /nfs/dbraw/zinc/07/08/05/157070805.db2.gz DOSMFPZRDLNYFC-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000357787817 157175665 /nfs/dbraw/zinc/17/56/65/157175665.db2.gz BYGYMKPDUKYCNV-OAHLLOKOSA-N 1 3 339.484 -0.850 20 0 EBADHO CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000357787788 157176878 /nfs/dbraw/zinc/17/68/78/157176878.db2.gz BYGYMKPDUKYCNV-HNNXBMFYSA-N 1 3 339.484 -0.850 20 0 EBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000358727920 157274968 /nfs/dbraw/zinc/27/49/68/157274968.db2.gz ZDVPLURKTOSOEH-INIZCTEOSA-N 1 3 342.532 -0.243 20 0 EBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1CN(C)CCN1C ZINC000358727920 157274970 /nfs/dbraw/zinc/27/49/70/157274970.db2.gz ZDVPLURKTOSOEH-INIZCTEOSA-N 1 3 342.532 -0.243 20 0 EBADHO CN(CCCN(C)C(=O)NC[C@H]1CN(C)CCN1C)CC[NH+](C)C ZINC000358727920 157274972 /nfs/dbraw/zinc/27/49/72/157274972.db2.gz ZDVPLURKTOSOEH-INIZCTEOSA-N 1 3 342.532 -0.243 20 0 EBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@H](C)C1 ZINC000360273646 157369844 /nfs/dbraw/zinc/36/98/44/157369844.db2.gz TZWMCCARYGOMER-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCN(C)C)[C@H](C)C1 ZINC000360273646 157369846 /nfs/dbraw/zinc/36/98/46/157369846.db2.gz TZWMCCARYGOMER-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCSC1 ZINC000419583473 419017525 /nfs/dbraw/zinc/01/75/25/419017525.db2.gz LDZDOEAHIJTUQI-ZOWXZIJZSA-N 1 3 328.482 -0.074 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000662933569 419007255 /nfs/dbraw/zinc/00/72/55/419007255.db2.gz YTFQFYOUEJCPCW-AWEZNQCLSA-N 1 3 339.484 -0.580 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000647594196 419120755 /nfs/dbraw/zinc/12/07/55/419120755.db2.gz PIPXCAFZNAIKGK-MELADBBJSA-N 1 3 339.484 -0.487 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000650670828 419061748 /nfs/dbraw/zinc/06/17/48/419061748.db2.gz BFCUTYPIISOFPB-AWEZNQCLSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000650670828 419061752 /nfs/dbraw/zinc/06/17/52/419061752.db2.gz BFCUTYPIISOFPB-AWEZNQCLSA-N 1 3 337.468 -0.114 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652671854 419247654 /nfs/dbraw/zinc/24/76/54/419247654.db2.gz QLUGWRZQSWTEIA-RFQIPJPRSA-N 1 3 326.441 -0.593 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1C[NH3+] ZINC000652676320 419249673 /nfs/dbraw/zinc/24/96/73/419249673.db2.gz UYEKXDYYZNEGBG-IUODEOHRSA-N 1 3 338.452 -0.448 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000652686661 419255845 /nfs/dbraw/zinc/25/58/45/419255845.db2.gz MEFWSNQELZPOES-OUCADQQQSA-N 1 3 326.441 -0.593 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652688014 419259191 /nfs/dbraw/zinc/25/91/91/419259191.db2.gz TXODJVRQVYYZFQ-NWANDNLSSA-N 1 3 338.452 -0.425 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1=O ZINC000644893973 419261268 /nfs/dbraw/zinc/26/12/68/419261268.db2.gz BIQLCKBWRRUXQG-GDBMZVCRSA-N 1 3 342.484 -0.132 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000531857146 419273758 /nfs/dbraw/zinc/27/37/58/419273758.db2.gz YFSQIXAJXTUGFC-OLZOCXBDSA-N 1 3 329.445 -0.846 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645260561 419318237 /nfs/dbraw/zinc/31/82/37/419318237.db2.gz KDDSIVBMUHHRJS-CQSZACIVSA-N 1 3 343.472 -0.284 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645260561 419318239 /nfs/dbraw/zinc/31/82/39/419318239.db2.gz KDDSIVBMUHHRJS-CQSZACIVSA-N 1 3 343.472 -0.284 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645241904 419301827 /nfs/dbraw/zinc/30/18/27/419301827.db2.gz JDMJKDDJPRFDNU-CQSZACIVSA-N 1 3 343.472 -0.284 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645241904 419301829 /nfs/dbraw/zinc/30/18/29/419301829.db2.gz JDMJKDDJPRFDNU-CQSZACIVSA-N 1 3 343.472 -0.284 20 0 EBADHO CN(C)CC(=O)NCCN(CC[NH+]1CCCCC1)C(=O)CN(C)C ZINC000342954253 419403867 /nfs/dbraw/zinc/40/38/67/419403867.db2.gz WWSDJJNVQBLTEW-UHFFFAOYSA-N 1 3 341.500 -0.460 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340805276 419380497 /nfs/dbraw/zinc/38/04/97/419380497.db2.gz UTKABLYTPYDACL-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340805276 419380508 /nfs/dbraw/zinc/38/05/08/419380508.db2.gz UTKABLYTPYDACL-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346537428 419487734 /nfs/dbraw/zinc/48/77/34/419487734.db2.gz UICBIRSNWXEMQG-ZFWWWQNUSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000659608549 419522324 /nfs/dbraw/zinc/52/23/24/419522324.db2.gz PMUNIOUHHBWGSJ-CFVMTHIKSA-N 1 3 326.441 -0.003 20 0 EBADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)[nH]1 ZINC000526132173 419599117 /nfs/dbraw/zinc/59/91/17/419599117.db2.gz RYKSIHRFGDPFNB-UHFFFAOYSA-N 1 3 337.424 -0.014 20 0 EBADHO CC1(OCC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CNC1 ZINC000648105587 419642136 /nfs/dbraw/zinc/64/21/36/419642136.db2.gz LLGIHRFRHHMMCE-ZIAGYGMSSA-N 1 3 338.452 -0.528 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420023261 419839703 /nfs/dbraw/zinc/83/97/03/419839703.db2.gz XMDZTAACBCKJEK-CYBMUJFWSA-N 1 3 349.435 -0.162 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422355455 419884417 /nfs/dbraw/zinc/88/44/17/419884417.db2.gz WAHCKZUDLAZCEZ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422355455 419884424 /nfs/dbraw/zinc/88/44/24/419884424.db2.gz WAHCKZUDLAZCEZ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423265067 419930014 /nfs/dbraw/zinc/93/00/14/419930014.db2.gz QPYPMHWHSAWHDO-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423265686 419930397 /nfs/dbraw/zinc/93/03/97/419930397.db2.gz RECKXINUCRVAPF-CYBMUJFWSA-N 1 3 328.457 -0.391 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423262672 419930894 /nfs/dbraw/zinc/93/08/94/419930894.db2.gz NCRYASCLOCNRJJ-HUUCEWRRSA-N 1 3 342.484 -0.001 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423262418 419926324 /nfs/dbraw/zinc/92/63/24/419926324.db2.gz MLGCPDKGFHQYQK-ZIAGYGMSSA-N 1 3 328.457 -0.534 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423260653 419926746 /nfs/dbraw/zinc/92/67/46/419926746.db2.gz HWKPBGUTORGLDR-ZIAGYGMSSA-N 1 3 326.441 -0.909 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423216627 419927337 /nfs/dbraw/zinc/92/73/37/419927337.db2.gz RZBRQJFFQDGPTO-ZNMIVQPWSA-N 1 3 340.468 -0.249 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000167212139 420528064 /nfs/dbraw/zinc/52/80/64/420528064.db2.gz GOZQPSJOROOHGE-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529341673 420763644 /nfs/dbraw/zinc/76/36/44/420763644.db2.gz KCJOLEPGTTUOMB-GJZGRUSLSA-N 1 3 326.441 -0.225 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1=O ZINC000649224312 420793399 /nfs/dbraw/zinc/79/33/99/420793399.db2.gz GMYKULINHBEHFD-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1=O ZINC000649224312 420793402 /nfs/dbraw/zinc/79/34/02/420793402.db2.gz GMYKULINHBEHFD-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO C[NH+](C)[C@@]1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCSC1 ZINC000654473103 420830297 /nfs/dbraw/zinc/83/02/97/420830297.db2.gz AUAOQUWXNGOZRB-GZBFAFLISA-N 1 3 328.482 -0.116 20 0 EBADHO CC[NH+](CC)CCOCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654527999 420832154 /nfs/dbraw/zinc/83/21/54/420832154.db2.gz JXMAZMFFNGTYGL-LSDHHAIUSA-N 1 3 328.457 -0.195 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000656027158 420868329 /nfs/dbraw/zinc/86/83/29/420868329.db2.gz BOMJNGNCUSMUFW-ILXRZTDVSA-N 1 3 338.452 -0.304 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000656028044 420869338 /nfs/dbraw/zinc/86/93/38/420869338.db2.gz HPACJYJBQBCSHF-ZNMIVQPWSA-N 1 3 337.468 -0.779 20 0 EBADHO CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659675869 421013540 /nfs/dbraw/zinc/01/35/40/421013540.db2.gz CHVCBAIAUWAHAJ-MRXNPFEDSA-N 1 3 348.447 -0.323 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659677068 421013932 /nfs/dbraw/zinc/01/39/32/421013932.db2.gz MOXQOEUZSYKSFP-XJKSGUPXSA-N 1 3 348.447 -0.407 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000659704989 421016527 /nfs/dbraw/zinc/01/65/27/421016527.db2.gz UVNUVQSHRSOBGQ-CYBMUJFWSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000659698789 421017117 /nfs/dbraw/zinc/01/71/17/421017117.db2.gz MGDJVTBDNPQTDY-OAHLLOKOSA-N 1 3 341.500 -0.380 20 0 EBADHO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CN1CCN(C)CC1 ZINC000659710725 421018067 /nfs/dbraw/zinc/01/80/67/421018067.db2.gz SZSGIVZUTBQCJZ-CYBMUJFWSA-N 1 3 327.473 -0.818 20 0 EBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659719560 421021472 /nfs/dbraw/zinc/02/14/72/421021472.db2.gz WNBHTNOVMTWIJI-GJZGRUSLSA-N 1 3 340.468 -0.155 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000659738613 421024531 /nfs/dbraw/zinc/02/45/31/421024531.db2.gz GVVIIYDAQGWRME-QLFBSQMISA-N 1 3 348.451 -0.726 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000659739463 421026459 /nfs/dbraw/zinc/02/64/59/421026459.db2.gz UUSXBKRKZIZACS-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662977343 421120456 /nfs/dbraw/zinc/12/04/56/421120456.db2.gz JCJALZNEOOOVEJ-XOYHFGRZSA-N 1 3 338.452 -0.495 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446800775 421179064 /nfs/dbraw/zinc/17/90/64/421179064.db2.gz FFNVKZBSOWQLRW-TZMCWYRMSA-N 1 3 348.451 -0.018 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000448484717 421191991 /nfs/dbraw/zinc/19/19/91/421191991.db2.gz FVIBDVMKGTXEJX-KGLIPLIRSA-N 1 3 348.451 0.126 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000448484717 421191994 /nfs/dbraw/zinc/19/19/94/421191994.db2.gz FVIBDVMKGTXEJX-KGLIPLIRSA-N 1 3 348.451 0.126 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)n1 ZINC000454856257 421195349 /nfs/dbraw/zinc/19/53/49/421195349.db2.gz FJLOQVGZWHYLAQ-AWEZNQCLSA-N 1 3 338.456 0.413 20 0 EBADHO COC[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]C1 ZINC000423384991 265001435 /nfs/dbraw/zinc/00/14/35/265001435.db2.gz QSQABNHDQOQADE-KRWDZBQOSA-N 1 3 338.452 -0.621 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000423401801 265002677 /nfs/dbraw/zinc/00/26/77/265002677.db2.gz XLDFERWXXGPASQ-KRWDZBQOSA-N 1 3 340.468 -0.375 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000423984071 265044622 /nfs/dbraw/zinc/04/46/22/265044622.db2.gz BIAMUQSFKUFIQZ-KFWWJZLASA-N 1 3 338.452 -0.576 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000423984071 265044624 /nfs/dbraw/zinc/04/46/24/265044624.db2.gz BIAMUQSFKUFIQZ-KFWWJZLASA-N 1 3 338.452 -0.576 20 0 EBADHO N[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1F ZINC000424034081 265046357 /nfs/dbraw/zinc/04/63/57/265046357.db2.gz ZKSOATTULLZGTC-NWANDNLSSA-N 1 3 334.395 -0.053 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430963233 265159124 /nfs/dbraw/zinc/15/91/24/265159124.db2.gz SXMJWIXSPRHMPG-OLZOCXBDSA-N 1 3 348.451 -0.117 20 0 EBADHO CCN1CCN(CCNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433161710 265185618 /nfs/dbraw/zinc/18/56/18/265185618.db2.gz RZKQETCYFFQDBO-UHFFFAOYSA-N 1 3 325.501 -0.057 20 0 EBADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000195243489 276378307 /nfs/dbraw/zinc/37/83/07/276378307.db2.gz PDWPMKRICAYGMR-WCVJEAGWSA-N 1 3 334.464 -0.003 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000665764240 545696735 /nfs/dbraw/zinc/69/67/35/545696735.db2.gz YWORGIPAZHKJEF-ZNMIVQPWSA-N 1 3 330.473 -0.357 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000665764240 545696739 /nfs/dbraw/zinc/69/67/39/545696739.db2.gz YWORGIPAZHKJEF-ZNMIVQPWSA-N 1 3 330.473 -0.357 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000667812182 546063619 /nfs/dbraw/zinc/06/36/19/546063619.db2.gz GHBOSOOERGELNY-ZIAGYGMSSA-N 1 3 325.457 -0.116 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000667812182 546063624 /nfs/dbraw/zinc/06/36/24/546063624.db2.gz GHBOSOOERGELNY-ZIAGYGMSSA-N 1 3 325.457 -0.116 20 0 EBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891823 546239638 /nfs/dbraw/zinc/23/96/38/546239638.db2.gz SJHHQMWSSLTRGO-IAGOWNOFSA-N 1 3 335.496 -0.385 20 0 EBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891823 546239643 /nfs/dbraw/zinc/23/96/43/546239643.db2.gz SJHHQMWSSLTRGO-IAGOWNOFSA-N 1 3 335.496 -0.385 20 0 EBADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000892180674 582569047 /nfs/dbraw/zinc/56/90/47/582569047.db2.gz OOCAUGMPRZEXQC-HNNXBMFYSA-N 1 3 328.457 -0.025 20 0 EBADHO C[C@H](CNC(=O)NCCN1CCC(O)CC1)C[NH+]1CCN(C)CC1 ZINC000893236649 582594667 /nfs/dbraw/zinc/59/46/67/582594667.db2.gz JALYCKDLJYHDQI-OAHLLOKOSA-N 1 3 341.500 -0.374 20 0 EBADHO C[NH+](C)CCOCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894367244 582629435 /nfs/dbraw/zinc/62/94/35/582629435.db2.gz RLTQLQTZHXYKRC-GJZGRUSLSA-N 1 3 328.457 -0.195 20 0 EBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C3CN([C@H]4CCOC4)C3)C2)CC1 ZINC000896324538 582662195 /nfs/dbraw/zinc/66/21/95/582662195.db2.gz DSSFMCVGHNTNMZ-RDJZCZTQSA-N 1 3 336.480 -0.008 20 0 EBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C3CN([C@H]4CCOC4)C3)C2)CC1 ZINC000896324538 582662196 /nfs/dbraw/zinc/66/21/96/582662196.db2.gz DSSFMCVGHNTNMZ-RDJZCZTQSA-N 1 3 336.480 -0.008 20 0 EBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C3CN([C@H]4CCOC4)C3)C2)CC1 ZINC000896324538 582662199 /nfs/dbraw/zinc/66/21/99/582662199.db2.gz DSSFMCVGHNTNMZ-RDJZCZTQSA-N 1 3 336.480 -0.008 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCNC(=O)C1 ZINC000900481103 582770363 /nfs/dbraw/zinc/77/03/63/582770363.db2.gz MQIBQCKMKXSLID-HNNXBMFYSA-N 1 3 339.484 -0.707 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCNC(=O)C1 ZINC000900481103 582770365 /nfs/dbraw/zinc/77/03/65/582770365.db2.gz MQIBQCKMKXSLID-HNNXBMFYSA-N 1 3 339.484 -0.707 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCO[C@H](C)C1)C2 ZINC000903492744 582809671 /nfs/dbraw/zinc/80/96/71/582809671.db2.gz RWBPQXNRDJJEJJ-IATRGZMQSA-N 1 3 325.409 -0.554 20 0 EBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903735676 582816017 /nfs/dbraw/zinc/81/60/17/582816017.db2.gz OKGIVTAGBZBXJK-GMTAPVOTSA-N 1 3 336.358 -0.113 20 0 EBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@H]21 ZINC000903775885 582819894 /nfs/dbraw/zinc/81/98/94/582819894.db2.gz HOXMPGUGOSAUCD-DDHJBXDOSA-N 1 3 348.369 -0.113 20 0 EBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H](N)C3)CC[C@H]21 ZINC000903775885 582819897 /nfs/dbraw/zinc/81/98/97/582819897.db2.gz HOXMPGUGOSAUCD-DDHJBXDOSA-N 1 3 348.369 -0.113 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC=CO1 ZINC000805511733 583385862 /nfs/dbraw/zinc/38/58/62/583385862.db2.gz IVTWVVNZBQCYEU-CQSZACIVSA-N 1 3 326.441 -0.253 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842165537 584058931 /nfs/dbraw/zinc/05/89/31/584058931.db2.gz ZBOANASRNDLQFF-AJNGGQMLSA-N 1 3 338.452 -0.306 20 0 EBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842165567 584058972 /nfs/dbraw/zinc/05/89/72/584058972.db2.gz ZKDAXTTWUPGPCK-RDBSUJKOSA-N 1 3 326.441 -0.401 20 0 EBADHO [NH3+]CCCCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000843259191 584074240 /nfs/dbraw/zinc/07/42/40/584074240.db2.gz LNVGOMVISUWMAW-KGLIPLIRSA-N 1 3 326.441 -0.399 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865311 584217990 /nfs/dbraw/zinc/21/79/90/584217990.db2.gz YWTKAWVPPFTRBR-AAEUAGOBSA-N 1 3 325.413 -0.851 20 0 EBADHO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2(N(C)C)CCC2)CC1=O ZINC000868387283 584427119 /nfs/dbraw/zinc/42/71/19/584427119.db2.gz ADXNNAGESTWLAL-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2(N(C)C)CCC2)CC1=O ZINC000868387283 584427120 /nfs/dbraw/zinc/42/71/20/584427120.db2.gz ADXNNAGESTWLAL-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(C(=O)C(=O)NC1CCN(CCN(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000884517269 584625675 /nfs/dbraw/zinc/62/56/75/584625675.db2.gz JFRRALQZXOBUJO-HNNXBMFYSA-N 1 3 339.484 -0.661 20 0 EBADHO CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000884560522 584627670 /nfs/dbraw/zinc/62/76/70/584627670.db2.gz ZMCLOJZXMFQZIW-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000884612284 584629744 /nfs/dbraw/zinc/62/97/44/584629744.db2.gz IVEYXGWBJXZLNF-JMSVASOKSA-N 1 3 328.482 -0.407 20 0 EBADHO CCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000884612325 584629894 /nfs/dbraw/zinc/62/98/94/584629894.db2.gz JKSBCTGJQPTGRC-DOMZBBRYSA-N 1 3 328.482 -0.250 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000884674608 584632978 /nfs/dbraw/zinc/63/29/78/584632978.db2.gz AIBCILQPMOBRKR-ZDUSSCGKSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000884725921 584636577 /nfs/dbraw/zinc/63/65/77/584636577.db2.gz CIDKBYSHSRSGDC-ZFWWWQNUSA-N 1 3 347.419 -0.777 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974002 584641726 /nfs/dbraw/zinc/64/17/26/584641726.db2.gz KLBLWWSTZUBKCT-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000887093382 584676563 /nfs/dbraw/zinc/67/65/63/584676563.db2.gz JERIVCLNZBSPSF-AWEZNQCLSA-N 1 3 349.435 -0.448 20 0 EBADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106840 649986357 /nfs/dbraw/zinc/98/63/57/649986357.db2.gz VITLOQFUNCGQGM-NWDGAFQWSA-N 1 3 338.374 -0.293 20 0 EBADHO CN(C[C@@H](O)C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446628 650063446 /nfs/dbraw/zinc/06/34/46/650063446.db2.gz JZXUJHZCMMYEAA-WMZOPIPTSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@H+](C[C@@H](O)CN[C@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446628 650063447 /nfs/dbraw/zinc/06/34/47/650063447.db2.gz JZXUJHZCMMYEAA-WMZOPIPTSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446628 650063448 /nfs/dbraw/zinc/06/34/48/650063448.db2.gz JZXUJHZCMMYEAA-WMZOPIPTSA-N 1 3 340.512 -0.172 20 0 EBADHO CC(C)CN1CCO[C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000905396508 650063541 /nfs/dbraw/zinc/06/35/41/650063541.db2.gz OIGSBDJKTFGBMI-MRXNPFEDSA-N 1 3 326.485 -0.047 20 0 EBADHO CC(C)CN1CCO[C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000905396508 650063542 /nfs/dbraw/zinc/06/35/42/650063542.db2.gz OIGSBDJKTFGBMI-MRXNPFEDSA-N 1 3 326.485 -0.047 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186549 650097962 /nfs/dbraw/zinc/09/79/62/650097962.db2.gz WXMJLSJVEIQPEM-KEYYUXOJSA-N 1 3 338.452 -0.747 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)C1=O ZINC000908186549 650097964 /nfs/dbraw/zinc/09/79/64/650097964.db2.gz WXMJLSJVEIQPEM-KEYYUXOJSA-N 1 3 338.452 -0.747 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911003019 650144634 /nfs/dbraw/zinc/14/46/34/650144634.db2.gz FZUWKDYENYATSK-CYBMUJFWSA-N 1 3 326.441 -0.672 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000911097143 650151042 /nfs/dbraw/zinc/15/10/42/650151042.db2.gz NQZLHRYXUGBWFN-CYBMUJFWSA-N 1 3 339.484 -0.676 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1(C)C ZINC000911097695 650151099 /nfs/dbraw/zinc/15/10/99/650151099.db2.gz VJRDPIRKVGBSNN-BFHYXJOUSA-N 1 3 337.468 -0.862 20 0 EBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000911148443 650154334 /nfs/dbraw/zinc/15/43/34/650154334.db2.gz OILIPVQMGOISRT-SOUVJXGZSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148818 650154495 /nfs/dbraw/zinc/15/44/95/650154495.db2.gz RBOFPPBQQWTMCI-KBXIAJHMSA-N 1 3 338.452 -0.591 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CC2)Cc2ccccc2C1 ZINC000911159278 650155665 /nfs/dbraw/zinc/15/56/65/650155665.db2.gz QEQBYRPMWRISSR-UHFFFAOYSA-N 1 3 330.432 -0.191 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911174585 650157066 /nfs/dbraw/zinc/15/70/66/650157066.db2.gz FBLBRHNXQXGYLD-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1CC[NH3+] ZINC000911200091 650159199 /nfs/dbraw/zinc/15/91/99/650159199.db2.gz PFVKNDODXHKCNT-IOASZLSFSA-N 1 3 342.509 -0.017 20 0 EBADHO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000911224405 650160654 /nfs/dbraw/zinc/16/06/54/650160654.db2.gz XZQDJZOOJSJSLT-IJLUTSLNSA-N 1 3 348.369 -0.065 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCNCCNCC1)C[NH+]1CCCC1 ZINC000911230088 650161055 /nfs/dbraw/zinc/16/10/55/650161055.db2.gz NDWKKAFNFXUGNI-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911256230 650163535 /nfs/dbraw/zinc/16/35/35/650163535.db2.gz UAKXSCRMUOCWME-ZDUSSCGKSA-N 1 3 340.468 -0.058 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)C[NH+](C)C ZINC000911284911 650166658 /nfs/dbraw/zinc/16/66/58/650166658.db2.gz SONHIWZAKJWUAB-CABCVRRESA-N 1 3 336.436 -0.115 20 0 EBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000911335878 650171744 /nfs/dbraw/zinc/17/17/44/650171744.db2.gz BZOPRLDBMAOPIA-KGLIPLIRSA-N 1 3 338.452 -0.530 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911330365 650171908 /nfs/dbraw/zinc/17/19/08/650171908.db2.gz JSLACFDMAMTUNU-WMLDXEAASA-N 1 3 340.468 -0.465 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000911533727 650190918 /nfs/dbraw/zinc/19/09/18/650190918.db2.gz QMESKZVMVVFPLP-ZDUSSCGKSA-N 1 3 326.441 -0.589 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563525 650193870 /nfs/dbraw/zinc/19/38/70/650193870.db2.gz OMRUCNARRMXDEK-IHRRRGAJSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccnn1CC[NH+](C)C ZINC000912460596 650205743 /nfs/dbraw/zinc/20/57/43/650205743.db2.gz DYUOAJMUFLZYCO-UHFFFAOYSA-N 1 3 338.456 -0.463 20 0 EBADHO C[NH+](C)C[C@@H]1CN(C(=O)Cc2c([O-])nc[nH]c2=O)C[C@H]1C[NH+](C)C ZINC000913438596 650233526 /nfs/dbraw/zinc/23/35/26/650233526.db2.gz SINXFJAFCXBGOE-VXGBXAGGSA-N 1 3 337.424 -0.372 20 0 EBADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)N2CCNCC2)C1 ZINC000923652270 650350499 /nfs/dbraw/zinc/35/04/99/650350499.db2.gz KLTJVTAQVZTWMR-MGPQQGTHSA-N 1 3 332.470 -0.503 20 0 EBADHO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1C(F)(F)F ZINC000923661499 650351451 /nfs/dbraw/zinc/35/14/51/650351451.db2.gz KRMVZZOGJWIEIU-VHSXEESVSA-N 1 3 330.376 -0.405 20 0 EBADHO C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CCN1c1cc[nH+]cc1 ZINC000923670813 650351750 /nfs/dbraw/zinc/35/17/50/650351750.db2.gz GVAPLKOINXPUGI-CYBMUJFWSA-N 1 3 325.438 -0.258 20 0 EBADHO C[NH+](C)CC[C@@H](NS(=O)(=O)N1CCNCC1)c1cccnc1 ZINC000923676788 650352014 /nfs/dbraw/zinc/35/20/14/650352014.db2.gz NPIWGIDZYKBQQT-CQSZACIVSA-N 1 3 327.454 -0.186 20 0 EBADHO C[C@H]1CN(S(=O)(=O)N2CCNCC2)CCN1c1cc[nH+]cc1 ZINC000923670815 650352049 /nfs/dbraw/zinc/35/20/49/650352049.db2.gz GVAPLKOINXPUGI-ZDUSSCGKSA-N 1 3 325.438 -0.258 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)CC[C@@H]1C[NH3+] ZINC000926336531 650386833 /nfs/dbraw/zinc/38/68/33/650386833.db2.gz XYFMGXMLRMOOCE-MGPQQGTHSA-N 1 3 326.441 -0.781 20 0 EBADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000927634540 651503855 /nfs/dbraw/zinc/50/38/55/651503855.db2.gz VORPQNCWLUXYCW-HRCADAONSA-N 1 3 338.452 -0.300 20 0 EBADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000927634540 651503861 /nfs/dbraw/zinc/50/38/61/651503861.db2.gz VORPQNCWLUXYCW-HRCADAONSA-N 1 3 338.452 -0.300 20 0 EBADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)c1 ZINC000927883529 651511316 /nfs/dbraw/zinc/51/13/16/651511316.db2.gz AQUKPKHUIBJQRK-QGZVFWFLSA-N 1 3 334.420 -0.001 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1CC)C[NH+](C)C ZINC000932467519 651681830 /nfs/dbraw/zinc/68/18/30/651681830.db2.gz JNUCZEWOTBXYDV-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1CN(CCN2CCNC2=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170842 652701177 /nfs/dbraw/zinc/70/11/77/652701177.db2.gz VNXXGSPLYQFUHQ-GJZGRUSLSA-N 1 3 349.479 -0.066 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000946924838 653270627 /nfs/dbraw/zinc/27/06/27/653270627.db2.gz KGCUGIVKYSUPNM-UONOGXRCSA-N 1 3 340.468 -0.500 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000946927569 653274200 /nfs/dbraw/zinc/27/42/00/653274200.db2.gz KGCUGIVKYSUPNM-KBPBESRZSA-N 1 3 340.468 -0.500 20 0 EBADHO O=C(NC[C@H]1CN(CCn2cccn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215259 722328763 /nfs/dbraw/zinc/32/87/63/722328763.db2.gz VHNUMKKMOCBAJH-HOTGVXAUSA-N 1 3 347.463 -0.080 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC000960520497 722835997 /nfs/dbraw/zinc/83/59/97/722835997.db2.gz BFGVXTHDLJKNNQ-LJISPDSOSA-N 1 3 332.448 -0.203 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962297039 723220386 /nfs/dbraw/zinc/22/03/86/723220386.db2.gz KCXRXBMJUIRXRO-WDNDVIMCSA-N 1 3 333.436 -0.846 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000963382003 723413862 /nfs/dbraw/zinc/41/38/62/723413862.db2.gz FNJPENABKNMLRJ-MJBXVCDLSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000963382003 723413864 /nfs/dbraw/zinc/41/38/64/723413864.db2.gz FNJPENABKNMLRJ-MJBXVCDLSA-N 1 3 338.452 -0.890 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019381315 728876172 /nfs/dbraw/zinc/87/61/72/728876172.db2.gz FNVQYJHPZCIMIY-STQMWFEESA-N 1 3 337.424 -0.787 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(C(=O)Cc2c[nH]cn2)CCO3)C1 ZINC000965513005 724279314 /nfs/dbraw/zinc/27/93/14/724279314.db2.gz FNNUSRUSJCJETM-CYBMUJFWSA-N 1 3 347.419 -0.656 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(C(=O)Cc2c[nH]cn2)CCO3)C1 ZINC000965513005 724279316 /nfs/dbraw/zinc/27/93/16/724279316.db2.gz FNNUSRUSJCJETM-CYBMUJFWSA-N 1 3 347.419 -0.656 20 0 EBADHO Cc1nc(CN[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)n[nH]1 ZINC000968719351 725109345 /nfs/dbraw/zinc/10/93/45/725109345.db2.gz ROQUXHIQNWHAQW-CYBMUJFWSA-N 1 3 346.439 -0.124 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC000968915300 725128538 /nfs/dbraw/zinc/12/85/38/725128538.db2.gz HNJAPDDPWZXOEN-CZUORRHYSA-N 1 3 336.436 -0.334 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000969403878 725176790 /nfs/dbraw/zinc/17/67/90/725176790.db2.gz QAMCQZIANAZZSD-GYMHETDLSA-N 1 3 346.435 -0.668 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590028 728932641 /nfs/dbraw/zinc/93/26/41/728932641.db2.gz KUHKZNUKRZTVKI-DZGCQCFKSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590028 728932644 /nfs/dbraw/zinc/93/26/44/728932644.db2.gz KUHKZNUKRZTVKI-DZGCQCFKSA-N 1 3 349.435 -0.362 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000969955342 725231769 /nfs/dbraw/zinc/23/17/69/725231769.db2.gz PKUWSXDJPUECCS-HUUCEWRRSA-N 1 3 338.452 -0.623 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000969955342 725231770 /nfs/dbraw/zinc/23/17/70/725231770.db2.gz PKUWSXDJPUECCS-HUUCEWRRSA-N 1 3 338.452 -0.623 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC000969985943 725235239 /nfs/dbraw/zinc/23/52/39/725235239.db2.gz PBOYCCSNUMTIBW-MCIONIFRSA-N 1 3 331.482 -0.048 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544881 725419943 /nfs/dbraw/zinc/41/99/43/725419943.db2.gz FQDHHDQOXILGSO-HOTGVXAUSA-N 1 3 349.479 -0.114 20 0 EBADHO CN(CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654316 735295335 /nfs/dbraw/zinc/29/53/35/735295335.db2.gz LEHLFLFAKIVIOG-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000992014736 725701934 /nfs/dbraw/zinc/70/19/34/725701934.db2.gz DZNTVTYALWRCRV-OAHLLOKOSA-N 1 3 348.451 -0.521 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975424021 726149379 /nfs/dbraw/zinc/14/93/79/726149379.db2.gz PPIJTPAQJNEDSZ-UMVBOHGHSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)C1 ZINC000975424021 726149380 /nfs/dbraw/zinc/14/93/80/726149380.db2.gz PPIJTPAQJNEDSZ-UMVBOHGHSA-N 1 3 331.420 -0.037 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996821809 726428820 /nfs/dbraw/zinc/42/88/20/726428820.db2.gz JHTFMFSCDOGZQV-DXMOGKONSA-N 1 3 336.436 -0.696 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997611785 726457466 /nfs/dbraw/zinc/45/74/66/726457466.db2.gz HKJGMBGIODGVIN-UONOGXRCSA-N 1 3 336.436 -0.286 20 0 EBADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000998084579 726475383 /nfs/dbraw/zinc/47/53/83/726475383.db2.gz CWFFWOZMNWOGRN-KGLIPLIRSA-N 1 3 338.452 -0.040 20 0 EBADHO COCCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000041415 726552744 /nfs/dbraw/zinc/55/27/44/726552744.db2.gz BQVLGGOTDJVTBY-HIFRSBDPSA-N 1 3 336.440 -0.261 20 0 EBADHO COCCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000041415 726552745 /nfs/dbraw/zinc/55/27/45/726552745.db2.gz BQVLGGOTDJVTBY-HIFRSBDPSA-N 1 3 336.440 -0.261 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000192722 726558315 /nfs/dbraw/zinc/55/83/15/726558315.db2.gz NAWJGWSSMJCKDH-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001000919743 726583893 /nfs/dbraw/zinc/58/38/93/726583893.db2.gz QOSYVHHWRAELCW-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001000919743 726583894 /nfs/dbraw/zinc/58/38/94/726583894.db2.gz QOSYVHHWRAELCW-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001051825661 735417358 /nfs/dbraw/zinc/41/73/58/735417358.db2.gz VCNGHDFBSGYQRB-UONOGXRCSA-N 1 3 338.452 -0.576 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001051848000 735426016 /nfs/dbraw/zinc/42/60/16/735426016.db2.gz HJLHFTWKAUEKMQ-ZFWWWQNUSA-N 1 3 349.435 -0.315 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001011178094 727485213 /nfs/dbraw/zinc/48/52/13/727485213.db2.gz LUBGSHOROUORDZ-HNNXBMFYSA-N 1 3 331.420 -0.035 20 0 EBADHO CN1CC[C@H](NC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)C1=O ZINC001051902982 735455406 /nfs/dbraw/zinc/45/54/06/735455406.db2.gz NTTCDKLDXQQSAY-KGLIPLIRSA-N 1 3 336.436 -0.870 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001022118959 729457225 /nfs/dbraw/zinc/45/72/25/729457225.db2.gz BBSBLSSICPQTKP-BARDWOONSA-N 1 3 334.424 -0.622 20 0 EBADHO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022452021 729495681 /nfs/dbraw/zinc/49/56/81/729495681.db2.gz JGVYSWKBHWBMGT-DFSBOIMQSA-N 1 3 346.435 -0.585 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715932 729524467 /nfs/dbraw/zinc/52/44/67/729524467.db2.gz OHOOISMYVISCIG-LJISPDSOSA-N 1 3 343.493 0.000 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838059 729536722 /nfs/dbraw/zinc/53/67/22/729536722.db2.gz BFZSVVZGRCRRFK-OKILXGFUSA-N 1 3 346.439 -0.376 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001024416691 729884691 /nfs/dbraw/zinc/88/46/91/729884691.db2.gz VIUMRJQWMWMPBA-QLFBSQMISA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001024787535 729929273 /nfs/dbraw/zinc/92/92/73/729929273.db2.gz QWVNWDBKBDQOHT-HZSPNIEDSA-N 1 3 338.452 -0.890 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040101101 731599264 /nfs/dbraw/zinc/59/92/64/731599264.db2.gz SBGUWEKGSUIJPW-MRXNPFEDSA-N 1 3 328.457 -0.642 20 0 EBADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001040448594 731737919 /nfs/dbraw/zinc/73/79/19/731737919.db2.gz AVKIYHOMPAIQJR-QGZVFWFLSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001040448594 731737920 /nfs/dbraw/zinc/73/79/20/731737920.db2.gz AVKIYHOMPAIQJR-QGZVFWFLSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040718472 731846176 /nfs/dbraw/zinc/84/61/76/731846176.db2.gz LILJMHMSEQHDTM-RHSMWYFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719845 731846661 /nfs/dbraw/zinc/84/66/61/731846661.db2.gz YGYDHZDLDVXXLJ-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001040797615 731879264 /nfs/dbraw/zinc/87/92/64/731879264.db2.gz KLBNJBURWWHJQO-WBVHZDCISA-N 1 3 342.484 -0.396 20 0 EBADHO CN(CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001040801781 731881429 /nfs/dbraw/zinc/88/14/29/731881429.db2.gz UUZSXVDIRRNJFH-QGZVFWFLSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118389 732767977 /nfs/dbraw/zinc/76/79/77/732767977.db2.gz GSFUXEONHSXMMY-CYBMUJFWSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118389 732767979 /nfs/dbraw/zinc/76/79/79/732767979.db2.gz GSFUXEONHSXMMY-CYBMUJFWSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043432390 732937047 /nfs/dbraw/zinc/93/70/47/732937047.db2.gz YUCRTNSTEQZSCI-HNNXBMFYSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001043464869 732956466 /nfs/dbraw/zinc/95/64/66/732956466.db2.gz QDFPYACONFIWSS-OAHLLOKOSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001043464869 732956469 /nfs/dbraw/zinc/95/64/69/732956469.db2.gz QDFPYACONFIWSS-OAHLLOKOSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001043679208 733056655 /nfs/dbraw/zinc/05/66/55/733056655.db2.gz WLDLFDFKPMSYDR-CQSZACIVSA-N 1 3 342.484 -0.252 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001044327377 733385032 /nfs/dbraw/zinc/38/50/32/733385032.db2.gz ZEBSJSUCPFJDRA-WCQYABFASA-N 1 3 349.435 -0.852 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001044327377 733385034 /nfs/dbraw/zinc/38/50/34/733385034.db2.gz ZEBSJSUCPFJDRA-WCQYABFASA-N 1 3 349.435 -0.852 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044747999 733497247 /nfs/dbraw/zinc/49/72/47/733497247.db2.gz BASNMKKYBRAFBW-UONOGXRCSA-N 1 3 349.435 -0.220 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044757618 733500466 /nfs/dbraw/zinc/50/04/66/733500466.db2.gz UZBPQKJSFFEVBP-RYUDHWBXSA-N 1 3 348.407 -0.527 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)cn1 ZINC001045236617 733631306 /nfs/dbraw/zinc/63/13/06/733631306.db2.gz OZTGXMMKTUVCMB-GJZGRUSLSA-N 1 3 348.451 -0.473 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412895 733689491 /nfs/dbraw/zinc/68/94/91/733689491.db2.gz IDZWPLBFMRGSNG-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046531818 733956619 /nfs/dbraw/zinc/95/66/19/733956619.db2.gz VAISUTKNBSULFH-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001046531818 733956622 /nfs/dbraw/zinc/95/66/22/733956622.db2.gz VAISUTKNBSULFH-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CN(C(=O)[C@@H]1CCCCN1C)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047428602 734189864 /nfs/dbraw/zinc/18/98/64/734189864.db2.gz FGUYJQOQLIPRKJ-ULQDDVLXSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@@H]1CCCCN1C)[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047428602 734189866 /nfs/dbraw/zinc/18/98/66/734189866.db2.gz FGUYJQOQLIPRKJ-ULQDDVLXSA-N 1 3 349.479 -0.050 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907594 738810977 /nfs/dbraw/zinc/81/09/77/738810977.db2.gz KJWYWOIIJVRKHQ-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048724394 734484191 /nfs/dbraw/zinc/48/41/91/734484191.db2.gz YXJVNZWJIOGHJK-ZNMIVQPWSA-N 1 3 348.447 -0.380 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048724394 734484193 /nfs/dbraw/zinc/48/41/93/734484193.db2.gz YXJVNZWJIOGHJK-ZNMIVQPWSA-N 1 3 348.447 -0.380 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863822 734543937 /nfs/dbraw/zinc/54/39/37/734543937.db2.gz MEPHSPDGYTVNIB-OWCLPIDISA-N 1 3 349.479 -0.258 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863822 734543938 /nfs/dbraw/zinc/54/39/38/734543938.db2.gz MEPHSPDGYTVNIB-OWCLPIDISA-N 1 3 349.479 -0.258 20 0 EBADHO CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048880778 734555755 /nfs/dbraw/zinc/55/57/55/734555755.db2.gz PMRJKKIOVMUZOL-KBPBESRZSA-N 1 3 328.457 -0.690 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059205 734630911 /nfs/dbraw/zinc/63/09/11/734630911.db2.gz NRIPFYUICNWBGC-CAOSSQGBSA-N 1 3 334.464 -0.003 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059205 734630913 /nfs/dbraw/zinc/63/09/13/734630913.db2.gz NRIPFYUICNWBGC-CAOSSQGBSA-N 1 3 334.464 -0.003 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049064262 734633561 /nfs/dbraw/zinc/63/35/61/734633561.db2.gz BCZOWUVMHUVDAK-ZNMIVQPWSA-N 1 3 337.468 -0.258 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049064262 734633563 /nfs/dbraw/zinc/63/35/63/734633563.db2.gz BCZOWUVMHUVDAK-ZNMIVQPWSA-N 1 3 337.468 -0.258 20 0 EBADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001049348880 734712997 /nfs/dbraw/zinc/71/29/97/734712997.db2.gz DBOSUHPWPAHSBZ-ILXRZTDVSA-N 1 3 342.484 -0.302 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001049349274 734713394 /nfs/dbraw/zinc/71/33/94/734713394.db2.gz NDJYRXRRBANMKJ-GJZGRUSLSA-N 1 3 342.484 -0.300 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001049542106 734749583 /nfs/dbraw/zinc/74/95/83/734749583.db2.gz FZGPODVJPOIGTD-KKUMJFAQSA-N 1 3 342.484 -0.302 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001049542106 734749587 /nfs/dbraw/zinc/74/95/87/734749587.db2.gz FZGPODVJPOIGTD-KKUMJFAQSA-N 1 3 342.484 -0.302 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052654296 735664596 /nfs/dbraw/zinc/66/45/96/735664596.db2.gz XUSPFPYNBJRAGE-KGLIPLIRSA-N 1 3 326.441 -0.448 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052654296 735664598 /nfs/dbraw/zinc/66/45/98/735664598.db2.gz XUSPFPYNBJRAGE-KGLIPLIRSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054734678 736236549 /nfs/dbraw/zinc/23/65/49/736236549.db2.gz CNKHXIOKAOCIIN-HIFRSBDPSA-N 1 3 337.468 -0.068 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057587837 737346796 /nfs/dbraw/zinc/34/67/96/737346796.db2.gz MVVKMGJJPWAKGX-HNNXBMFYSA-N 1 3 342.484 -0.252 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636711 737377065 /nfs/dbraw/zinc/37/70/65/737377065.db2.gz XIUYLPQHSITRCA-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636711 737377069 /nfs/dbraw/zinc/37/70/69/737377069.db2.gz XIUYLPQHSITRCA-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876330 737495616 /nfs/dbraw/zinc/49/56/16/737495616.db2.gz HLVWKLLPIXGWHT-LSDHHAIUSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001057994378 737582365 /nfs/dbraw/zinc/58/23/65/737582365.db2.gz VVQQBNYHYHFHSV-OAHLLOKOSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058255092 737736898 /nfs/dbraw/zinc/73/68/98/737736898.db2.gz BNURSASLCQTQLU-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058255092 737736901 /nfs/dbraw/zinc/73/69/01/737736901.db2.gz BNURSASLCQTQLU-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001058255404 737737504 /nfs/dbraw/zinc/73/75/04/737737504.db2.gz OOKVOLDQEJIMNN-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058255404 737737505 /nfs/dbraw/zinc/73/75/05/737737505.db2.gz OOKVOLDQEJIMNN-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607899 737920562 /nfs/dbraw/zinc/92/05/62/737920562.db2.gz SMCPFJODSXEGSH-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001058815047 738002710 /nfs/dbraw/zinc/00/27/10/738002710.db2.gz JHRUWSRLANGTHL-INIZCTEOSA-N 1 3 344.500 -0.149 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001058815047 738002712 /nfs/dbraw/zinc/00/27/12/738002712.db2.gz JHRUWSRLANGTHL-INIZCTEOSA-N 1 3 344.500 -0.149 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCC[C@@H]1C ZINC001058815909 738003493 /nfs/dbraw/zinc/00/34/93/738003493.db2.gz ABRGSRXJRGLIJN-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCC[C@@H]1C ZINC001058815909 738003496 /nfs/dbraw/zinc/00/34/96/738003496.db2.gz ABRGSRXJRGLIJN-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO O=C(Cc1c[nH]cn1)N(CCO)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001058948366 738087484 /nfs/dbraw/zinc/08/74/84/738087484.db2.gz VOWZVQWNQGDFNW-HNNXBMFYSA-N 1 3 349.435 -0.769 20 0 EBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2)N(C)C ZINC001072850985 741503313 /nfs/dbraw/zinc/50/33/13/741503313.db2.gz GXEWEGAPJYHPPW-CQSZACIVSA-N 1 3 337.468 -0.114 20 0 EBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2)N(C)C ZINC001072850985 741503317 /nfs/dbraw/zinc/50/33/17/741503317.db2.gz GXEWEGAPJYHPPW-CQSZACIVSA-N 1 3 337.468 -0.114 20 0 EBADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN([C@@H](C)C(N)=O)C3)C1 ZINC001072913986 741518602 /nfs/dbraw/zinc/51/86/02/741518602.db2.gz PYXBOMGCHPINET-UONOGXRCSA-N 1 3 338.452 -0.496 20 0 EBADHO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN([C@@H](C)C(N)=O)C3)C1 ZINC001072913986 741518603 /nfs/dbraw/zinc/51/86/03/741518603.db2.gz PYXBOMGCHPINET-UONOGXRCSA-N 1 3 338.452 -0.496 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074562817 741999250 /nfs/dbraw/zinc/99/92/50/741999250.db2.gz KGADWWOCYFEJEK-KKUMJFAQSA-N 1 3 338.452 -0.482 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000976870465 803924069 /nfs/dbraw/zinc/92/40/69/803924069.db2.gz YLGMVUHSDLHHMI-CVGURMSBSA-N 1 3 331.420 -0.133 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000976870465 803924080 /nfs/dbraw/zinc/92/40/80/803924080.db2.gz YLGMVUHSDLHHMI-CVGURMSBSA-N 1 3 331.420 -0.133 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977197500 804205384 /nfs/dbraw/zinc/20/53/84/804205384.db2.gz SUOFIQZFFARBST-NPCUJANDSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000977197500 804205390 /nfs/dbraw/zinc/20/53/90/804205390.db2.gz SUOFIQZFFARBST-NPCUJANDSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)C1 ZINC000977207457 804223576 /nfs/dbraw/zinc/22/35/76/804223576.db2.gz JASSSCGSXWLIMZ-NBFUAULTSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000977207457 804223581 /nfs/dbraw/zinc/22/35/81/804223581.db2.gz JASSSCGSXWLIMZ-NBFUAULTSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000984805500 807391610 /nfs/dbraw/zinc/39/16/10/807391610.db2.gz SXZVIYNUUKBXKD-XUXIUFHCSA-N 1 3 336.436 -0.240 20 0 EBADHO CN(CC(N)=O)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000985434668 807511637 /nfs/dbraw/zinc/51/16/37/807511637.db2.gz FFMRHBONRUJEDV-UHFFFAOYSA-N 1 3 336.440 -0.534 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)CN1CCCC1 ZINC000989800076 808598482 /nfs/dbraw/zinc/59/84/82/808598482.db2.gz PQFAMHAQOWGLKN-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855670 810286207 /nfs/dbraw/zinc/28/62/07/810286207.db2.gz KNADKYGKLPKDSX-MPKXVKKWSA-N 1 3 339.440 -0.781 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855671 810286679 /nfs/dbraw/zinc/28/66/79/810286679.db2.gz KNADKYGKLPKDSX-QKCSRTOESA-N 1 3 339.440 -0.781 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214952576 810294788 /nfs/dbraw/zinc/29/47/88/810294788.db2.gz BXXWNWVZXNWSBB-RBSFLKMASA-N 1 3 342.484 -0.084 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571159 810336365 /nfs/dbraw/zinc/33/63/65/810336365.db2.gz BXXWNWVZXNWSBB-KFWWJZLASA-N 1 3 342.484 -0.084 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1)N(C)C ZINC001215571445 810336537 /nfs/dbraw/zinc/33/65/37/810336537.db2.gz OJYCQOSPKZEECF-BMFZPTHFSA-N 1 3 342.484 -0.084 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216002235 810354979 /nfs/dbraw/zinc/35/49/79/810354979.db2.gz PDHOWPJGUXKSEW-CHWSQXEVSA-N 1 3 339.440 -0.684 20 0 EBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCCS(C)(=O)=O ZINC001216382833 810371767 /nfs/dbraw/zinc/37/17/67/810371767.db2.gz DKBQFVLKMSZDKI-MGPQQGTHSA-N 1 3 331.482 -0.191 20 0 EBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCCS(C)(=O)=O ZINC001216382833 810371775 /nfs/dbraw/zinc/37/17/75/810371775.db2.gz DKBQFVLKMSZDKI-MGPQQGTHSA-N 1 3 331.482 -0.191 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001216511559 810375328 /nfs/dbraw/zinc/37/53/28/810375328.db2.gz UDGKSZRKCMLKQP-FRRDWIJNSA-N 1 3 341.456 -0.262 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001216511559 810375334 /nfs/dbraw/zinc/37/53/34/810375334.db2.gz UDGKSZRKCMLKQP-FRRDWIJNSA-N 1 3 341.456 -0.262 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001218146181 810479081 /nfs/dbraw/zinc/47/90/81/810479081.db2.gz WMLDWJONTPHAIY-JZYVYDRUSA-N 1 3 336.392 -0.253 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)COC1(C)C ZINC001218641809 810515426 /nfs/dbraw/zinc/51/54/26/810515426.db2.gz VZALIRRNAGIYNM-CABZTGNLSA-N 1 3 336.396 -0.723 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218895353 810542890 /nfs/dbraw/zinc/54/28/90/810542890.db2.gz NFEUFVAZRGLFMD-GWCFXTLKSA-N 1 3 349.435 -0.431 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 ZINC001218965740 810549095 /nfs/dbraw/zinc/54/90/95/810549095.db2.gz RUYMCJSCLPGISI-OWCLPIDISA-N 1 3 341.452 -0.487 20 0 EBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839355 810872387 /nfs/dbraw/zinc/87/23/87/810872387.db2.gz YWZACXLOJYWOJW-ORIJERBGSA-N 1 3 329.416 -0.165 20 0 EBADHO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc2c(n1)CCNC2 ZINC001219843844 810874714 /nfs/dbraw/zinc/87/47/14/810874714.db2.gz DPTAALXWLGXADW-SCLBCKFNSA-N 1 3 346.431 -0.148 20 0 EBADHO COC(=O)C1(NC(=O)[C@@H]2CC[C@@]3(C2)CNCCO3)CC[NH2+]CC1 ZINC001220001116 810942306 /nfs/dbraw/zinc/94/23/06/810942306.db2.gz HZQSTLSNGUABGB-IUODEOHRSA-N 1 3 325.409 -0.444 20 0 EBADHO [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2COC3(CNC3)CN2)COC1 ZINC001220020487 810950630 /nfs/dbraw/zinc/95/06/30/810950630.db2.gz KUFCFRDCAPOWEF-HNNXBMFYSA-N 1 3 346.431 -0.927 20 0 EBADHO COC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CCOCC1 ZINC001220025621 810953670 /nfs/dbraw/zinc/95/36/70/810953670.db2.gz TVVMGNNRNMQAOF-DVOMOZLQSA-N 1 3 325.409 -0.730 20 0 EBADHO CCOC(=O)C(=CNC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)OCC ZINC001220041581 810957158 /nfs/dbraw/zinc/95/71/58/810957158.db2.gz RQSJEXCXUPFPQC-GFCCVEGCSA-N 1 3 327.381 -0.560 20 0 EBADHO O=C(NCCCCCCN1C(=O)C=CC1=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220126759 810992808 /nfs/dbraw/zinc/99/28/08/810992808.db2.gz CKGHLBLXHLZSJU-ZDUSSCGKSA-N 1 3 334.420 -0.603 20 0 EBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)O1 ZINC001220481432 811123398 /nfs/dbraw/zinc/12/33/98/811123398.db2.gz HBEPCFNPPDAXIH-VPWBDBDCSA-N 1 3 342.440 -0.833 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2OC(C)=O)CCNC1 ZINC001220523521 811138757 /nfs/dbraw/zinc/13/87/57/811138757.db2.gz RCNWSELIEWEDRY-DGCLKSJQSA-N 1 3 325.365 -0.936 20 0 EBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(=O)OC(C)(C)C)NC ZINC001220583659 811166338 /nfs/dbraw/zinc/16/63/38/811166338.db2.gz SUUWHAPMDLAFRZ-NSHDSACASA-N 1 3 331.413 -0.343 20 0 EBADHO O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220727462 811220291 /nfs/dbraw/zinc/22/02/91/811220291.db2.gz GYOFLXNIXSDMQD-YCPHGPKFSA-N 1 3 328.416 -0.069 20 0 EBADHO O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1COC2(CNC2)CN1 ZINC001220743910 811224846 /nfs/dbraw/zinc/22/48/46/811224846.db2.gz VEHFSSDMDPSDBS-OAHLLOKOSA-N 1 3 331.420 -0.503 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCc1c[nH]c2ccncc12 ZINC001220866313 811273236 /nfs/dbraw/zinc/27/32/36/811273236.db2.gz UYICBSNPNOSKIY-UHFFFAOYSA-N 1 3 339.421 -0.558 20 0 EBADHO CS(=O)(=O)N1CCC(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001220926489 811296131 /nfs/dbraw/zinc/29/61/31/811296131.db2.gz OLIPHMHDGSMMLA-ZDUSSCGKSA-N 1 3 332.470 -0.899 20 0 EBADHO CC(C)COC[C@@H](O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979933 811323004 /nfs/dbraw/zinc/32/30/04/811323004.db2.gz YUIOTLMHGBZKIW-XHSDSOJGSA-N 1 3 343.468 -0.723 20 0 EBADHO COC(=O)CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(N)=O ZINC001221018747 811345940 /nfs/dbraw/zinc/34/59/40/811345940.db2.gz JLAXGVKJXMZEQJ-RYUDHWBXSA-N 1 3 330.429 -0.595 20 0 EBADHO COc1cccc(CNC(=O)CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001221060950 811357524 /nfs/dbraw/zinc/35/75/24/811357524.db2.gz UUQSDQJZLWNBGA-RDTXWAMCSA-N 1 3 346.431 -0.373 20 0 EBADHO CCCC(C[NH3+])(CCC)NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001221375358 811447199 /nfs/dbraw/zinc/44/71/99/811447199.db2.gz XUSPATVUWVAQOA-NWDGAFQWSA-N 1 3 343.472 -0.502 20 0 EBADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162550 811797024 /nfs/dbraw/zinc/79/70/24/811797024.db2.gz HLHCDZFDCSBGAA-CQSZACIVSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001227056205 811900550 /nfs/dbraw/zinc/90/05/50/811900550.db2.gz BCZOJRMRJDRUAN-MGPQQGTHSA-N 1 3 348.513 -0.107 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001230138750 812080085 /nfs/dbraw/zinc/08/00/85/812080085.db2.gz QZWHVGBRUMGPJZ-BFHYXJOUSA-N 1 3 331.482 0.000 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001230138750 812080095 /nfs/dbraw/zinc/08/00/95/812080095.db2.gz QZWHVGBRUMGPJZ-BFHYXJOUSA-N 1 3 331.482 0.000 20 0 EBADHO CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)CN2CCOCC2)CC1 ZINC001230275259 812095911 /nfs/dbraw/zinc/09/59/11/812095911.db2.gz KGCGURXXJHRBKD-HIFRSBDPSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786240 812231916 /nfs/dbraw/zinc/23/19/16/812231916.db2.gz CNARLEXIDMUFRX-BZUAXINKSA-N 1 3 347.463 -0.224 20 0 EBADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(-c2nnn[n-]2)c1 ZINC001236310651 812516859 /nfs/dbraw/zinc/51/68/59/812516859.db2.gz LHASVGMJVLBGKM-UHFFFAOYSA-N 1 3 346.439 -0.518 20 0 EBADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(-c2nn[n-]n2)c1 ZINC001236310651 812516861 /nfs/dbraw/zinc/51/68/61/812516861.db2.gz LHASVGMJVLBGKM-UHFFFAOYSA-N 1 3 346.439 -0.518 20 0 EBADHO COC(=O)c1ccc([C@@H](N)CNS(=O)(=O)[C@H]2CC[NH2+]C2)cc1 ZINC001238919188 812535599 /nfs/dbraw/zinc/53/55/99/812535599.db2.gz JAQVEWALRFDAAL-STQMWFEESA-N 1 3 327.406 -0.246 20 0 EBADHO CN(C)CCn1c(=O)ccc2c1CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239074897 812540824 /nfs/dbraw/zinc/54/08/24/812540824.db2.gz IBSIKKAFRYUOOZ-UHFFFAOYSA-N 1 3 342.465 -0.901 20 0 EBADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCOC[C@]2(CNCCO2)C1 ZINC001246026833 812559398 /nfs/dbraw/zinc/55/93/98/812559398.db2.gz FHNNYDFWNAOODR-KSZLIROESA-N 1 3 335.448 -0.392 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246594044 812576522 /nfs/dbraw/zinc/57/65/22/812576522.db2.gz IVZOEYGALFGIKW-ZSOGYDGISA-N 1 3 339.436 -0.245 20 0 EBADHO c1ncc(O[C@@H]2C[C@@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CCN3C2)cn1 ZINC001246706176 812581368 /nfs/dbraw/zinc/58/13/68/812581368.db2.gz BOJAZWCQMKUGBM-BZUAXINKSA-N 1 3 344.463 -0.292 20 0 EBADHO CC(C)NC(=O)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246753160 812586399 /nfs/dbraw/zinc/58/63/99/812586399.db2.gz BNLZYSMQMAWKBT-LBPRGKRZSA-N 1 3 332.452 -0.067 20 0 EBADHO O=S1(=O)CCN(C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246820421 812588750 /nfs/dbraw/zinc/58/87/50/812588750.db2.gz OQRGQNYKAITCIR-HNNXBMFYSA-N 1 3 342.509 -0.725 20 0 EBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN)CCN1C(=O)OC(C)(C)C ZINC001256491000 812733884 /nfs/dbraw/zinc/73/38/84/812733884.db2.gz ZVNABMJIFTUBPI-WOPDTQHZSA-N 1 3 331.413 -0.163 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081505252 813092143 /nfs/dbraw/zinc/09/21/43/813092143.db2.gz CZQZGFIESXBFBY-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001081505452 813094341 /nfs/dbraw/zinc/09/43/41/813094341.db2.gz GKMWLUCOXAGPSU-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001081505452 813094349 /nfs/dbraw/zinc/09/43/49/813094349.db2.gz GKMWLUCOXAGPSU-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO C[N@@H+]1CCCN(CCCNC(=O)CN2CCC(CO)CC2)CC1 ZINC001262608409 813097921 /nfs/dbraw/zinc/09/79/21/813097921.db2.gz GRGWDGGARUTIPR-UHFFFAOYSA-N 1 3 326.485 -0.166 20 0 EBADHO C[N@H+]1CCCN(CCCNC(=O)CN2CCC(CO)CC2)CC1 ZINC001262608409 813097932 /nfs/dbraw/zinc/09/79/32/813097932.db2.gz GRGWDGGARUTIPR-UHFFFAOYSA-N 1 3 326.485 -0.166 20 0 EBADHO CN1CCC[N@H+](CCCNC(=O)CN2CCC(CO)CC2)CC1 ZINC001262608409 813097941 /nfs/dbraw/zinc/09/79/41/813097941.db2.gz GRGWDGGARUTIPR-UHFFFAOYSA-N 1 3 326.485 -0.166 20 0 EBADHO CN1CCC[N@@H+](CCCNC(=O)CN2CCC(CO)CC2)CC1 ZINC001262608409 813097950 /nfs/dbraw/zinc/09/79/50/813097950.db2.gz GRGWDGGARUTIPR-UHFFFAOYSA-N 1 3 326.485 -0.166 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001081553354 813166005 /nfs/dbraw/zinc/16/60/05/813166005.db2.gz IJNYIUCSHJDAOW-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001081553354 813166010 /nfs/dbraw/zinc/16/60/10/813166010.db2.gz IJNYIUCSHJDAOW-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081553710 813168098 /nfs/dbraw/zinc/16/80/98/813168098.db2.gz MIWJKVAFMNFKHR-UONOGXRCSA-N 1 3 328.457 -0.786 20 0 EBADHO CS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265905864 813409756 /nfs/dbraw/zinc/40/97/56/813409756.db2.gz XZYBGNKYUYQVJM-UONOGXRCSA-N 1 3 344.481 -0.932 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733169 813488852 /nfs/dbraw/zinc/48/88/52/813488852.db2.gz PXUVWJAOGMTXJD-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001081775065 813544827 /nfs/dbraw/zinc/54/48/27/813544827.db2.gz WVPPSIOGAAWKMT-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081775065 813544835 /nfs/dbraw/zinc/54/48/35/813544835.db2.gz WVPPSIOGAAWKMT-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266730961 813653792 /nfs/dbraw/zinc/65/37/92/813653792.db2.gz MDVNTWPTXQINTK-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266730961 813653795 /nfs/dbraw/zinc/65/37/95/813653795.db2.gz MDVNTWPTXQINTK-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[C@H](C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833982 813680407 /nfs/dbraw/zinc/68/04/07/813680407.db2.gz CBINEASBBXFPTQ-QWHCGFSZSA-N 1 3 326.441 -0.040 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001267001829 813727908 /nfs/dbraw/zinc/72/79/08/813727908.db2.gz BJYDQVHTEXMZOZ-KBPBESRZSA-N 1 3 328.457 -0.737 20 0 EBADHO O=C(NC[C@H]1CCCN1CCOCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001267266256 813810885 /nfs/dbraw/zinc/81/08/85/813810885.db2.gz CBVPJADKWYJRCG-CVEARBPZSA-N 1 3 325.453 -0.082 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267412654 813883888 /nfs/dbraw/zinc/88/38/88/813883888.db2.gz OMCKBWDEILOPNF-UHFFFAOYSA-N 1 3 341.456 -0.246 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267418283 813886163 /nfs/dbraw/zinc/88/61/63/813886163.db2.gz DPQQQHDKDCSALH-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267418283 813886175 /nfs/dbraw/zinc/88/61/75/813886175.db2.gz DPQQQHDKDCSALH-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082448152 813947886 /nfs/dbraw/zinc/94/78/86/813947886.db2.gz GGILYDDNAYBQCW-KFWWJZLASA-N 1 3 338.452 -0.624 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1NCC(N)=O ZINC001082558183 813967389 /nfs/dbraw/zinc/96/73/89/813967389.db2.gz CWRDTFSERGGXJK-YUELXQCFSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1NCC(N)=O ZINC001082558183 813967393 /nfs/dbraw/zinc/96/73/93/813967393.db2.gz CWRDTFSERGGXJK-YUELXQCFSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1NCC(N)=O ZINC001082558182 813967622 /nfs/dbraw/zinc/96/76/22/813967622.db2.gz CWRDTFSERGGXJK-BPLDGKMQSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1NCC(N)=O ZINC001082558182 813967627 /nfs/dbraw/zinc/96/76/27/813967627.db2.gz CWRDTFSERGGXJK-BPLDGKMQSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082919731 814024459 /nfs/dbraw/zinc/02/44/59/814024459.db2.gz CSEISJCZTPIDID-RBSFLKMASA-N 1 3 338.452 -0.767 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082919731 814024467 /nfs/dbraw/zinc/02/44/67/814024467.db2.gz CSEISJCZTPIDID-RBSFLKMASA-N 1 3 338.452 -0.767 20 0 EBADHO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268087059 814121209 /nfs/dbraw/zinc/12/12/09/814121209.db2.gz PEOOQPPEGNVRGU-OLZOCXBDSA-N 1 3 334.486 -0.686 20 0 EBADHO CCS(=O)(=O)NCCNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268660589 814342310 /nfs/dbraw/zinc/34/23/10/814342310.db2.gz RKIBOIQDPOOPKU-GFCCVEGCSA-N 1 3 334.486 -0.638 20 0 EBADHO CN(CCC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCCCN1C ZINC001268801648 814390875 /nfs/dbraw/zinc/39/08/75/814390875.db2.gz HKIYMGOYIJHPCI-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001268848144 814412861 /nfs/dbraw/zinc/41/28/61/814412861.db2.gz RSBJEFADTLZCBA-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083654898 814664900 /nfs/dbraw/zinc/66/49/00/814664900.db2.gz LMCIVJKSEHRXFK-OWQJAQGESA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083654898 814664908 /nfs/dbraw/zinc/66/49/08/814664908.db2.gz LMCIVJKSEHRXFK-OWQJAQGESA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083654899 814665252 /nfs/dbraw/zinc/66/52/52/814665252.db2.gz LMCIVJKSEHRXFK-PLQZLIEUSA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083654899 814665257 /nfs/dbraw/zinc/66/52/57/814665257.db2.gz LMCIVJKSEHRXFK-PLQZLIEUSA-N 1 3 335.448 -0.189 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001269415278 814682681 /nfs/dbraw/zinc/68/26/81/814682681.db2.gz BTWGHMVOAMRYJT-QWHCGFSZSA-N 1 3 346.497 -0.496 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001269415278 814682686 /nfs/dbraw/zinc/68/26/86/814682686.db2.gz BTWGHMVOAMRYJT-QWHCGFSZSA-N 1 3 346.497 -0.496 20 0 EBADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001269471245 814705978 /nfs/dbraw/zinc/70/59/78/814705978.db2.gz HQYYROLNOVALPV-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCCC[NH+](C)C)C(=O)NC(N)=O ZINC001270293198 815743939 /nfs/dbraw/zinc/74/39/39/815743939.db2.gz KJFUWHQGQXYKLL-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001270847437 815913169 /nfs/dbraw/zinc/91/31/69/815913169.db2.gz NBDKAJFEONZYSF-HNNXBMFYSA-N 1 3 348.513 -0.296 20 0 EBADHO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001085279611 816036034 /nfs/dbraw/zinc/03/60/34/816036034.db2.gz UKFCRURPGZGTME-JEFPAAPESA-N 1 3 336.436 -0.648 20 0 EBADHO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086432569 816333122 /nfs/dbraw/zinc/33/31/22/816333122.db2.gz YTCDLSGPKLKELD-YGBQRXDESA-N 1 3 348.447 -0.778 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CC[NH2+]Cc1nnnn1C ZINC001273184882 816602661 /nfs/dbraw/zinc/60/26/61/816602661.db2.gz UTAHQYHEVMOPEJ-OLZOCXBDSA-N 1 3 339.444 -0.837 20 0 EBADHO CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)CN1CCCC1 ZINC001273753581 816749492 /nfs/dbraw/zinc/74/94/92/816749492.db2.gz VUVMIJRGLFCVJF-UHFFFAOYSA-N 1 3 346.497 -0.444 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C[C@H](O)Cn1cccn1 ZINC001088984102 816774358 /nfs/dbraw/zinc/77/43/58/816774358.db2.gz HGEBRRWOALEGBM-PMPSAXMXSA-N 1 3 347.463 -0.081 20 0 EBADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(CC(=O)NC3CC3)C2)C1=O ZINC001273829932 816777037 /nfs/dbraw/zinc/77/70/37/816777037.db2.gz RNUXPFSNEQBTPG-KRWDZBQOSA-N 1 3 336.436 -0.332 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001274026572 816843599 /nfs/dbraw/zinc/84/35/99/816843599.db2.gz RKFGXFCGHGUDNC-OEFFGFFESA-N 1 3 339.440 -0.295 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001274026572 816843612 /nfs/dbraw/zinc/84/36/12/816843612.db2.gz RKFGXFCGHGUDNC-OEFFGFFESA-N 1 3 339.440 -0.295 20 0 EBADHO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894465 816935112 /nfs/dbraw/zinc/93/51/12/816935112.db2.gz UZFDVVNQZFGADC-JJXSEGSLSA-N 1 3 346.475 -0.003 20 0 EBADHO CNC(=O)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894467 816935156 /nfs/dbraw/zinc/93/51/56/816935156.db2.gz UZFDVVNQZFGADC-JONQDZQNSA-N 1 3 346.475 -0.003 20 0 EBADHO CN(C)C(=O)CN1C[C@@H]2C(=O)NC3(CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001275136925 817155178 /nfs/dbraw/zinc/15/51/78/817155178.db2.gz GBPCLLURCMPIFF-GJZGRUSLSA-N 1 3 334.464 -0.003 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)n1 ZINC001090270906 817212424 /nfs/dbraw/zinc/21/24/24/817212424.db2.gz CVSSEUNSTPGEKC-ZFWWWQNUSA-N 1 3 341.431 -0.031 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001276048729 817347796 /nfs/dbraw/zinc/34/77/96/817347796.db2.gz XBTCKGSBACNOEF-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)cn1 ZINC001090637219 817602703 /nfs/dbraw/zinc/60/27/03/817602703.db2.gz IUQFIBQGWGGNAS-HUUCEWRRSA-N 1 3 341.431 -0.031 20 0 EBADHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCC(=O)NC1=O ZINC001277994924 817671514 /nfs/dbraw/zinc/67/15/14/817671514.db2.gz KYTGEQNURWXOQW-OLZOCXBDSA-N 1 3 326.441 -0.040 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCC(=O)NC1=O ZINC001277994924 817671520 /nfs/dbraw/zinc/67/15/20/817671520.db2.gz KYTGEQNURWXOQW-OLZOCXBDSA-N 1 3 326.441 -0.040 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001278582732 817783506 /nfs/dbraw/zinc/78/35/06/817783506.db2.gz OWZILTPPUFPOJS-GUYCJALGSA-N 1 3 338.452 -0.040 20 0 EBADHO CN(C[C@@H](O)CNCCS(C)(=O)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278789767 817832330 /nfs/dbraw/zinc/83/23/30/817832330.db2.gz ACPKXUWTTJCALJ-ZDUSSCGKSA-N 1 3 349.497 -0.686 20 0 EBADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001096545990 818851390 /nfs/dbraw/zinc/85/13/90/818851390.db2.gz VWYBYPGZBYTOHY-ILXRZTDVSA-N 1 3 335.452 -0.171 20 0 EBADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096545990 818851396 /nfs/dbraw/zinc/85/13/96/818851396.db2.gz VWYBYPGZBYTOHY-ILXRZTDVSA-N 1 3 335.452 -0.171 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553572 818853815 /nfs/dbraw/zinc/85/38/15/818853815.db2.gz NTBFAPXPDKXKCI-UONOGXRCSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCCNS(C)(=O)=O)CC[N@@H+]1C ZINC001283613394 818880459 /nfs/dbraw/zinc/88/04/59/818880459.db2.gz WUQPJDMLDFTGEL-HZSPNIEDSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCCNS(C)(=O)=O)CC[N@H+]1C ZINC001283613394 818880464 /nfs/dbraw/zinc/88/04/64/818880464.db2.gz WUQPJDMLDFTGEL-HZSPNIEDSA-N 1 3 348.513 -0.298 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001283938794 819036353 /nfs/dbraw/zinc/03/63/53/819036353.db2.gz JZJPCRVSOWDUSN-GOEBONIOSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004980 819060088 /nfs/dbraw/zinc/06/00/88/819060088.db2.gz UUSXRUBWQOYKHE-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373643 819156801 /nfs/dbraw/zinc/15/68/01/819156801.db2.gz JDRCPQWEUDTLNN-HZPDHXFCSA-N 1 3 341.452 -0.873 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNCCS(C)(=O)=O)CC[N@@H+]1C ZINC001284419064 819223005 /nfs/dbraw/zinc/22/30/05/819223005.db2.gz YJEGTRRGINBVQU-HZSPNIEDSA-N 1 3 349.497 -0.830 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNCCS(C)(=O)=O)CC[N@H+]1C ZINC001284419064 819223010 /nfs/dbraw/zinc/22/30/10/819223010.db2.gz YJEGTRRGINBVQU-HZSPNIEDSA-N 1 3 349.497 -0.830 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098572650 819251971 /nfs/dbraw/zinc/25/19/71/819251971.db2.gz SPYHEPNAHSPHGA-UHFFFAOYSA-N 1 3 345.484 -0.379 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098572650 819251976 /nfs/dbraw/zinc/25/19/76/819251976.db2.gz SPYHEPNAHSPHGA-UHFFFAOYSA-N 1 3 345.484 -0.379 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)CCOCC[NH2+][C@@H]1CCNC1=O ZINC001284878792 819387401 /nfs/dbraw/zinc/38/74/01/819387401.db2.gz VGUSKVADZBQXDJ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971929 819975367 /nfs/dbraw/zinc/97/53/67/819975367.db2.gz OFWUTUJVOQAELB-HZPDHXFCSA-N 1 3 349.479 -0.144 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C[C@@H]1O ZINC001100063666 820144925 /nfs/dbraw/zinc/14/49/25/820144925.db2.gz AWQWXCMIXWVLCX-CVEARBPZSA-N 1 3 337.468 -0.144 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C[C@@H]1O ZINC001100063666 820144928 /nfs/dbraw/zinc/14/49/28/820144928.db2.gz AWQWXCMIXWVLCX-CVEARBPZSA-N 1 3 337.468 -0.144 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001100442416 820423773 /nfs/dbraw/zinc/42/37/73/820423773.db2.gz GUKVIAOKYDIJOK-JXQTWKCFSA-N 1 3 348.513 -0.298 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1 ZINC001100901677 820593980 /nfs/dbraw/zinc/59/39/80/820593980.db2.gz IUASJCSTZRMVLY-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001101036401 820661397 /nfs/dbraw/zinc/66/13/97/820661397.db2.gz PSGZXSZQWHYAMT-BPCQOVAHSA-N 1 3 339.440 -0.460 20 0 EBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584484 821331259 /nfs/dbraw/zinc/33/12/59/821331259.db2.gz WALCWTKETKKSPG-ZIAGYGMSSA-N 1 3 340.468 -0.343 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001316623694 821819891 /nfs/dbraw/zinc/81/98/91/821819891.db2.gz HVWFFSVTLAIGLN-MJBXVCDLSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316992603 821965555 /nfs/dbraw/zinc/96/55/55/821965555.db2.gz RUNNBEATFWCFCM-HOTGVXAUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001316992603 821965560 /nfs/dbraw/zinc/96/55/60/821965560.db2.gz RUNNBEATFWCFCM-HOTGVXAUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001317334522 822086482 /nfs/dbraw/zinc/08/64/82/822086482.db2.gz BJBNMHNDOMRXJM-OLZOCXBDSA-N 1 3 334.486 -0.686 20 0 EBADHO CC[C@H](C(=O)N(C)CC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001317654469 822192832 /nfs/dbraw/zinc/19/28/32/822192832.db2.gz LKKYOKPBQZHJCM-CYBMUJFWSA-N 1 3 334.486 -0.590 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106249257 822237839 /nfs/dbraw/zinc/23/78/39/822237839.db2.gz DSLBRVHQGVOCRB-QKCSRTOESA-N 1 3 339.440 -0.794 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106705257 822314986 /nfs/dbraw/zinc/31/49/86/822314986.db2.gz ZAERMYGXDBLFQW-IIAWOOMASA-N 1 3 346.435 -0.106 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132294 828419735 /nfs/dbraw/zinc/41/97/35/828419735.db2.gz BXVOXBVIFNMZOM-ZBFHGGJFSA-N 1 3 347.463 -0.190 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132294 828419739 /nfs/dbraw/zinc/41/97/39/828419739.db2.gz BXVOXBVIFNMZOM-ZBFHGGJFSA-N 1 3 347.463 -0.190 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129339562 828600393 /nfs/dbraw/zinc/60/03/93/828600393.db2.gz GPMIVURHBZCQDR-LBPRGKRZSA-N 1 3 327.429 -0.874 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129339562 828600394 /nfs/dbraw/zinc/60/03/94/828600394.db2.gz GPMIVURHBZCQDR-LBPRGKRZSA-N 1 3 327.429 -0.874 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356057 828603268 /nfs/dbraw/zinc/60/32/68/828603268.db2.gz AWCPCHPDEZOLQQ-KGLIPLIRSA-N 1 3 331.457 -0.411 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129351093 828603424 /nfs/dbraw/zinc/60/34/24/828603424.db2.gz KOSLUUQQCLLAHK-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)CCC1 ZINC001129363011 828604386 /nfs/dbraw/zinc/60/43/86/828604386.db2.gz DGTFLZBRLBIXGL-LSDHHAIUSA-N 1 3 343.468 -0.267 20 0 EBADHO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433674 828619317 /nfs/dbraw/zinc/61/93/17/828619317.db2.gz LMYDKTVPWHIQQC-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433674 828619319 /nfs/dbraw/zinc/61/93/19/828619319.db2.gz LMYDKTVPWHIQQC-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)C1CCC1 ZINC001129535059 828632160 /nfs/dbraw/zinc/63/21/60/828632160.db2.gz HTRSKBUSOOULKW-UHFFFAOYSA-N 1 3 325.413 -0.882 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769553 824434006 /nfs/dbraw/zinc/43/40/06/824434006.db2.gz VFFZUEOPOXGHGT-LOWVWBTDSA-N 1 3 348.407 -0.623 20 0 EBADHO CN(CCNCCNC(=O)CC[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001129840441 828680433 /nfs/dbraw/zinc/68/04/33/828680433.db2.gz GHNGSFWWIHGMKD-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CN(CCNCCNC(=O)CC[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001129840441 828680440 /nfs/dbraw/zinc/68/04/40/828680440.db2.gz GHNGSFWWIHGMKD-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950265 828699229 /nfs/dbraw/zinc/69/92/29/828699229.db2.gz PUYDTNNTNICZJB-KBPBESRZSA-N 1 3 330.473 -0.180 20 0 EBADHO CC(C)OCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994361 828710064 /nfs/dbraw/zinc/71/00/64/828710064.db2.gz JWSCFMJDSIMYFL-CABCVRRESA-N 1 3 338.456 -0.004 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130047555 828721880 /nfs/dbraw/zinc/72/18/80/828721880.db2.gz GSMHBOYNVBEONO-ZNMIVQPWSA-N 1 3 338.456 -0.004 20 0 EBADHO C[C@@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC(N)=O ZINC001130173214 828745457 /nfs/dbraw/zinc/74/54/57/828745457.db2.gz BRAFFDNWKIKJKW-LLVKDONJSA-N 1 3 325.413 -0.848 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)N(C)C ZINC001130200824 828754072 /nfs/dbraw/zinc/75/40/72/828754072.db2.gz OGSFFZKWOOIAOU-CHWSQXEVSA-N 1 3 343.472 -0.097 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189005 828752169 /nfs/dbraw/zinc/75/21/69/828752169.db2.gz LOSSEPZMBBTBAH-KGLIPLIRSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189005 828752174 /nfs/dbraw/zinc/75/21/74/828752174.db2.gz LOSSEPZMBBTBAH-KGLIPLIRSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189006 828752310 /nfs/dbraw/zinc/75/23/10/828752310.db2.gz LOSSEPZMBBTBAH-UONOGXRCSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130189006 828752311 /nfs/dbraw/zinc/75/23/11/828752311.db2.gz LOSSEPZMBBTBAH-UONOGXRCSA-N 1 3 346.497 -0.352 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)N(C)C ZINC001130203704 828755275 /nfs/dbraw/zinc/75/52/75/828755275.db2.gz UGOZSZLBWOKZJG-WDEREUQCSA-N 1 3 329.363 -0.028 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NCCCOC ZINC001130421919 828827637 /nfs/dbraw/zinc/82/76/37/828827637.db2.gz ORQIIBGAEMWIQO-CYBMUJFWSA-N 1 3 330.473 -0.036 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NCCCOC ZINC001130421919 828827645 /nfs/dbraw/zinc/82/76/45/828827645.db2.gz ORQIIBGAEMWIQO-CYBMUJFWSA-N 1 3 330.473 -0.036 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001130424812 828830124 /nfs/dbraw/zinc/83/01/24/828830124.db2.gz CHZQKGRUOYKGKQ-UHFFFAOYSA-N 1 3 336.502 -0.248 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179852350 833017778 /nfs/dbraw/zinc/01/77/78/833017778.db2.gz LCHNPENENSLPIH-SRVKXCTJSA-N 1 3 327.429 -0.509 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179852350 833017785 /nfs/dbraw/zinc/01/77/85/833017785.db2.gz LCHNPENENSLPIH-SRVKXCTJSA-N 1 3 327.429 -0.509 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131591 833045530 /nfs/dbraw/zinc/04/55/30/833045530.db2.gz HNUBLHIAFFZIEM-AVGNSLFASA-N 1 3 339.440 -0.495 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001115125727 826427986 /nfs/dbraw/zinc/42/79/86/826427986.db2.gz BDMNVVFOYJWBKV-HALDLXJZSA-N 1 3 338.452 -0.767 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)COC2CCOCC2)C1 ZINC001118148224 826859896 /nfs/dbraw/zinc/85/98/96/826859896.db2.gz SNHWPXRECANZKA-CABCVRRESA-N 1 3 343.468 -0.280 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)COC2CCOCC2)C1 ZINC001118148224 826859909 /nfs/dbraw/zinc/85/99/09/826859909.db2.gz SNHWPXRECANZKA-CABCVRRESA-N 1 3 343.468 -0.280 20 0 EBADHO CN(CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC001119354731 827101271 /nfs/dbraw/zinc/10/12/71/827101271.db2.gz LRFLBLKAZAKKLA-ONGXEEELSA-N 1 3 336.358 -0.208 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001121996092 827499525 /nfs/dbraw/zinc/49/95/25/827499525.db2.gz CMGQSAWZOUPWAY-BRWVUGGUSA-N 1 3 337.512 -0.093 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001182692454 833252351 /nfs/dbraw/zinc/25/23/51/833252351.db2.gz KFANBARFIYZJKB-GRYCIOLGSA-N 1 3 325.413 -0.898 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001182692454 833252355 /nfs/dbraw/zinc/25/23/55/833252355.db2.gz KFANBARFIYZJKB-GRYCIOLGSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001124866466 827969084 /nfs/dbraw/zinc/96/90/84/827969084.db2.gz DFLFYRFSPWEEAU-JQWIXIFHSA-N 1 3 325.413 -0.837 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872553 827972383 /nfs/dbraw/zinc/97/23/83/827972383.db2.gz KFTUYXFUTYDKSC-RYUDHWBXSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872551 827972402 /nfs/dbraw/zinc/97/24/02/827972402.db2.gz KFTUYXFUTYDKSC-NEPJUHHUSA-N 1 3 341.456 -0.201 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183039435 833277743 /nfs/dbraw/zinc/27/77/43/833277743.db2.gz KBKRHJNGGAENBL-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001183039435 833277747 /nfs/dbraw/zinc/27/77/47/833277747.db2.gz KBKRHJNGGAENBL-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001183240542 833284705 /nfs/dbraw/zinc/28/47/05/833284705.db2.gz JZSMGMOOSWCHQV-WDEREUQCSA-N 1 3 325.413 -0.755 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183391316 833289170 /nfs/dbraw/zinc/28/91/70/833289170.db2.gz OAIDWEBEQMNLJD-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183391316 833289172 /nfs/dbraw/zinc/28/91/72/833289172.db2.gz OAIDWEBEQMNLJD-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001183592220 833296039 /nfs/dbraw/zinc/29/60/39/833296039.db2.gz OTIMYZJTUBGBTP-IJLUTSLNSA-N 1 3 327.429 -0.639 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581502 833296216 /nfs/dbraw/zinc/29/62/16/833296216.db2.gz LABFDMQXRKKLTI-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001127066614 828246913 /nfs/dbraw/zinc/24/69/13/828246913.db2.gz QPCIGVPOBQVMPO-CYBMUJFWSA-N 1 3 339.440 -0.447 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001127066614 828246918 /nfs/dbraw/zinc/24/69/18/828246918.db2.gz QPCIGVPOBQVMPO-CYBMUJFWSA-N 1 3 339.440 -0.447 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257230 828269171 /nfs/dbraw/zinc/26/91/71/828269171.db2.gz WQAOWJJNKNLDEE-NWDGAFQWSA-N 1 3 325.413 -0.978 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257230 828269180 /nfs/dbraw/zinc/26/91/80/828269180.db2.gz WQAOWJJNKNLDEE-NWDGAFQWSA-N 1 3 325.413 -0.978 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575875 828303740 /nfs/dbraw/zinc/30/37/40/828303740.db2.gz CWWFSRCNYZNOIU-UHFFFAOYSA-N 1 3 338.456 -0.369 20 0 EBADHO C[C@@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC1CC1 ZINC001127562353 828303986 /nfs/dbraw/zinc/30/39/86/828303986.db2.gz IGRZXEARQJZNQA-GFCCVEGCSA-N 1 3 336.440 -0.569 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001127659413 828312557 /nfs/dbraw/zinc/31/25/57/828312557.db2.gz AFQAJDZTTUTVRW-DMDPSCGWSA-N 1 3 339.440 -0.591 20 0 EBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001127659413 828312564 /nfs/dbraw/zinc/31/25/64/828312564.db2.gz AFQAJDZTTUTVRW-DMDPSCGWSA-N 1 3 339.440 -0.591 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779957 828328208 /nfs/dbraw/zinc/32/82/08/828328208.db2.gz UKRXOLQIRQHXRW-UONOGXRCSA-N 1 3 326.441 -0.578 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779957 828328217 /nfs/dbraw/zinc/32/82/17/828328217.db2.gz UKRXOLQIRQHXRW-UONOGXRCSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184424808 833330208 /nfs/dbraw/zinc/33/02/08/833330208.db2.gz MRJMGZKEJDLFOM-DGNOSDGRSA-N 1 3 339.436 -0.951 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C12CCC[NH+]1CCC2 ZINC001130809856 828945368 /nfs/dbraw/zinc/94/53/68/828945368.db2.gz JNEDTSVEFNBHLE-UHFFFAOYSA-N 1 3 332.470 -0.740 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001184806951 833340698 /nfs/dbraw/zinc/34/06/98/833340698.db2.gz MIMAKQAVJTZHKB-VXGBXAGGSA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001185158178 833348464 /nfs/dbraw/zinc/34/84/64/833348464.db2.gz OSDFVINMPJBEMH-MELADBBJSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001185158178 833348466 /nfs/dbraw/zinc/34/84/66/833348466.db2.gz OSDFVINMPJBEMH-MELADBBJSA-N 1 3 331.482 -0.048 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1)[NH+](CC)CC ZINC001185608954 833362948 /nfs/dbraw/zinc/36/29/48/833362948.db2.gz ACHWEDUXZPONOH-KGLIPLIRSA-N 1 3 348.513 -0.154 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001185651085 833365070 /nfs/dbraw/zinc/36/50/70/833365070.db2.gz RBLLHPGBFSRRGU-UONOGXRCSA-N 1 3 346.497 -0.447 20 0 EBADHO Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520023 829151827 /nfs/dbraw/zinc/15/18/27/829151827.db2.gz RHIWLMOJQQGJOR-GNHJJJEISA-N 1 3 333.436 -0.468 20 0 EBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525647 829153555 /nfs/dbraw/zinc/15/35/55/829153555.db2.gz DGLCQHIWKHAUDJ-XCCIUEIHSA-N 1 3 338.452 -0.530 20 0 EBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525647 829153560 /nfs/dbraw/zinc/15/35/60/829153560.db2.gz DGLCQHIWKHAUDJ-XCCIUEIHSA-N 1 3 338.452 -0.530 20 0 EBADHO O=C(NCC[NH2+]C[C@H]1CCc2ncnn21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521790 829154183 /nfs/dbraw/zinc/15/41/83/829154183.db2.gz HSICVQGQSAULBL-YXXKGXSTSA-N 1 3 346.435 -0.666 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525599 829154513 /nfs/dbraw/zinc/15/45/13/829154513.db2.gz BFHIBQQRYBTHCI-JZLYGMAVSA-N 1 3 338.452 -0.530 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525599 829154518 /nfs/dbraw/zinc/15/45/18/829154518.db2.gz BFHIBQQRYBTHCI-JZLYGMAVSA-N 1 3 338.452 -0.530 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790811 829217879 /nfs/dbraw/zinc/21/78/79/829217879.db2.gz WHNNBQWNZSYDFQ-AAEUAGOBSA-N 1 3 339.440 -0.589 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131836887 829239619 /nfs/dbraw/zinc/23/96/19/829239619.db2.gz FKJOOIXPASGZGC-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001132283769 829405747 /nfs/dbraw/zinc/40/57/47/829405747.db2.gz IFGCEDMDNOGQFD-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280424 829405858 /nfs/dbraw/zinc/40/58/58/829405858.db2.gz IIINOKLNNIJBOM-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001186622826 833409958 /nfs/dbraw/zinc/40/99/58/833409958.db2.gz SDSXFNODMVIOIS-UONOGXRCSA-N 1 3 340.468 -0.236 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001132742741 829512816 /nfs/dbraw/zinc/51/28/16/829512816.db2.gz FUIJEGMJMXKZKN-NEPJUHHUSA-N 1 3 327.429 -0.602 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001132742741 829512823 /nfs/dbraw/zinc/51/28/23/829512823.db2.gz FUIJEGMJMXKZKN-NEPJUHHUSA-N 1 3 327.429 -0.602 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001132886701 829544538 /nfs/dbraw/zinc/54/45/38/829544538.db2.gz RTQDEVXODUHCBD-SOUVJXGZSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001132886701 829544544 /nfs/dbraw/zinc/54/45/44/829544544.db2.gz RTQDEVXODUHCBD-SOUVJXGZSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC001132995590 829568719 /nfs/dbraw/zinc/56/87/19/829568719.db2.gz ZUKWUHYRZOVUGJ-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC1 ZINC001133286980 829616016 /nfs/dbraw/zinc/61/60/16/829616016.db2.gz AQFUJOVYNAGMQM-CQSZACIVSA-N 1 3 326.441 -0.671 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NCC(F)(F)F)[NH+](C)C ZINC001133415861 829630090 /nfs/dbraw/zinc/63/00/90/829630090.db2.gz RMYXHPCEFKQXFQ-LLVKDONJSA-N 1 3 326.363 -0.043 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC1CCOCC1)[NH+](C)C ZINC001133415602 829630200 /nfs/dbraw/zinc/63/02/00/829630200.db2.gz GNNJGJZCGFEPAQ-OAHLLOKOSA-N 1 3 328.457 -0.426 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001133415750 829630406 /nfs/dbraw/zinc/63/04/06/829630406.db2.gz MSQDIYOWODJXRM-UKRRQHHQSA-N 1 3 328.457 -0.426 20 0 EBADHO CC[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+](CC)CC ZINC001133683908 829661055 /nfs/dbraw/zinc/66/10/55/829661055.db2.gz AOXQXSFHFIAIMX-ZDUSSCGKSA-N 1 3 336.502 -0.296 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133831906 829680753 /nfs/dbraw/zinc/68/07/53/829680753.db2.gz WMJJEXNIFHVXAL-ZDUSSCGKSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133831906 829680761 /nfs/dbraw/zinc/68/07/61/829680761.db2.gz WMJJEXNIFHVXAL-ZDUSSCGKSA-N 1 3 326.441 -0.528 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846330 829685671 /nfs/dbraw/zinc/68/56/71/829685671.db2.gz YZDXGUIJXKVMCJ-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846330 829685681 /nfs/dbraw/zinc/68/56/81/829685681.db2.gz YZDXGUIJXKVMCJ-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850689 829686792 /nfs/dbraw/zinc/68/67/92/829686792.db2.gz QAHQHNUCAXALIG-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850689 829686797 /nfs/dbraw/zinc/68/67/97/829686797.db2.gz QAHQHNUCAXALIG-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896725 829694972 /nfs/dbraw/zinc/69/49/72/829694972.db2.gz QLMNTYWNSMCHMQ-GJZGRUSLSA-N 1 3 345.484 -0.164 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)N(C)C ZINC001133966024 829707993 /nfs/dbraw/zinc/70/79/93/829707993.db2.gz UGOZSZLBWOKZJG-MNOVXSKESA-N 1 3 329.363 -0.028 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001133967962 829708055 /nfs/dbraw/zinc/70/80/55/829708055.db2.gz IXLYBWYEAZZFIN-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001133968069 829708082 /nfs/dbraw/zinc/70/80/82/829708082.db2.gz MTYGXBARDGXWTQ-PWSUYJOCSA-N 1 3 327.429 -0.591 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021256 829714609 /nfs/dbraw/zinc/71/46/09/829714609.db2.gz WHKZAFRCPJJMBL-OAHLLOKOSA-N 1 3 342.484 -0.035 20 0 EBADHO C[N@@H+]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 ZINC001134126274 829729644 /nfs/dbraw/zinc/72/96/44/829729644.db2.gz IYWUHOSLOOEDHM-KGLIPLIRSA-N 1 3 347.419 -0.768 20 0 EBADHO C[N@H+]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 ZINC001134126274 829729647 /nfs/dbraw/zinc/72/96/47/829729647.db2.gz IYWUHOSLOOEDHM-KGLIPLIRSA-N 1 3 347.419 -0.768 20 0 EBADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774270 829844066 /nfs/dbraw/zinc/84/40/66/829844066.db2.gz WZQRUOSPZSEUSW-WDEREUQCSA-N 1 3 329.445 -0.216 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706238 830013056 /nfs/dbraw/zinc/01/30/56/830013056.db2.gz QOTYERZWAKKGMN-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706432 830014179 /nfs/dbraw/zinc/01/41/79/830014179.db2.gz UTINZUVXAGHJLU-OLZOCXBDSA-N 1 3 336.502 -0.250 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959293 830051643 /nfs/dbraw/zinc/05/16/43/830051643.db2.gz NMBDIYPVPRETCA-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)NCC(C)(C)C)CC1 ZINC001135959065 830052437 /nfs/dbraw/zinc/05/24/37/830052437.db2.gz JXXSSQAVXHPTDI-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963276 830053718 /nfs/dbraw/zinc/05/37/18/830053718.db2.gz DHEGEXJWAKVUTB-CQSZACIVSA-N 1 3 342.484 -0.036 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269740 837420024 /nfs/dbraw/zinc/42/00/24/837420024.db2.gz VCSRRVXMTAGMHS-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001146711513 830222383 /nfs/dbraw/zinc/22/23/83/830222383.db2.gz ULFSMAMALMZXDL-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001146711513 830222388 /nfs/dbraw/zinc/22/23/88/830222388.db2.gz ULFSMAMALMZXDL-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333733 830323305 /nfs/dbraw/zinc/32/33/05/830323305.db2.gz WZTSHEZWZOWLMA-UHFFFAOYSA-N 1 3 339.440 -0.730 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)S(C)(=O)=O ZINC001147825108 830416343 /nfs/dbraw/zinc/41/63/43/830416343.db2.gz OKISNIZQAXEKTQ-ZIAGYGMSSA-N 1 3 348.513 -0.296 20 0 EBADHO CCCN(CCC)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147841816 830418390 /nfs/dbraw/zinc/41/83/90/830418390.db2.gz IZDTWUPBAWFGCS-UHFFFAOYSA-N 1 3 330.473 -0.081 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877582 830425107 /nfs/dbraw/zinc/42/51/07/830425107.db2.gz MFMRUTDBRTXJIG-NWDGAFQWSA-N 1 3 327.429 -0.732 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877582 830425112 /nfs/dbraw/zinc/42/51/12/830425112.db2.gz MFMRUTDBRTXJIG-NWDGAFQWSA-N 1 3 327.429 -0.732 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001147891498 830425862 /nfs/dbraw/zinc/42/58/62/830425862.db2.gz AGLHHUBMUUPOKO-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001147886603 830426039 /nfs/dbraw/zinc/42/60/39/830426039.db2.gz YMVGAEHUZUCCRI-NSHDSACASA-N 1 3 325.413 -0.978 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001147886603 830426043 /nfs/dbraw/zinc/42/60/43/830426043.db2.gz YMVGAEHUZUCCRI-NSHDSACASA-N 1 3 325.413 -0.978 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001147900766 830428536 /nfs/dbraw/zinc/42/85/36/830428536.db2.gz VOYAUKKMUVGLBB-KGLIPLIRSA-N 1 3 326.441 -0.813 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001147900766 830428538 /nfs/dbraw/zinc/42/85/38/830428538.db2.gz VOYAUKKMUVGLBB-KGLIPLIRSA-N 1 3 326.441 -0.813 20 0 EBADHO O=C(NCCN[C@H]1CCN(CC(F)(F)F)C1=O)C12CC[NH+](CC1)C2 ZINC001147994388 830435869 /nfs/dbraw/zinc/43/58/69/830435869.db2.gz GIRIJVFOZXCOSH-NSHDSACASA-N 1 3 348.369 -0.049 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881606 830774392 /nfs/dbraw/zinc/77/43/92/830774392.db2.gz PILSDJJARFWVTQ-XHSDSOJGSA-N 1 3 345.484 -0.213 20 0 EBADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001149889475 830777559 /nfs/dbraw/zinc/77/75/59/830777559.db2.gz OHPCEENIWBOSNC-RRFJBIMHSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001149889475 830777566 /nfs/dbraw/zinc/77/75/66/830777566.db2.gz OHPCEENIWBOSNC-RRFJBIMHSA-N 1 3 331.457 -0.459 20 0 EBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193742 830834569 /nfs/dbraw/zinc/83/45/69/830834569.db2.gz OSAQLGRDQRGGGA-CABCVRRESA-N 1 3 343.468 -0.457 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219275 830843045 /nfs/dbraw/zinc/84/30/45/830843045.db2.gz NUEDBTZBFQXHDZ-HOTGVXAUSA-N 1 3 343.468 -0.457 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150546569 830929275 /nfs/dbraw/zinc/92/92/75/830929275.db2.gz GMDSGSGELZZDOC-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150546569 830929279 /nfs/dbraw/zinc/92/92/79/830929279.db2.gz GMDSGSGELZZDOC-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001151160626 831036695 /nfs/dbraw/zinc/03/66/95/831036695.db2.gz WUUPSCQUIUFGHC-LBPRGKRZSA-N 1 3 339.396 -0.713 20 0 EBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152147983 831133947 /nfs/dbraw/zinc/13/39/47/831133947.db2.gz NRJGMXJZQYQVAE-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001152446463 831164056 /nfs/dbraw/zinc/16/40/56/831164056.db2.gz ZCBKSPHFUWYJRV-KBPBESRZSA-N 1 3 328.457 -0.284 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001152445652 831164351 /nfs/dbraw/zinc/16/43/51/831164351.db2.gz LYJGDLYWZAOOGZ-UHFFFAOYSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155011059 831380541 /nfs/dbraw/zinc/38/05/41/831380541.db2.gz FKYABZBDEAJCJL-CYBMUJFWSA-N 1 3 326.441 -0.086 20 0 EBADHO Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3CCCN3C)C2=O)n1 ZINC001155813680 831432451 /nfs/dbraw/zinc/43/24/51/831432451.db2.gz TWDPBEBOJWLXMD-KBPBESRZSA-N 1 3 348.451 -0.285 20 0 EBADHO CCN(CCNC(=O)C1CC1)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390796 831473521 /nfs/dbraw/zinc/47/35/21/831473521.db2.gz XJHXHVHUHJAFMV-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890635 831512625 /nfs/dbraw/zinc/51/26/25/831512625.db2.gz QYIYVEYPOBXQMP-CHWSQXEVSA-N 1 3 339.440 -0.684 20 0 EBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890635 831512628 /nfs/dbraw/zinc/51/26/28/831512628.db2.gz QYIYVEYPOBXQMP-CHWSQXEVSA-N 1 3 339.440 -0.684 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001157324543 831553932 /nfs/dbraw/zinc/55/39/32/831553932.db2.gz ZWUAAKYTJZFKMR-DVOMOZLQSA-N 1 3 326.441 -0.495 20 0 EBADHO C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157853541 831598149 /nfs/dbraw/zinc/59/81/49/831598149.db2.gz FWUGXJGTUAXIEX-AJNGGQMLSA-N 1 3 340.468 -0.337 20 0 EBADHO O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327500 831647224 /nfs/dbraw/zinc/64/72/24/831647224.db2.gz JZIZTELCRUGGEF-LZWOXQAQSA-N 1 3 326.400 -0.438 20 0 EBADHO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327679 831647256 /nfs/dbraw/zinc/64/72/56/831647256.db2.gz MJGIPPSYPUDUIG-ARFHVFGLSA-N 1 3 328.416 -0.585 20 0 EBADHO O=C([C@H]1CNCCN1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903250 831694537 /nfs/dbraw/zinc/69/45/37/831694537.db2.gz MWUBIFAMDJWUAM-MRRJBJDNSA-N 1 3 349.410 -0.364 20 0 EBADHO O=C([C@@H]1CNCCN1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903254 831695046 /nfs/dbraw/zinc/69/50/46/831695046.db2.gz MWUBIFAMDJWUAM-RVSPLBMKSA-N 1 3 349.410 -0.364 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103225 831708734 /nfs/dbraw/zinc/70/87/34/831708734.db2.gz MSOGPJMFKOZWMG-CYBMUJFWSA-N 1 3 331.424 -0.421 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001159155639 831712757 /nfs/dbraw/zinc/71/27/57/831712757.db2.gz RWRFMZLGMWZNKO-AWEZNQCLSA-N 1 3 346.447 -0.379 20 0 EBADHO O=C([C@H]1C[NH2+]CCN1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665999 831770184 /nfs/dbraw/zinc/77/01/84/831770184.db2.gz NPOKSLZBMVIOIY-GVDBMIGSSA-N 1 3 345.447 -0.555 20 0 EBADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001159862785 831788687 /nfs/dbraw/zinc/78/86/87/831788687.db2.gz CHZCJXTWONFGJC-NEPJUHHUSA-N 1 3 328.482 -0.278 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853769 831788702 /nfs/dbraw/zinc/78/87/02/831788702.db2.gz KIUQMHFEXGYVRW-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001159863463 831790295 /nfs/dbraw/zinc/79/02/95/831790295.db2.gz UOFGLZAQJZSTFY-HBUWYVDXSA-N 1 3 334.464 -0.098 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159917546 831796902 /nfs/dbraw/zinc/79/69/02/831796902.db2.gz ZFVNTRXKHWLDCT-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997308 831802648 /nfs/dbraw/zinc/80/26/48/831802648.db2.gz LICDDCHVQVFRFZ-OAHLLOKOSA-N 1 3 331.457 -0.410 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160111308 831815246 /nfs/dbraw/zinc/81/52/46/831815246.db2.gz VTGUFXFERFWQIG-UBHSHLNASA-N 1 3 346.456 -0.022 20 0 EBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CCO2 ZINC001160178228 831821941 /nfs/dbraw/zinc/82/19/41/831821941.db2.gz GNVBMEHXUUXORF-YOEHRIQHSA-N 1 3 336.436 -0.965 20 0 EBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CCO2 ZINC001160178223 831822076 /nfs/dbraw/zinc/82/20/76/831822076.db2.gz GNVBMEHXUUXORF-PBHICJAKSA-N 1 3 336.436 -0.965 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414830 831845751 /nfs/dbraw/zinc/84/57/51/831845751.db2.gz DJVGUUCTRXTALG-RHSMWYFYSA-N 1 3 346.435 -0.112 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCn2c(Br)cnc2C1 ZINC001160542216 831861843 /nfs/dbraw/zinc/86/18/43/831861843.db2.gz QCSHNVVXZGIOFV-SECBINFHSA-N 1 3 340.225 -0.203 20 0 EBADHO COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160595780 831869093 /nfs/dbraw/zinc/86/90/93/831869093.db2.gz ILPAXYVRGIWTQI-OLZOCXBDSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160595780 831869098 /nfs/dbraw/zinc/86/90/98/831869098.db2.gz ILPAXYVRGIWTQI-OLZOCXBDSA-N 1 3 325.409 -0.349 20 0 EBADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160747834 831882426 /nfs/dbraw/zinc/88/24/26/831882426.db2.gz WOQNELJXSNLFBI-JKIFEVAISA-N 1 3 338.452 -0.671 20 0 EBADHO O=C([C@@H]1COC2(CNC2)CN1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780724 831885581 /nfs/dbraw/zinc/88/55/81/831885581.db2.gz UQSIJSWJUSFKIL-GJYPPUQNSA-N 1 3 342.443 -0.684 20 0 EBADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161026618 831915125 /nfs/dbraw/zinc/91/51/25/831915125.db2.gz SCGUQPCUONNGEG-HUUCEWRRSA-N 1 3 329.400 -0.078 20 0 EBADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161137729 831930697 /nfs/dbraw/zinc/93/06/97/831930697.db2.gz GLZSIAKKJAFGCO-CXAGYDPISA-N 1 3 338.452 -0.447 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001161226597 831938799 /nfs/dbraw/zinc/93/87/99/831938799.db2.gz KNTPTKDWICUENG-LLVKDONJSA-N 1 3 329.445 -0.343 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC001161390280 831952364 /nfs/dbraw/zinc/95/23/64/831952364.db2.gz XEOOITSKJRFZDH-GJZGRUSLSA-N 1 3 338.452 -0.351 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382285 831952617 /nfs/dbraw/zinc/95/26/17/831952617.db2.gz WMINTVJWUPVUQZ-CHWSQXEVSA-N 1 3 327.429 -0.915 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476788 831962406 /nfs/dbraw/zinc/96/24/06/831962406.db2.gz DPJLADLOEHAMHV-FIXISWKDSA-N 1 3 327.381 -0.980 20 0 EBADHO O=C(C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)N1CCC1 ZINC001162872040 832068547 /nfs/dbraw/zinc/06/85/47/832068547.db2.gz DYLBXJQMHNODBC-XOYHFGRZSA-N 1 3 336.436 -0.822 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163822193 832142257 /nfs/dbraw/zinc/14/22/57/832142257.db2.gz VGDAIKBCCASRBK-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001164539150 832196029 /nfs/dbraw/zinc/19/60/29/832196029.db2.gz TWZVSRULBCABNF-OLZOCXBDSA-N 1 3 339.444 -0.524 20 0 EBADHO CS(=O)(=O)c1nc2c(c(-n3ncc4c3CCNC4)n1)CC[NH2+]CC2 ZINC001165219314 832207742 /nfs/dbraw/zinc/20/77/42/832207742.db2.gz VPQVURDSRDSUFR-UHFFFAOYSA-N 1 3 348.432 -0.600 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166009903 832245639 /nfs/dbraw/zinc/24/56/39/832245639.db2.gz BVWQNZAVTMXZLV-LSDHHAIUSA-N 1 3 333.473 -0.308 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004335 832246003 /nfs/dbraw/zinc/24/60/03/832246003.db2.gz LWCHOZLWUYYQDZ-CQSZACIVSA-N 1 3 343.472 -0.096 20 0 EBADHO CN1CCN(CCCCNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC001351539732 832248995 /nfs/dbraw/zinc/24/89/95/832248995.db2.gz QOMQMLVGPLJOFZ-UHFFFAOYSA-N 1 3 327.473 -0.179 20 0 EBADHO NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001166249869 832253598 /nfs/dbraw/zinc/25/35/98/832253598.db2.gz KOSHBPDWETYFGI-JZLYGMAVSA-N 1 3 336.436 -0.789 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166634175 832275906 /nfs/dbraw/zinc/27/59/06/832275906.db2.gz PZJQGPJTBZZRMF-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677752 832278763 /nfs/dbraw/zinc/27/87/63/832278763.db2.gz MJXQIMGDNWFKIR-ZDUSSCGKSA-N 1 3 334.486 -0.637 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001166678577 832279980 /nfs/dbraw/zinc/27/99/80/832279980.db2.gz WNBQHAYVEGXKFT-UONOGXRCSA-N 1 3 331.482 -0.141 20 0 EBADHO CN(CCc1ccccc1)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001166750261 832286657 /nfs/dbraw/zinc/28/66/57/832286657.db2.gz APBLPSPRGFBABM-UHFFFAOYSA-N 1 3 345.451 -0.020 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C ZINC001166858438 832295042 /nfs/dbraw/zinc/29/50/42/832295042.db2.gz UWQKXOZPYHMQOS-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO CS(=O)(=O)N(c1ccc(OC2CC[NH2+]CC2)nn1)C1CNC1 ZINC001166970516 832305089 /nfs/dbraw/zinc/30/50/89/832305089.db2.gz PALJBYHDDVZUKJ-UHFFFAOYSA-N 1 3 327.410 -0.655 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001353490350 832431246 /nfs/dbraw/zinc/43/12/46/832431246.db2.gz JWZYODQQNFMVGU-UHFFFAOYSA-N 1 3 327.473 -0.356 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001168755774 832434589 /nfs/dbraw/zinc/43/45/89/832434589.db2.gz RZFJEIZNKSYIBN-AWEZNQCLSA-N 1 3 328.457 -0.593 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001171216328 832551460 /nfs/dbraw/zinc/55/14/60/832551460.db2.gz GHFWGHVQNYKSPV-UHFFFAOYSA-N 1 3 327.385 -0.713 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCC[C@@H]1C ZINC001175257122 832620116 /nfs/dbraw/zinc/62/01/16/832620116.db2.gz VANSHZWSAXEZIX-OLZOCXBDSA-N 1 3 341.456 -0.070 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NCCCCN1CCN(C)CC1)C(C)C ZINC001356437554 832628998 /nfs/dbraw/zinc/62/89/98/832628998.db2.gz LZYGUHHKBYKFTC-UHFFFAOYSA-N 1 3 341.500 -0.413 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176992499 832727917 /nfs/dbraw/zinc/72/79/17/832727917.db2.gz ROFNIFZLIKCOLG-ZDUSSCGKSA-N 1 3 339.440 -0.492 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178926547 832931556 /nfs/dbraw/zinc/93/15/56/832931556.db2.gz YYCSGHULARHYJM-AVGNSLFASA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178926547 832931559 /nfs/dbraw/zinc/93/15/59/832931559.db2.gz YYCSGHULARHYJM-AVGNSLFASA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(=O)NC(N)=O ZINC001179434913 832978597 /nfs/dbraw/zinc/97/85/97/832978597.db2.gz DCAGYSQIAYXXKE-WOPDTQHZSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179471885 832982160 /nfs/dbraw/zinc/98/21/60/832982160.db2.gz FHJKGNMECRWJCP-JQWIXIFHSA-N 1 3 325.413 -0.898 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187107213 833901374 /nfs/dbraw/zinc/90/13/74/833901374.db2.gz XOFKWWIQUQXEBH-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187107213 833901381 /nfs/dbraw/zinc/90/13/81/833901381.db2.gz XOFKWWIQUQXEBH-QWHCGFSZSA-N 1 3 339.440 -0.636 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121817 833904288 /nfs/dbraw/zinc/90/42/88/833904288.db2.gz MFUJTWAZYDVYMJ-CQSZACIVSA-N 1 3 338.452 -0.575 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187221383 833912386 /nfs/dbraw/zinc/91/23/86/833912386.db2.gz XZXSMIMVHPGTOP-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCCNS(=O)(=O)CC)C1 ZINC001187307315 833918435 /nfs/dbraw/zinc/91/84/35/833918435.db2.gz ZSPAPMHCMWINPB-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCNS(=O)(=O)CC)C1 ZINC001187307315 833918440 /nfs/dbraw/zinc/91/84/40/833918440.db2.gz ZSPAPMHCMWINPB-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001187322203 833920061 /nfs/dbraw/zinc/92/00/61/833920061.db2.gz NQEXWCOZMGZULT-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)C1 ZINC001187817472 833970192 /nfs/dbraw/zinc/97/01/92/833970192.db2.gz FXAJFGWNSGIFSA-GHMZBOCLSA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)C1 ZINC001187817472 833970199 /nfs/dbraw/zinc/97/01/99/833970199.db2.gz FXAJFGWNSGIFSA-GHMZBOCLSA-N 1 3 336.358 -0.193 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145979 834013659 /nfs/dbraw/zinc/01/36/59/834013659.db2.gz UJQLNDJSJIRPRJ-GFCCVEGCSA-N 1 3 327.429 -0.637 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145947 834014248 /nfs/dbraw/zinc/01/42/48/834014248.db2.gz SEVZIQITYDOLMU-CQSZACIVSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001188158324 834017775 /nfs/dbraw/zinc/01/77/75/834017775.db2.gz KYIRWDAYOLPXDC-ZIAGYGMSSA-N 1 3 331.482 -0.048 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001188962789 834110748 /nfs/dbraw/zinc/11/07/48/834110748.db2.gz FWNIMAFRPIXDMH-MELADBBJSA-N 1 3 348.447 -0.334 20 0 EBADHO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430771 835103541 /nfs/dbraw/zinc/10/35/41/835103541.db2.gz MFVYACHBVPKWST-RBSFLKMASA-N 1 3 334.376 -0.884 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001197586980 835582431 /nfs/dbraw/zinc/58/24/31/835582431.db2.gz XXGOUXHUMGFLAZ-CQSZACIVSA-N 1 3 341.433 -0.386 20 0 EBADHO CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197825717 835612854 /nfs/dbraw/zinc/61/28/54/835612854.db2.gz HIQQOUKXXRPJKT-BZUAXINKSA-N 1 3 343.468 -0.459 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787882 835861228 /nfs/dbraw/zinc/86/12/28/835861228.db2.gz GURMGHWGBHHGGN-DGCLKSJQSA-N 1 3 339.440 -0.495 20 0 EBADHO CN(CC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)S(C)(=O)=O ZINC001199788747 835861921 /nfs/dbraw/zinc/86/19/21/835861921.db2.gz YTXPHRRDKYQONK-CQSZACIVSA-N 1 3 346.497 -0.447 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199826189 835867190 /nfs/dbraw/zinc/86/71/90/835867190.db2.gz IDIRATIAJSRSFN-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200536176 835982674 /nfs/dbraw/zinc/98/26/74/835982674.db2.gz AVGVFFFPQFFJSH-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001200536176 835982686 /nfs/dbraw/zinc/98/26/86/835982686.db2.gz AVGVFFFPQFFJSH-RBSFLKMASA-N 1 3 340.468 -0.378 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC)C2)CC[N@@H+]1C ZINC001200553876 835985331 /nfs/dbraw/zinc/98/53/31/835985331.db2.gz BHKYMGLWCACDKI-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC)C2)CC[N@H+]1C ZINC001200553876 835985338 /nfs/dbraw/zinc/98/53/38/835985338.db2.gz BHKYMGLWCACDKI-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001200554987 835985819 /nfs/dbraw/zinc/98/58/19/835985819.db2.gz OEORPMRENWEKEZ-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001200554987 835985823 /nfs/dbraw/zinc/98/58/23/835985823.db2.gz OEORPMRENWEKEZ-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)C1CC1 ZINC001200688630 836017196 /nfs/dbraw/zinc/01/71/96/836017196.db2.gz SNXNNKFILXILCX-HOTGVXAUSA-N 1 3 343.468 -0.457 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704726 836020095 /nfs/dbraw/zinc/02/00/95/836020095.db2.gz PJNNVPIQDFTJKS-JKSUJKDBSA-N 1 3 343.468 -0.315 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200722382 836023640 /nfs/dbraw/zinc/02/36/40/836023640.db2.gz WIUMHDUWQIUPSO-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200722382 836023656 /nfs/dbraw/zinc/02/36/56/836023656.db2.gz WIUMHDUWQIUPSO-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720938 836024058 /nfs/dbraw/zinc/02/40/58/836024058.db2.gz FCNWNQCRVHBJSZ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200720938 836024071 /nfs/dbraw/zinc/02/40/71/836024071.db2.gz FCNWNQCRVHBJSZ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCCO1 ZINC001200736956 836028561 /nfs/dbraw/zinc/02/85/61/836028561.db2.gz HUDUTJNEJOYDBE-XHSDSOJGSA-N 1 3 345.484 -0.213 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001200795442 836034921 /nfs/dbraw/zinc/03/49/21/836034921.db2.gz KBLLNNBGAAPXBV-SOUVJXGZSA-N 1 3 331.457 -0.459 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001201226156 836112579 /nfs/dbraw/zinc/11/25/79/836112579.db2.gz VJAPHMYWQWQAHM-HUUCEWRRSA-N 1 3 340.468 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001201226156 836112585 /nfs/dbraw/zinc/11/25/85/836112585.db2.gz VJAPHMYWQWQAHM-HUUCEWRRSA-N 1 3 340.468 -0.199 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1)N(C)C ZINC001201238982 836115764 /nfs/dbraw/zinc/11/57/64/836115764.db2.gz FTPPTKBXTXSTHM-DGCLKSJQSA-N 1 3 341.456 -0.249 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCCO[C@@H](CN[C@H]3CCNC3=O)C2)CC1 ZINC001201263276 836120343 /nfs/dbraw/zinc/12/03/43/836120343.db2.gz YICMCBCHSAFYOF-KBPBESRZSA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201310202 836127427 /nfs/dbraw/zinc/12/74/27/836127427.db2.gz YDLOVXWWKYJVGH-TZMCWYRMSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)CNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335432 836131034 /nfs/dbraw/zinc/13/10/34/836131034.db2.gz ONHPIBVLBOZGTF-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO CN1CC[C@H](NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201334992 836131238 /nfs/dbraw/zinc/13/12/38/836131238.db2.gz MDCAWQCTCSSTQE-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+](CC)CC ZINC001201389839 836138046 /nfs/dbraw/zinc/13/80/46/836138046.db2.gz NCVUNVVZPYNXOS-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001201401981 836139866 /nfs/dbraw/zinc/13/98/66/836139866.db2.gz AGADTDPQTPRRNL-HZPDHXFCSA-N 1 3 343.468 -0.456 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403083 836141309 /nfs/dbraw/zinc/14/13/09/836141309.db2.gz HMXFUKYUIMFMMF-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201429955 836144948 /nfs/dbraw/zinc/14/49/48/836144948.db2.gz JLWZJGIIRMFOLZ-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481871 836151145 /nfs/dbraw/zinc/15/11/45/836151145.db2.gz HEIKFGRDGUKUFF-KGLIPLIRSA-N 1 3 326.397 -0.833 20 0 EBADHO COCCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201484635 836151619 /nfs/dbraw/zinc/15/16/19/836151619.db2.gz WZFWKPJKDZGKFN-HNNXBMFYSA-N 1 3 340.424 -0.178 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201494313 836151861 /nfs/dbraw/zinc/15/18/61/836151861.db2.gz QUZLEJGLECDNFG-CQSZACIVSA-N 1 3 333.396 -0.549 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC1 ZINC001201774533 836191015 /nfs/dbraw/zinc/19/10/15/836191015.db2.gz LSZVZMSTRZNIBU-OAHLLOKOSA-N 1 3 340.468 -0.201 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060541 836246824 /nfs/dbraw/zinc/24/68/24/836246824.db2.gz ZLZDMTAKERIKPO-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060541 836246835 /nfs/dbraw/zinc/24/68/35/836246835.db2.gz ZLZDMTAKERIKPO-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060544 836247827 /nfs/dbraw/zinc/24/78/27/836247827.db2.gz ZLZDMTAKERIKPO-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060544 836247833 /nfs/dbraw/zinc/24/78/33/836247833.db2.gz ZLZDMTAKERIKPO-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001202147719 836260934 /nfs/dbraw/zinc/26/09/34/836260934.db2.gz JWAFPTQGEDPCLL-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO NC(=O)CNC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC001202208159 836274234 /nfs/dbraw/zinc/27/42/34/836274234.db2.gz JRCUOGHTQPPIHI-OAHLLOKOSA-N 1 3 340.468 -0.055 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202496529 836309025 /nfs/dbraw/zinc/30/90/25/836309025.db2.gz UUEXZWQYBSSMOS-LLVKDONJSA-N 1 3 325.413 -0.754 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001203460692 836433471 /nfs/dbraw/zinc/43/34/71/836433471.db2.gz VRROJHDFQXYIIT-UHFFFAOYSA-N 1 3 325.457 -0.066 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203652210 836458199 /nfs/dbraw/zinc/45/81/99/836458199.db2.gz SGAMXCYQRTVSED-VXGBXAGGSA-N 1 3 339.440 -0.460 20 0 EBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001205345735 836559910 /nfs/dbraw/zinc/55/99/10/836559910.db2.gz XMLPJUXDVKTPMA-CABCVRRESA-N 1 3 338.452 -0.576 20 0 EBADHO NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001205719158 836590191 /nfs/dbraw/zinc/59/01/91/836590191.db2.gz BTBKTDAPOXRKSK-UUCFBXCCSA-N 1 3 336.436 -0.837 20 0 EBADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001206301812 836637968 /nfs/dbraw/zinc/63/79/68/836637968.db2.gz RNKZIYMNOCTEBG-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001208414639 837027287 /nfs/dbraw/zinc/02/72/87/837027287.db2.gz UOTLUPYOUBKEOE-ZIAGYGMSSA-N 1 3 348.513 -0.154 20 0 EBADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494038 837065436 /nfs/dbraw/zinc/06/54/36/837065436.db2.gz CBHARPGOAAAYNM-QLFBSQMISA-N 1 3 331.457 -0.602 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC001209277730 837150119 /nfs/dbraw/zinc/15/01/19/837150119.db2.gz KHPLVLUQBWZXPY-ZDUSSCGKSA-N 1 3 331.482 -0.047 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001209447370 837167555 /nfs/dbraw/zinc/16/75/55/837167555.db2.gz ZIQJURMYFQWSLQ-ZDUSSCGKSA-N 1 3 339.440 -0.493 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001209446481 837168325 /nfs/dbraw/zinc/16/83/25/837168325.db2.gz RQHCJVZNBFSPDN-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631568 837183261 /nfs/dbraw/zinc/18/32/61/837183261.db2.gz DYJRWSCDFGMSQG-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001209691499 837190342 /nfs/dbraw/zinc/19/03/42/837190342.db2.gz WKSFDUDXKXNDFS-LBPRGKRZSA-N 1 3 341.456 -0.260 20 0 EBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209715782 837193815 /nfs/dbraw/zinc/19/38/15/837193815.db2.gz LFUBQGYETZDFGZ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835893 837202873 /nfs/dbraw/zinc/20/28/73/837202873.db2.gz DUJJGCJIIPLRRO-IJEWVQPXSA-N 1 3 343.468 -0.459 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001210040438 837228428 /nfs/dbraw/zinc/22/84/28/837228428.db2.gz HHAAIMAMCSTXIB-GDBMZVCRSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001210040438 837228436 /nfs/dbraw/zinc/22/84/36/837228436.db2.gz HHAAIMAMCSTXIB-GDBMZVCRSA-N 1 3 342.484 -0.083 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210221314 837255984 /nfs/dbraw/zinc/25/59/84/837255984.db2.gz ZOFZSCGALBTXSI-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210219833 837256656 /nfs/dbraw/zinc/25/66/56/837256656.db2.gz UNEJBSBRBAXWTD-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCNC(=O)CN[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338749 837273399 /nfs/dbraw/zinc/27/33/99/837273399.db2.gz IMIXZWQNWWGKJD-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210493169 837290982 /nfs/dbraw/zinc/29/09/82/837290982.db2.gz IBEQFIZHRLWUOV-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210493169 837290989 /nfs/dbraw/zinc/29/09/89/837290989.db2.gz IBEQFIZHRLWUOV-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001210494016 837291089 /nfs/dbraw/zinc/29/10/89/837291089.db2.gz RAFONSUBACYBNG-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001210494016 837291100 /nfs/dbraw/zinc/29/11/00/837291100.db2.gz RAFONSUBACYBNG-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674578 837315104 /nfs/dbraw/zinc/31/51/04/837315104.db2.gz ZNWANJAHHCBXTH-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674578 837315110 /nfs/dbraw/zinc/31/51/10/837315110.db2.gz ZNWANJAHHCBXTH-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674577 837315141 /nfs/dbraw/zinc/31/51/41/837315141.db2.gz ZNWANJAHHCBXTH-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674577 837315145 /nfs/dbraw/zinc/31/51/45/837315145.db2.gz ZNWANJAHHCBXTH-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001210674153 837317211 /nfs/dbraw/zinc/31/72/11/837317211.db2.gz OCXSGOACYITEFF-NEPJUHHUSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001210674153 837317222 /nfs/dbraw/zinc/31/72/22/837317222.db2.gz OCXSGOACYITEFF-NEPJUHHUSA-N 1 3 325.413 -0.896 20 0 EBADHO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)CN1CCCC1 ZINC001319572240 838151217 /nfs/dbraw/zinc/15/12/17/838151217.db2.gz BYZCHIRCFKPHAM-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320840490 838847209 /nfs/dbraw/zinc/84/72/09/838847209.db2.gz KZRWBYSNPAVBQV-CYBMUJFWSA-N 1 3 341.456 -0.388 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320840490 838847225 /nfs/dbraw/zinc/84/72/25/838847225.db2.gz KZRWBYSNPAVBQV-CYBMUJFWSA-N 1 3 341.456 -0.388 20 0 EBADHO CS(=O)(=O)NCCNC/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065936 838896340 /nfs/dbraw/zinc/89/63/40/838896340.db2.gz WZIKIAFRXRUHAF-PYLYLYNFSA-N 1 3 344.481 -0.861 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394087 838981530 /nfs/dbraw/zinc/98/15/30/838981530.db2.gz VJWCBASNYSHTJE-JQSFKPKSSA-N 1 3 339.440 -0.566 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001321394087 838981540 /nfs/dbraw/zinc/98/15/40/838981540.db2.gz VJWCBASNYSHTJE-JQSFKPKSSA-N 1 3 339.440 -0.566 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418027 838987823 /nfs/dbraw/zinc/98/78/23/838987823.db2.gz XHZIYWDYHBGQFZ-OOPCZODUSA-N 1 3 339.440 -0.292 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001321756246 839069793 /nfs/dbraw/zinc/06/97/93/839069793.db2.gz KZFXQJTVEDGQFP-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001324261926 839618528 /nfs/dbraw/zinc/61/85/28/839618528.db2.gz VKTLWKWDWIUNCE-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001324261926 839618532 /nfs/dbraw/zinc/61/85/32/839618532.db2.gz VKTLWKWDWIUNCE-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001325560891 839890034 /nfs/dbraw/zinc/89/00/34/839890034.db2.gz DZLLIWSUEDIJBK-OLZOCXBDSA-N 1 3 334.424 -0.339 20 0 EBADHO Cc1ncc(CNCCN(CCO)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001326135034 840044600 /nfs/dbraw/zinc/04/46/00/840044600.db2.gz NHMFHGBGHGIJHN-UHFFFAOYSA-N 1 3 333.436 -0.209 20 0 EBADHO CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001327033053 840278554 /nfs/dbraw/zinc/27/85/54/840278554.db2.gz AOLDUFMCWZMZIX-HUUCEWRRSA-N 1 3 338.456 -0.319 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001327078555 840293014 /nfs/dbraw/zinc/29/30/14/840293014.db2.gz FHJQPJNPOUIGNA-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC001327569993 840459328 /nfs/dbraw/zinc/45/93/28/840459328.db2.gz LXPVNFYRFMWZPQ-UHFFFAOYSA-N 1 3 339.444 -0.891 20 0 EBADHO CC(C)[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCN(C)CC1 ZINC001327976872 840562879 /nfs/dbraw/zinc/56/28/79/840562879.db2.gz AZWIICIPYGXRPN-MSOLQXFVSA-N 1 3 341.544 -0.544 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330532815 841230733 /nfs/dbraw/zinc/23/07/33/841230733.db2.gz SLTIWTVXLGVESH-SCRDCRAPSA-N 1 3 326.441 -0.402 20 0 EBADHO C[C@H](CCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001330834412 841279694 /nfs/dbraw/zinc/27/96/94/841279694.db2.gz CEKFCQBEVBCYCV-NEPJUHHUSA-N 1 3 341.456 -0.071 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccnc(F)c1 ZINC001331091723 841331852 /nfs/dbraw/zinc/33/18/52/841331852.db2.gz AMVFPGXWUYVXSI-UHFFFAOYSA-N 1 3 339.415 -0.211 20 0 EBADHO CCN(C(=O)C(=O)NC1CCN(CCOC)CC1)[C@@H]1CC[NH2+]C1 ZINC001333909913 841964127 /nfs/dbraw/zinc/96/41/27/841964127.db2.gz OIHUSTSGXFZJRE-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC001338352761 842785976 /nfs/dbraw/zinc/78/59/76/842785976.db2.gz CXDQWPBNTQTELZ-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001342765313 843179533 /nfs/dbraw/zinc/17/95/33/843179533.db2.gz DCRMWHMZOCXKRU-ZIAGYGMSSA-N 1 3 328.457 -0.521 20 0 EBADHO C[C@H]1SCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001345919803 843462215 /nfs/dbraw/zinc/46/22/15/843462215.db2.gz OPVXSJWSZBLMTP-OLZOCXBDSA-N 1 3 330.498 -0.052 20 0 EBADHO C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@H]1CN(C)CCN1C ZINC001346766433 843550135 /nfs/dbraw/zinc/55/01/35/843550135.db2.gz INFQVVPAFRLGKL-JKSUJKDBSA-N 1 3 342.532 -0.197 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481275038 1125961731 /nfs/dbraw/zinc/96/17/31/1125961731.db2.gz AWPOZYOIPVMDGI-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001481280023 1125963149 /nfs/dbraw/zinc/96/31/49/1125963149.db2.gz NEVRWKORBXZZTP-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001481280023 1125963150 /nfs/dbraw/zinc/96/31/50/1125963150.db2.gz NEVRWKORBXZZTP-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCOCC1 ZINC001481812321 1126058725 /nfs/dbraw/zinc/05/87/25/1126058725.db2.gz KSCBKTUTWGJFBI-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCOCC1 ZINC001481812321 1126058726 /nfs/dbraw/zinc/05/87/26/1126058726.db2.gz KSCBKTUTWGJFBI-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873529 1126063680 /nfs/dbraw/zinc/06/36/80/1126063680.db2.gz AQOQHMGLZGEXRP-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001481873529 1126063681 /nfs/dbraw/zinc/06/36/81/1126063681.db2.gz AQOQHMGLZGEXRP-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730086 1126269111 /nfs/dbraw/zinc/26/91/11/1126269111.db2.gz SLFQFGKZFBFZKJ-JKSUJKDBSA-N 1 3 333.436 -0.306 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481383 1126370671 /nfs/dbraw/zinc/37/06/71/1126370671.db2.gz WYHJNAQMFRRPDO-KGLIPLIRSA-N 1 3 328.457 -0.332 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001483296500 1126415049 /nfs/dbraw/zinc/41/50/49/1126415049.db2.gz IUJCRTFKSFAIOW-RYUDHWBXSA-N 1 3 329.445 -0.345 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001483933607 1126490736 /nfs/dbraw/zinc/49/07/36/1126490736.db2.gz DFWBZGUWTQZXDP-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339639 1126564016 /nfs/dbraw/zinc/56/40/16/1126564016.db2.gz YTWSYRLPVYYGTG-VXGBXAGGSA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001484377397 1126566402 /nfs/dbraw/zinc/56/64/02/1126566402.db2.gz FTOGBCWLBOZWEJ-QWRGUYRKSA-N 1 3 336.396 -0.908 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001484491487 1126594233 /nfs/dbraw/zinc/59/42/33/1126594233.db2.gz RLZCBJJLWLKFEQ-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001484491487 1126594234 /nfs/dbraw/zinc/59/42/34/1126594234.db2.gz RLZCBJJLWLKFEQ-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO C[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499751 1126599094 /nfs/dbraw/zinc/59/90/94/1126599094.db2.gz DGKYKKOXAIJMHQ-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499751 1126599096 /nfs/dbraw/zinc/59/90/96/1126599096.db2.gz DGKYKKOXAIJMHQ-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001484575433 1126604893 /nfs/dbraw/zinc/60/48/93/1126604893.db2.gz VIJCHUYQJIZKLY-JOCQHMNTSA-N 1 3 341.456 -0.214 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001484574904 1126604969 /nfs/dbraw/zinc/60/49/69/1126604969.db2.gz IGDSPXYFKHFFFC-JOCQHMNTSA-N 1 3 341.456 -0.212 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692907 1126620083 /nfs/dbraw/zinc/62/00/83/1126620083.db2.gz PWWCQZYBANAULA-LSDHHAIUSA-N 1 3 336.440 -0.563 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001484663350 1126614911 /nfs/dbraw/zinc/61/49/11/1126614911.db2.gz QKTNOCVUIIMSCP-UHFFFAOYSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700859 1126622737 /nfs/dbraw/zinc/62/27/37/1126622737.db2.gz UOUZOSOCZUVFGB-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001484697857 1126625007 /nfs/dbraw/zinc/62/50/07/1126625007.db2.gz YJSLSBMZHJMQOY-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCOCC1 ZINC001484868256 1126648716 /nfs/dbraw/zinc/64/87/16/1126648716.db2.gz GOLGDNZVHCAUIQ-UONOGXRCSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001484903991 1126651741 /nfs/dbraw/zinc/65/17/41/1126651741.db2.gz OTAAYXZPNOVCAB-QWHCGFSZSA-N 1 3 339.440 -0.650 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484964438 1126657223 /nfs/dbraw/zinc/65/72/23/1126657223.db2.gz MARYEIFYEVEDQO-ZDUSSCGKSA-N 1 3 326.441 -0.983 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484964438 1126657224 /nfs/dbraw/zinc/65/72/24/1126657224.db2.gz MARYEIFYEVEDQO-ZDUSSCGKSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(CNCC(=O)N3CCC3)CC2)C1 ZINC001484964915 1126657247 /nfs/dbraw/zinc/65/72/47/1126657247.db2.gz WSZFVDQNQLEHKS-CQSZACIVSA-N 1 3 338.452 -0.887 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNCC(=O)N3CCC3)CC2)C1 ZINC001484964915 1126657249 /nfs/dbraw/zinc/65/72/49/1126657249.db2.gz WSZFVDQNQLEHKS-CQSZACIVSA-N 1 3 338.452 -0.887 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC(O)(CNCC(=O)N(C)C)CC1 ZINC001484962811 1126656795 /nfs/dbraw/zinc/65/67/95/1126656795.db2.gz HXGQHNVWFHVEFO-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNCC(=O)N(C)C)CC1 ZINC001484962811 1126656797 /nfs/dbraw/zinc/65/67/97/1126656797.db2.gz HXGQHNVWFHVEFO-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO C[C@@H](NCC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001484959217 1126659188 /nfs/dbraw/zinc/65/91/88/1126659188.db2.gz LGSZTKYBJSXPFF-GFCCVEGCSA-N 1 3 326.441 -0.855 20 0 EBADHO Cn1cc(CC[NH2+]CC2(O)CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC001484959563 1126659365 /nfs/dbraw/zinc/65/93/65/1126659365.db2.gz HHSBBERJZGTBHF-UHFFFAOYSA-N 1 3 346.435 -0.129 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001484960362 1126659386 /nfs/dbraw/zinc/65/93/86/1126659386.db2.gz BYVKZOHPWRSRID-ZIAGYGMSSA-N 1 3 342.484 -0.350 20 0 EBADHO CNC(=O)[C@H](C)NCC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484959788 1126659459 /nfs/dbraw/zinc/65/94/59/1126659459.db2.gz URWBBZQIPQFXBW-ZDUSSCGKSA-N 1 3 328.457 -0.594 20 0 EBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCN2CCNC2=O)C1 ZINC001485110844 1126675827 /nfs/dbraw/zinc/67/58/27/1126675827.db2.gz YIUHJCGDNMRGQJ-UHFFFAOYSA-N 1 3 325.457 -0.164 20 0 EBADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCN2C(=O)CNC2=O)CCC1 ZINC001493574426 1126719027 /nfs/dbraw/zinc/71/90/27/1126719027.db2.gz ILHSDSFPTOQRFM-UHFFFAOYSA-N 1 3 339.440 -0.539 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648469 1126776699 /nfs/dbraw/zinc/77/66/99/1126776699.db2.gz AJDVNBBEIGRRPS-GJZGRUSLSA-N 1 3 338.456 -0.176 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647260 1126789133 /nfs/dbraw/zinc/78/91/33/1126789133.db2.gz AEMGMUAFYYIVNX-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833579 1126888557 /nfs/dbraw/zinc/88/85/57/1126888557.db2.gz JORAAYOJEGKURA-ZIAGYGMSSA-N 1 3 331.482 -0.191 20 0 EBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833579 1126888565 /nfs/dbraw/zinc/88/85/65/1126888565.db2.gz JORAAYOJEGKURA-ZIAGYGMSSA-N 1 3 331.482 -0.191 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001485913964 1126914518 /nfs/dbraw/zinc/91/45/18/1126914518.db2.gz IKADTJGBPQIFRX-NSHDSACASA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131090 1127043291 /nfs/dbraw/zinc/04/32/91/1127043291.db2.gz POXNNUJEYNXQKC-QWHCGFSZSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CNCCS(C)(=O)=O)CC[N@@H+]1C ZINC001486294340 1127103268 /nfs/dbraw/zinc/10/32/68/1127103268.db2.gz GUBKAQKJDXVZMC-IHRRRGAJSA-N 1 3 349.497 -0.830 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CNCCS(C)(=O)=O)CC[N@H+]1C ZINC001486294340 1127103270 /nfs/dbraw/zinc/10/32/70/1127103270.db2.gz GUBKAQKJDXVZMC-IHRRRGAJSA-N 1 3 349.497 -0.830 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001486298787 1127105502 /nfs/dbraw/zinc/10/55/02/1127105502.db2.gz XFXWQTJBBJBUOO-CQSZACIVSA-N 1 3 326.441 -0.984 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001486304077 1127108851 /nfs/dbraw/zinc/10/88/51/1127108851.db2.gz YHEUJXDDTUXYPM-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001486304077 1127108854 /nfs/dbraw/zinc/10/88/54/1127108854.db2.gz YHEUJXDDTUXYPM-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304077 1127108856 /nfs/dbraw/zinc/10/88/56/1127108856.db2.gz YHEUJXDDTUXYPM-CABCVRRESA-N 1 3 342.484 -0.254 20 0 EBADHO CN(C)C1(C(=O)N(C)CCOCC[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001486494464 1127188305 /nfs/dbraw/zinc/18/83/05/1127188305.db2.gz LATNVBUEZPUTIH-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486494673 1127188369 /nfs/dbraw/zinc/18/83/69/1127188369.db2.gz TZPXZOYJRAAHIG-UHFFFAOYSA-N 1 3 326.441 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410392147 1127698805 /nfs/dbraw/zinc/69/88/05/1127698805.db2.gz YZHOZUREPHXDDD-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410392147 1127698806 /nfs/dbraw/zinc/69/88/06/1127698806.db2.gz YZHOZUREPHXDDD-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001410514668 1127732140 /nfs/dbraw/zinc/73/21/40/1127732140.db2.gz VKKPZDWKJMTXJB-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO Cc1nc(C)n(CCN[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410758987 1127870701 /nfs/dbraw/zinc/87/07/01/1127870701.db2.gz XFRRFXACAXSGTM-GJZGRUSLSA-N 1 3 338.456 -0.697 20 0 EBADHO Cc1nc(C)n(CCN[C@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001410758987 1127870707 /nfs/dbraw/zinc/87/07/07/1127870707.db2.gz XFRRFXACAXSGTM-GJZGRUSLSA-N 1 3 338.456 -0.697 20 0 EBADHO CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001411082641 1128007330 /nfs/dbraw/zinc/00/73/30/1128007330.db2.gz PJSAVZAFAFHFEB-UONOGXRCSA-N 1 3 338.452 -0.840 20 0 EBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001411102846 1128017003 /nfs/dbraw/zinc/01/70/03/1128017003.db2.gz KMVTWAOSFJAXMK-AWEZNQCLSA-N 1 3 338.456 -0.246 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835575 1128355895 /nfs/dbraw/zinc/35/58/95/1128355895.db2.gz YRDXQMNPSKDBQW-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO CN(CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001488000236 1128536622 /nfs/dbraw/zinc/53/66/22/1128536622.db2.gz ODMZLFOVYPOTMY-QWHCGFSZSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001488000236 1128536623 /nfs/dbraw/zinc/53/66/23/1128536623.db2.gz ODMZLFOVYPOTMY-QWHCGFSZSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001488739135 1128834151 /nfs/dbraw/zinc/83/41/51/1128834151.db2.gz BDZNIEJMKZAOEC-PHIMTYICSA-N 1 3 325.413 -0.850 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001489579638 1129016120 /nfs/dbraw/zinc/01/61/20/1129016120.db2.gz PYFJUEPFUOGCOC-ILXRZTDVSA-N 1 3 340.468 -0.501 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001414053245 1131360054 /nfs/dbraw/zinc/36/00/54/1131360054.db2.gz FKKMXRBAIHQOPO-KGLIPLIRSA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491479273 1130462945 /nfs/dbraw/zinc/46/29/45/1130462945.db2.gz BFKWYQZIVDGASZ-ZDUSSCGKSA-N 1 3 340.468 -0.140 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548078 1130498580 /nfs/dbraw/zinc/49/85/80/1130498580.db2.gz NBIYUAYDWMEBRH-RYUDHWBXSA-N 1 3 341.456 -0.201 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001492074322 1130579550 /nfs/dbraw/zinc/57/95/50/1130579550.db2.gz BIEDXQYSQPUIKH-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001356609568 1130883389 /nfs/dbraw/zinc/88/33/89/1130883389.db2.gz QSEDBNILONIKOI-IHRRRGAJSA-N 1 3 325.457 -0.034 20 0 EBADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001365864364 1132841672 /nfs/dbraw/zinc/84/16/72/1132841672.db2.gz TUNCNFKJQILHJG-TZMCWYRMSA-N 1 3 326.441 -0.591 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001366101977 1133005222 /nfs/dbraw/zinc/00/52/22/1133005222.db2.gz JYHQTSNYHMDEBQ-ZDUSSCGKSA-N 1 3 334.486 -0.590 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001366163751 1133033964 /nfs/dbraw/zinc/03/39/64/1133033964.db2.gz SWKXWLJBARPFKB-FRRDWIJNSA-N 1 3 334.486 -0.545 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001366210286 1133057907 /nfs/dbraw/zinc/05/79/07/1133057907.db2.gz BVROLIWGZYCPGZ-JHJVBQTASA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001366210286 1133057912 /nfs/dbraw/zinc/05/79/12/1133057912.db2.gz BVROLIWGZYCPGZ-JHJVBQTASA-N 1 3 339.440 -0.508 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001366333464 1133102620 /nfs/dbraw/zinc/10/26/20/1133102620.db2.gz UAXRDAFKDAQHMF-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001366346484 1133106975 /nfs/dbraw/zinc/10/69/75/1133106975.db2.gz MUSJLXZACWGVHC-UONOGXRCSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001366367231 1133113599 /nfs/dbraw/zinc/11/35/99/1133113599.db2.gz WFRBMFHDNLKHNP-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367200159 1133499568 /nfs/dbraw/zinc/49/95/68/1133499568.db2.gz SOJPBUCJUQZTJX-AVGNSLFASA-N 1 3 341.456 -0.071 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001367224008 1133506734 /nfs/dbraw/zinc/50/67/34/1133506734.db2.gz KLKKRZDXADKHJT-CABCVRRESA-N 1 3 349.435 -0.484 20 0 EBADHO C[C@H]1CN(CCO)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001367550374 1133624496 /nfs/dbraw/zinc/62/44/96/1133624496.db2.gz DNQFAQBQSGQDBG-HNNXBMFYSA-N 1 3 341.500 -0.280 20 0 EBADHO COc1ccc(CNC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001367615483 1133696230 /nfs/dbraw/zinc/69/62/30/1133696230.db2.gz BZGBJDXAYSPLRD-AWEZNQCLSA-N 1 3 334.420 -0.247 20 0 EBADHO C[C@H](CNCC(=O)NC1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367693507 1133749942 /nfs/dbraw/zinc/74/99/42/1133749942.db2.gz ZSMZNPUWQQWFQG-CYBMUJFWSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001368105284 1133940571 /nfs/dbraw/zinc/94/05/71/1133940571.db2.gz UNQKVMUANBHZGE-QWHCGFSZSA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001368105284 1133940577 /nfs/dbraw/zinc/94/05/77/1133940577.db2.gz UNQKVMUANBHZGE-QWHCGFSZSA-N 1 3 339.440 -0.365 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001368109746 1133942005 /nfs/dbraw/zinc/94/20/05/1133942005.db2.gz SQNGIOASCPPERQ-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109592 1133942350 /nfs/dbraw/zinc/94/23/50/1133942350.db2.gz NSJOFZCLWRDEFC-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001368110406 1133943327 /nfs/dbraw/zinc/94/33/27/1133943327.db2.gz QMBWOYZYANCPFS-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001368381213 1134186192 /nfs/dbraw/zinc/18/61/92/1134186192.db2.gz QAZCPVVAJALBLP-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368475229 1134245751 /nfs/dbraw/zinc/24/57/51/1134245751.db2.gz TZDCZCSHEXEVTJ-LBPRGKRZSA-N 1 3 339.440 -0.316 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368475229 1134245758 /nfs/dbraw/zinc/24/57/58/1134245758.db2.gz TZDCZCSHEXEVTJ-LBPRGKRZSA-N 1 3 339.440 -0.316 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001368514591 1134266608 /nfs/dbraw/zinc/26/66/08/1134266608.db2.gz NUDAZQCXLQDRQB-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368609689 1134321529 /nfs/dbraw/zinc/32/15/29/1134321529.db2.gz APUODOXQPVOGKZ-ZBFHGGJFSA-N 1 3 343.468 -0.579 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001368680406 1134378606 /nfs/dbraw/zinc/37/86/06/1134378606.db2.gz FVGXKZLYKHYVGF-CQSZACIVSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(C)C(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368685018 1134384115 /nfs/dbraw/zinc/38/41/15/1134384115.db2.gz LUVOTAOIQBKILR-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(C)C(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001368685018 1134384121 /nfs/dbraw/zinc/38/41/21/1134384121.db2.gz LUVOTAOIQBKILR-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001368688480 1134388810 /nfs/dbraw/zinc/38/88/10/1134388810.db2.gz PHJDDGBMGPGTSY-CHWSQXEVSA-N 1 3 326.441 -0.712 20 0 EBADHO C[C@H](NCC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001368693117 1134394261 /nfs/dbraw/zinc/39/42/61/1134394261.db2.gz ZTUOFQAUHJWIPP-AWEZNQCLSA-N 1 3 340.468 -0.321 20 0 EBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001368723988 1134408149 /nfs/dbraw/zinc/40/81/49/1134408149.db2.gz SIWVUDCKCSJOSQ-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001368781035 1134438104 /nfs/dbraw/zinc/43/81/04/1134438104.db2.gz WZDKMGJUOKULMX-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO C[NH+](C)CCC(=O)NC1CC(CNCC(=O)Nc2nncs2)C1 ZINC001368822803 1134456062 /nfs/dbraw/zinc/45/60/62/1134456062.db2.gz PHJHNRKRNCTNAL-UHFFFAOYSA-N 1 3 340.453 -0.087 20 0 EBADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001369131288 1134580709 /nfs/dbraw/zinc/58/07/09/1134580709.db2.gz KACCDTQZMIWSKU-JONQDZQNSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001369131288 1134580712 /nfs/dbraw/zinc/58/07/12/1134580712.db2.gz KACCDTQZMIWSKU-JONQDZQNSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H](NCC(=O)N1CCC1)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146824 1134591894 /nfs/dbraw/zinc/59/18/94/1134591894.db2.gz GXQHOOGHLIPFEC-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001369169740 1134604819 /nfs/dbraw/zinc/60/48/19/1134604819.db2.gz PZMQEVRIVQFMIW-HAQNSBGRSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001369390586 1134751079 /nfs/dbraw/zinc/75/10/79/1134751079.db2.gz LPHYQVYNXNXUHS-UKRRQHHQSA-N 1 3 340.468 -0.236 20 0 EBADHO C[C@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409380 1134766634 /nfs/dbraw/zinc/76/66/34/1134766634.db2.gz WSBHTHZFKGSPOK-QWHCGFSZSA-N 1 3 329.466 -0.294 20 0 EBADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001369420694 1134772934 /nfs/dbraw/zinc/77/29/34/1134772934.db2.gz LCMWXHUCNPNOPH-NWDGAFQWSA-N 1 3 339.440 -0.460 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477696 1134840630 /nfs/dbraw/zinc/84/06/30/1134840630.db2.gz VWLUELZHMPGENV-LRDDRELGSA-N 1 3 346.447 -0.646 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001369477696 1134840635 /nfs/dbraw/zinc/84/06/35/1134840635.db2.gz VWLUELZHMPGENV-LRDDRELGSA-N 1 3 346.447 -0.646 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)CCC1 ZINC001369479320 1134841333 /nfs/dbraw/zinc/84/13/33/1134841333.db2.gz ZQELNGOVVWWPKZ-ZDUSSCGKSA-N 1 3 342.484 -0.206 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484927 1134854212 /nfs/dbraw/zinc/85/42/12/1134854212.db2.gz QPIHNBKDZBNKGE-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001369580789 1134947201 /nfs/dbraw/zinc/94/72/01/1134947201.db2.gz CPEDTWOROJKAHT-JXQTWKCFSA-N 1 3 348.513 -0.203 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001370402102 1135336568 /nfs/dbraw/zinc/33/65/68/1135336568.db2.gz BRUAUECDMZCTGH-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001371178445 1135857165 /nfs/dbraw/zinc/85/71/65/1135857165.db2.gz LLDXFOPXNQNVJD-YPMHNXCESA-N 1 3 339.440 -0.732 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001371473250 1135930762 /nfs/dbraw/zinc/93/07/62/1135930762.db2.gz XTBZSYSIXIESGN-CHWSQXEVSA-N 1 3 328.457 -0.644 20 0 EBADHO CNC(=O)N[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC001371602149 1135980846 /nfs/dbraw/zinc/98/08/46/1135980846.db2.gz USVHZKBWAPPGRA-KBPBESRZSA-N 1 3 342.488 -0.029 20 0 EBADHO CNC(=O)N[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC001371602149 1135980847 /nfs/dbraw/zinc/98/08/47/1135980847.db2.gz USVHZKBWAPPGRA-KBPBESRZSA-N 1 3 342.488 -0.029 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001372936684 1136330949 /nfs/dbraw/zinc/33/09/49/1136330949.db2.gz DXDFJPDYVCZKSA-YNEHKIRRSA-N 1 3 341.456 -0.391 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001372936684 1136330953 /nfs/dbraw/zinc/33/09/53/1136330953.db2.gz DXDFJPDYVCZKSA-YNEHKIRRSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001373756931 1136553758 /nfs/dbraw/zinc/55/37/58/1136553758.db2.gz AVLORKITPGGMRO-CYBMUJFWSA-N 1 3 325.457 -0.020 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001374231474 1136654005 /nfs/dbraw/zinc/65/40/05/1136654005.db2.gz FJBCNGBSZFBJTO-NWDGAFQWSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374385303 1136681171 /nfs/dbraw/zinc/68/11/71/1136681171.db2.gz OOELZXZZSKZURJ-RYUDHWBXSA-N 1 3 327.429 -0.652 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001374602996 1136739528 /nfs/dbraw/zinc/73/95/28/1136739528.db2.gz HDIAVHQDADNDEK-HZSPNIEDSA-N 1 3 326.441 -0.984 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001374602996 1136739530 /nfs/dbraw/zinc/73/95/30/1136739530.db2.gz HDIAVHQDADNDEK-HZSPNIEDSA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001374603623 1136740340 /nfs/dbraw/zinc/74/03/40/1136740340.db2.gz IUGVZWKOILCYCE-HZSPNIEDSA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001374603623 1136740343 /nfs/dbraw/zinc/74/03/43/1136740343.db2.gz IUGVZWKOILCYCE-HZSPNIEDSA-N 1 3 326.441 -0.984 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374667145 1136787601 /nfs/dbraw/zinc/78/76/01/1136787601.db2.gz BAUFOPGNCJJZQT-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374667145 1136787605 /nfs/dbraw/zinc/78/76/05/1136787605.db2.gz BAUFOPGNCJJZQT-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001374681718 1136798374 /nfs/dbraw/zinc/79/83/74/1136798374.db2.gz DVLYLJSXRNWVIO-HUUCEWRRSA-N 1 3 340.468 -0.453 20 0 EBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)N(C)C ZINC001374835349 1136846240 /nfs/dbraw/zinc/84/62/40/1136846240.db2.gz SEWILKAFNOTWRO-DGCLKSJQSA-N 1 3 339.440 -0.982 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001374854731 1136854678 /nfs/dbraw/zinc/85/46/78/1136854678.db2.gz TYMVPXNUNCDVRK-NEPJUHHUSA-N 1 3 327.429 -0.460 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C1(N(C)C)CCC1 ZINC001374894805 1136867273 /nfs/dbraw/zinc/86/72/73/1136867273.db2.gz OVDQHWZKSQQTHX-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001374932005 1136878428 /nfs/dbraw/zinc/87/84/28/1136878428.db2.gz SVYONIIKDXCCCY-SMDDNHRTSA-N 1 3 341.456 -0.345 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000642768809 376088651 /nfs/dbraw/zinc/08/86/51/376088651.db2.gz GFXYFKNEGYCGTK-DVOMOZLQSA-N 1 3 340.493 -0.107 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CCO1 ZINC000642733344 376058494 /nfs/dbraw/zinc/05/84/94/376058494.db2.gz FUWGBTPNKZWVIS-MGPQQGTHSA-N 1 3 326.441 -0.448 20 0 EBADHO O[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719236 376188058 /nfs/dbraw/zinc/18/80/58/376188058.db2.gz QIGJXFPXENHPOF-OALUTQOASA-N 1 3 349.475 -0.094 20 0 EBADHO O[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719236 376188066 /nfs/dbraw/zinc/18/80/66/376188066.db2.gz QIGJXFPXENHPOF-OALUTQOASA-N 1 3 349.475 -0.094 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CS1 ZINC000564820267 376149411 /nfs/dbraw/zinc/14/94/11/376149411.db2.gz ZMEUUGUJRMXGRC-QWHCGFSZSA-N 1 3 330.498 -0.052 20 0 EBADHO Cc1noc(C)c1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000559296531 376407414 /nfs/dbraw/zinc/40/74/14/376407414.db2.gz RCSHFDCQAKZIEB-UHFFFAOYSA-N 1 3 339.440 -0.141 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000569457960 376437257 /nfs/dbraw/zinc/43/72/57/376437257.db2.gz VRRTUWPYJUEDBY-CQSZACIVSA-N 1 3 339.484 -0.674 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1nccs1 ZINC000560310154 376672219 /nfs/dbraw/zinc/67/22/19/376672219.db2.gz ZBVUSBZBJKUCFA-UHFFFAOYSA-N 1 3 341.481 -0.246 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000583426773 376796366 /nfs/dbraw/zinc/79/63/66/376796366.db2.gz RCGGMEMAJDUBHT-GJZGRUSLSA-N 1 3 342.484 -0.036 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H](CN)C1 ZINC000561244537 376821028 /nfs/dbraw/zinc/82/10/28/376821028.db2.gz DHYNVEQBWZNJOC-OAHLLOKOSA-N 1 3 337.468 -0.922 20 0 EBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000561256699 376824340 /nfs/dbraw/zinc/82/43/40/376824340.db2.gz BOXUJEIJKLVOOH-CHWSQXEVSA-N 1 3 338.452 -0.578 20 0 EBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000562961588 377068525 /nfs/dbraw/zinc/06/85/25/377068525.db2.gz CTCBUJJDQBBXLA-GJZGRUSLSA-N 1 3 339.484 -0.580 20 0 EBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000562961588 377068533 /nfs/dbraw/zinc/06/85/33/377068533.db2.gz CTCBUJJDQBBXLA-GJZGRUSLSA-N 1 3 339.484 -0.580 20 0 EBADHO COC(=O)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000601040039 377105930 /nfs/dbraw/zinc/10/59/30/377105930.db2.gz UQZIIQYBKWDZLD-UHFFFAOYSA-N 1 3 325.413 -0.228 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642986984 377441217 /nfs/dbraw/zinc/44/12/17/377441217.db2.gz ZHBNHEOMZLMDLX-UKRRQHHQSA-N 1 3 331.420 -0.156 20 0 EBADHO CN1CCN(C)[C@@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000601236876 377479533 /nfs/dbraw/zinc/47/95/33/377479533.db2.gz MMYVHDFVLUZOPO-INIZCTEOSA-N 1 3 340.516 -0.443 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627372087 377510513 /nfs/dbraw/zinc/51/05/13/377510513.db2.gz BTZGCADWUODRAT-ZDUSSCGKSA-N 1 3 326.441 -0.399 20 0 EBADHO N[C@@H]1C[C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342255 377527782 /nfs/dbraw/zinc/52/77/82/377527782.db2.gz ANGRMXCKEQKCMP-QWHCGFSZSA-N 1 3 330.454 -0.954 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCCNC[C@H]2C(=O)OC)CC1 ZINC000592962369 377866350 /nfs/dbraw/zinc/86/63/50/377866350.db2.gz CVYJQQNKDQFLMX-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO COC(=O)[C@H]1CNCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000592984477 377867169 /nfs/dbraw/zinc/86/71/69/377867169.db2.gz NHMSKXKXLMSXOZ-OAHLLOKOSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)C(=O)OC)CC2)CC1 ZINC000594225615 377931757 /nfs/dbraw/zinc/93/17/57/377931757.db2.gz XXJSPXXUOUSKFA-OAHLLOKOSA-N 1 3 341.452 -0.167 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879656 377967670 /nfs/dbraw/zinc/96/76/70/377967670.db2.gz FTKXHFXRGNSBLL-RRFJBIMHSA-N 1 3 336.436 -0.600 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CCN2C1=O ZINC000594879656 377967672 /nfs/dbraw/zinc/96/76/72/377967672.db2.gz FTKXHFXRGNSBLL-RRFJBIMHSA-N 1 3 336.436 -0.600 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265890 377984280 /nfs/dbraw/zinc/98/42/80/377984280.db2.gz WIOVLEAOKZUMDP-CABCVRRESA-N 1 3 329.404 -0.257 20 0 EBADHO COC(=O)CCN1CCC[C@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890805 378032836 /nfs/dbraw/zinc/03/28/36/378032836.db2.gz FGMZADLBPSSRBQ-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109471 378431699 /nfs/dbraw/zinc/43/16/99/378431699.db2.gz DAROOZKEGJPGCT-VHSXEESVSA-N 1 3 340.346 -0.781 20 0 EBADHO Cc1ncccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637092140 378476197 /nfs/dbraw/zinc/47/61/97/378476197.db2.gz HPKZZKMZZCZHGZ-UHFFFAOYSA-N 1 3 335.452 -0.042 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000637264558 378554323 /nfs/dbraw/zinc/55/43/23/378554323.db2.gz LJBISSBONJJJJB-UONOGXRCSA-N 1 3 343.472 -0.456 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000637264558 378554329 /nfs/dbraw/zinc/55/43/29/378554329.db2.gz LJBISSBONJJJJB-UONOGXRCSA-N 1 3 343.472 -0.456 20 0 EBADHO C[C@@H]1CCNC(=O)[C@@H]1NCCOCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000571013290 378753604 /nfs/dbraw/zinc/75/36/04/378753604.db2.gz PUXAQAVGSSXYCL-AAVRWANBSA-N 1 3 326.441 -0.769 20 0 EBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)CC1=O ZINC000452794306 379097287 /nfs/dbraw/zinc/09/72/87/379097287.db2.gz GFAVFVSHNQUAKY-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629788334 379131479 /nfs/dbraw/zinc/13/14/79/379131479.db2.gz PGJFRJYVKROESO-MNOVXSKESA-N 1 3 338.374 -0.008 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000627401177 379133338 /nfs/dbraw/zinc/13/33/38/379133338.db2.gz OMGRFPMWAJDISR-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000629798758 379141936 /nfs/dbraw/zinc/14/19/36/379141936.db2.gz ZPLJVOZTQIPMNY-AWEZNQCLSA-N 1 3 325.457 -0.968 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000629800861 379144111 /nfs/dbraw/zinc/14/41/11/379144111.db2.gz CHHXFPDWVOKRLI-CQSZACIVSA-N 1 3 328.457 -0.247 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000629808956 379145569 /nfs/dbraw/zinc/14/55/69/379145569.db2.gz LROZQKLXGWBGAW-UHFFFAOYSA-N 1 3 326.441 -0.493 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627302393 379232225 /nfs/dbraw/zinc/23/22/25/379232225.db2.gz KPMDBMNTEZEJSI-CQSZACIVSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312398 379303695 /nfs/dbraw/zinc/30/36/95/379303695.db2.gz XTWLBUOFNRNVJL-KFWWJZLASA-N 1 3 342.484 -0.097 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621845676 379368969 /nfs/dbraw/zinc/36/89/69/379368969.db2.gz NMYXWHXASVVQKQ-CJNGLKHVSA-N 1 3 326.441 -0.589 20 0 EBADHO C[C@@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000641494745 379431170 /nfs/dbraw/zinc/43/11/70/379431170.db2.gz YSYZWVAGGNBOPA-HIFRSBDPSA-N 1 3 335.452 -0.078 20 0 EBADHO Nc1nc(N)nc(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000624003959 379499622 /nfs/dbraw/zinc/49/96/22/379499622.db2.gz PWXGLXFNVNBCMQ-UHFFFAOYSA-N 1 3 329.408 -0.313 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000627392763 379579133 /nfs/dbraw/zinc/57/91/33/379579133.db2.gz FBHHZBKDMYPUNI-UHFFFAOYSA-N 1 3 328.457 -0.201 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000627404570 379583782 /nfs/dbraw/zinc/58/37/82/379583782.db2.gz JSWJUKOETIFOGM-CYBMUJFWSA-N 1 3 326.441 -0.447 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627425356 379592152 /nfs/dbraw/zinc/59/21/52/379592152.db2.gz NANVOIRDMYMLKI-UONOGXRCSA-N 1 3 326.441 -0.399 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425687 379593160 /nfs/dbraw/zinc/59/31/60/379593160.db2.gz XFAYCLATZFUNLO-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1(C)C ZINC000642647790 379560055 /nfs/dbraw/zinc/56/00/55/379560055.db2.gz UURFRVRRFUUZPQ-CQSZACIVSA-N 1 3 339.484 -0.613 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1(C)C ZINC000642647789 379560171 /nfs/dbraw/zinc/56/01/71/379560171.db2.gz UURFRVRRFUUZPQ-AWEZNQCLSA-N 1 3 339.484 -0.613 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000627358107 379566035 /nfs/dbraw/zinc/56/60/35/379566035.db2.gz ARIHYMUPCBTZLB-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627488182 379635809 /nfs/dbraw/zinc/63/58/09/379635809.db2.gz SWLNGCXLXDGSEM-UHFFFAOYSA-N 1 3 328.457 -0.199 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000627488536 379636434 /nfs/dbraw/zinc/63/64/34/379636434.db2.gz BJUZNHDPHOBWEA-AWEZNQCLSA-N 1 3 326.441 -0.445 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000627459260 379607344 /nfs/dbraw/zinc/60/73/44/379607344.db2.gz DWOSYHJFKKAGMT-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000642190883 379734378 /nfs/dbraw/zinc/73/43/78/379734378.db2.gz AKANHFKKDKJSLP-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)N(C)C)O1)[NH+](C)C ZINC000495014160 379702057 /nfs/dbraw/zinc/70/20/57/379702057.db2.gz BVWBNCJDWGTBBD-CRWXNKLISA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)O1)N(C)C ZINC000495014160 379702068 /nfs/dbraw/zinc/70/20/68/379702068.db2.gz BVWBNCJDWGTBBD-CRWXNKLISA-N 1 3 328.457 -0.333 20 0 EBADHO C[NH+](C)CCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000631898813 379768674 /nfs/dbraw/zinc/76/86/74/379768674.db2.gz USVBXRSYIMFTCY-UHFFFAOYSA-N 1 3 346.497 -0.492 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632500424 379870140 /nfs/dbraw/zinc/87/01/40/379870140.db2.gz WFGCZOPDTMYAEY-AWEZNQCLSA-N 1 3 346.497 -0.146 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000642329775 379812716 /nfs/dbraw/zinc/81/27/16/379812716.db2.gz OKYDEQKRJVOIDA-CBBWQLFWSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633087207 379930232 /nfs/dbraw/zinc/93/02/32/379930232.db2.gz HEJLKTNUYQIZEK-OAHLLOKOSA-N 1 3 341.500 -0.332 20 0 EBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637834777 379877243 /nfs/dbraw/zinc/87/72/43/379877243.db2.gz HGSUIPFSKWOMRB-QGZVFWFLSA-N 1 3 333.480 -0.191 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633088878 379932398 /nfs/dbraw/zinc/93/23/98/379932398.db2.gz IYUVQKBEXLEMKA-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1=O ZINC000633106196 379940042 /nfs/dbraw/zinc/94/00/42/379940042.db2.gz LONQZPSLQPBXTG-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1=O ZINC000633106196 379940045 /nfs/dbraw/zinc/94/00/45/379940045.db2.gz LONQZPSLQPBXTG-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000355277506 380178633 /nfs/dbraw/zinc/17/86/33/380178633.db2.gz VZSICUVHDMGDEX-HNNXBMFYSA-N 1 3 341.500 -0.461 20 0 EBADHO CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000615216514 380296345 /nfs/dbraw/zinc/29/63/45/380296345.db2.gz YWHHZPAPJNVYMJ-MJBXVCDLSA-N 1 3 330.473 -0.398 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825942 380435198 /nfs/dbraw/zinc/43/51/98/380435198.db2.gz LABMEIMLCUBAIF-JSGCOSHPSA-N 1 3 336.440 -0.303 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825942 380435204 /nfs/dbraw/zinc/43/52/04/380435204.db2.gz LABMEIMLCUBAIF-JSGCOSHPSA-N 1 3 336.440 -0.303 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825941 380435800 /nfs/dbraw/zinc/43/58/00/380435800.db2.gz LABMEIMLCUBAIF-GXTWGEPZSA-N 1 3 336.440 -0.303 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000362825941 380435811 /nfs/dbraw/zinc/43/58/11/380435811.db2.gz LABMEIMLCUBAIF-GXTWGEPZSA-N 1 3 336.440 -0.303 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943373 380444981 /nfs/dbraw/zinc/44/49/81/380444981.db2.gz YECLWYPMVISCGD-CVEARBPZSA-N 1 3 326.485 -0.310 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943373 380444988 /nfs/dbraw/zinc/44/49/88/380444988.db2.gz YECLWYPMVISCGD-CVEARBPZSA-N 1 3 326.485 -0.310 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)CNCCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC000566232984 380455483 /nfs/dbraw/zinc/45/54/83/380455483.db2.gz GBWXYQYBUHVNQM-UXLLHSPISA-N 1 3 329.485 -0.107 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000565294494 380414344 /nfs/dbraw/zinc/41/43/44/380414344.db2.gz NJDHRACGUMPCRR-OAHLLOKOSA-N 1 3 337.468 -0.064 20 0 EBADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)NC(N)=O)CC2)CC1 ZINC000368331792 380502918 /nfs/dbraw/zinc/50/29/18/380502918.db2.gz KUOSPWRJIBEYTH-UHFFFAOYSA-N 1 3 325.457 -0.079 20 0 EBADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249380 380508766 /nfs/dbraw/zinc/50/87/66/380508766.db2.gz BSBILSRQDCMYJA-UKRRQHHQSA-N 1 3 346.497 -0.113 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340482309 380512946 /nfs/dbraw/zinc/51/29/46/380512946.db2.gz FPPROKSYLVYYMF-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340482309 380512949 /nfs/dbraw/zinc/51/29/49/380512949.db2.gz FPPROKSYLVYYMF-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@H](CN)C1 ZINC000567604250 380530332 /nfs/dbraw/zinc/53/03/32/380530332.db2.gz CYPHQOHKSASMBU-OAHLLOKOSA-N 1 3 339.484 -0.722 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000572712886 380641456 /nfs/dbraw/zinc/64/14/56/380641456.db2.gz JHOGZRJVKYHXIT-CABCVRRESA-N 1 3 340.468 -0.247 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492050 380604841 /nfs/dbraw/zinc/60/48/41/380604841.db2.gz AFULYESVXTXWPX-RFQIPJPRSA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568492050 380604846 /nfs/dbraw/zinc/60/48/46/380604846.db2.gz AFULYESVXTXWPX-RFQIPJPRSA-N 1 3 338.452 -0.089 20 0 EBADHO C[N@H+](C[C@@H](O)CNCC1(N2CCOCC2)CCOCC1)C1CC1 ZINC000582296426 380628179 /nfs/dbraw/zinc/62/81/79/380628179.db2.gz IRKJAOFJQZGCAV-INIZCTEOSA-N 1 3 327.469 -0.088 20 0 EBADHO C[N@@H+](C[C@@H](O)CNCC1(N2CCOCC2)CCOCC1)C1CC1 ZINC000582296426 380628183 /nfs/dbraw/zinc/62/81/83/380628183.db2.gz IRKJAOFJQZGCAV-INIZCTEOSA-N 1 3 327.469 -0.088 20 0 EBADHO O=C(NC1CNC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000573226190 380663422 /nfs/dbraw/zinc/66/34/22/380663422.db2.gz AOBOKTUYDDMBQP-UHFFFAOYSA-N 1 3 330.432 -0.102 20 0 EBADHO C[C@H]1CC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000573234667 380665349 /nfs/dbraw/zinc/66/53/49/380665349.db2.gz DUHNFVMMZQSGRL-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO O=C(CCOC1CNC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000573916208 380692669 /nfs/dbraw/zinc/69/26/69/380692669.db2.gz LUOPATQENNBQBN-UKRRQHHQSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784938 380757789 /nfs/dbraw/zinc/75/77/89/380757789.db2.gz YCFKNFWEDAKSKF-ZBFHGGJFSA-N 1 3 340.468 -0.297 20 0 EBADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000583693730 380850620 /nfs/dbraw/zinc/85/06/20/380850620.db2.gz GRECRHXZMDLVHJ-IYBDPMFKSA-N 1 3 334.464 -0.001 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417429817 380887039 /nfs/dbraw/zinc/88/70/39/380887039.db2.gz NWNYAHGVXACMGU-KGLIPLIRSA-N 1 3 325.457 -0.034 20 0 EBADHO COCCN(C)CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417443711 380890970 /nfs/dbraw/zinc/89/09/70/380890970.db2.gz ZQBBKBGJSCJAQD-CQSZACIVSA-N 1 3 343.472 -0.406 20 0 EBADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580942677 381046156 /nfs/dbraw/zinc/04/61/56/381046156.db2.gz NAOSFPLBABUSNE-INIZCTEOSA-N 1 3 345.447 -0.018 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000617507196 381035712 /nfs/dbraw/zinc/03/57/12/381035712.db2.gz MEQHNXKNIQFFHF-ZFWWWQNUSA-N 1 3 325.457 -0.288 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000617507196 381035721 /nfs/dbraw/zinc/03/57/21/381035721.db2.gz MEQHNXKNIQFFHF-ZFWWWQNUSA-N 1 3 325.457 -0.288 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000617507195 381037816 /nfs/dbraw/zinc/03/78/16/381037816.db2.gz MEQHNXKNIQFFHF-DZGCQCFKSA-N 1 3 325.457 -0.288 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000617507195 381037826 /nfs/dbraw/zinc/03/78/26/381037826.db2.gz MEQHNXKNIQFFHF-DZGCQCFKSA-N 1 3 325.457 -0.288 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1CSCCN1 ZINC000193706821 381043540 /nfs/dbraw/zinc/04/35/40/381043540.db2.gz MFAKMIFCPRYSDD-CHWSQXEVSA-N 1 3 328.482 -0.072 20 0 EBADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581602066 381086584 /nfs/dbraw/zinc/08/65/84/381086584.db2.gz VIGZOSZRFLKGDY-HUUCEWRRSA-N 1 3 339.484 -0.722 20 0 EBADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581602066 381086592 /nfs/dbraw/zinc/08/65/92/381086592.db2.gz VIGZOSZRFLKGDY-HUUCEWRRSA-N 1 3 339.484 -0.722 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642431206 381091406 /nfs/dbraw/zinc/09/14/06/381091406.db2.gz WEVRVVXQKPNIPE-ZNMIVQPWSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642440182 381094737 /nfs/dbraw/zinc/09/47/37/381094737.db2.gz YDJLEFKGBLKVOL-BFHYXJOUSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000583802299 381141748 /nfs/dbraw/zinc/14/17/48/381141748.db2.gz OUWJELKGVCOORS-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@]12CN(CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@]1(C)C(=O)NC2=O ZINC000639944984 381153118 /nfs/dbraw/zinc/15/31/18/381153118.db2.gz HADMVJDCYJZLRY-QZTJIDSGSA-N 1 3 348.447 -0.286 20 0 EBADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000584396662 381125690 /nfs/dbraw/zinc/12/56/90/381125690.db2.gz JVUVVYNYTNERNJ-HNNXBMFYSA-N 1 3 342.484 -0.178 20 0 EBADHO C[C@@H](CO)N1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231573 381188643 /nfs/dbraw/zinc/18/86/43/381188643.db2.gz NSCZRYSZWBFZFL-GJZGRUSLSA-N 1 3 340.468 -0.688 20 0 EBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000633141413 381241768 /nfs/dbraw/zinc/24/17/68/381241768.db2.gz JZTPUUJOTRQKPT-STQMWFEESA-N 1 3 326.441 -0.496 20 0 EBADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000418828516 381289011 /nfs/dbraw/zinc/28/90/11/381289011.db2.gz FSLQIGUJORIBOR-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418874851 381323885 /nfs/dbraw/zinc/32/38/85/381323885.db2.gz CLAZARIJVKMUKT-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418876908 381325738 /nfs/dbraw/zinc/32/57/38/381325738.db2.gz HKVXFNVFBMSMLS-UONOGXRCSA-N 1 3 328.457 -0.297 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418876907 381325834 /nfs/dbraw/zinc/32/58/34/381325834.db2.gz HKVXFNVFBMSMLS-KGLIPLIRSA-N 1 3 328.457 -0.297 20 0 EBADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643478771 381328499 /nfs/dbraw/zinc/32/84/99/381328499.db2.gz DSSBXYLZOYUVMA-SFHVURJKSA-N 1 3 343.431 -0.058 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000643478969 381329019 /nfs/dbraw/zinc/32/90/19/381329019.db2.gz WDSHQJSWAZEITM-ZFWWWQNUSA-N 1 3 347.419 -0.695 20 0 EBADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419028069 381358381 /nfs/dbraw/zinc/35/83/81/381358381.db2.gz PULNXKHSQZZYNB-LJISPDSOSA-N 1 3 340.468 -0.426 20 0 EBADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419028069 381358388 /nfs/dbraw/zinc/35/83/88/381358388.db2.gz PULNXKHSQZZYNB-LJISPDSOSA-N 1 3 340.468 -0.426 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419082238 381361463 /nfs/dbraw/zinc/36/14/63/381361463.db2.gz UEELEBOZYKXPSL-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000419010050 381363034 /nfs/dbraw/zinc/36/30/34/381363034.db2.gz YAUXCFGLUZGEMY-CQSZACIVSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419096444 381374553 /nfs/dbraw/zinc/37/45/53/381374553.db2.gz CKUUNBXIOLXAAJ-IHRRRGAJSA-N 1 3 326.441 -0.842 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419372381 381425040 /nfs/dbraw/zinc/42/50/40/381425040.db2.gz KNUXOKPNZLAOHG-OAHLLOKOSA-N 1 3 330.432 -0.320 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419451262 381438852 /nfs/dbraw/zinc/43/88/52/381438852.db2.gz MYSUFMLCHIYSQQ-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000419590687 381459199 /nfs/dbraw/zinc/45/91/99/381459199.db2.gz UNQYEQMHZDVKLK-DOMZBBRYSA-N 1 3 328.482 -0.202 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419595736 381462489 /nfs/dbraw/zinc/46/24/89/381462489.db2.gz XBQXNGPAAZQJQA-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000419866441 381512659 /nfs/dbraw/zinc/51/26/59/381512659.db2.gz GQQALDMHDDAXCI-SFHVURJKSA-N 1 3 348.447 -0.583 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419865727 381513929 /nfs/dbraw/zinc/51/39/29/381513929.db2.gz UBUXERKRDJHWDR-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419771829 381488881 /nfs/dbraw/zinc/48/88/81/381488881.db2.gz HIDXGVHJKWFEJS-CQSZACIVSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420150197 381548738 /nfs/dbraw/zinc/54/87/38/381548738.db2.gz WPWGCHMNNXAEBG-KFWWJZLASA-N 1 3 340.468 -0.330 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420150855 381549476 /nfs/dbraw/zinc/54/94/76/381549476.db2.gz AGUWAWALTBORRX-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO COC(=O)CN(C)C(=O)CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420318403 381579067 /nfs/dbraw/zinc/57/90/67/381579067.db2.gz WAHXZKMJEYMCOS-CYBMUJFWSA-N 1 3 342.440 -0.673 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000420162697 381553304 /nfs/dbraw/zinc/55/33/04/381553304.db2.gz YIVHWPQMQKNQCS-CYBMUJFWSA-N 1 3 349.435 -0.147 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000420204718 381568031 /nfs/dbraw/zinc/56/80/31/381568031.db2.gz SRJMFLSYNQFSJN-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000420445393 381587295 /nfs/dbraw/zinc/58/72/95/381587295.db2.gz ADJCXTBTWNXIQL-AWEZNQCLSA-N 1 3 326.466 -0.070 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CC[C@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000351488959 381628504 /nfs/dbraw/zinc/62/85/04/381628504.db2.gz GUADYWAIKLPTFR-AVGNSLFASA-N 1 3 346.435 -0.507 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000331642103 381720577 /nfs/dbraw/zinc/72/05/77/381720577.db2.gz NGGYJJUXQFFETP-ZOBORPQBSA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000331642103 381720583 /nfs/dbraw/zinc/72/05/83/381720583.db2.gz NGGYJJUXQFFETP-ZOBORPQBSA-N 1 3 338.452 -0.089 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000627395000 381799074 /nfs/dbraw/zinc/79/90/74/381799074.db2.gz XILCELFBOVLSKQ-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H]1C[NH3+] ZINC000643509651 381928604 /nfs/dbraw/zinc/92/86/04/381928604.db2.gz DNFTVSSWPXXFMV-HUUCEWRRSA-N 1 3 341.500 -0.619 20 0 EBADHO CN(C)C(=O)CCN1CCC([NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629561504 382223470 /nfs/dbraw/zinc/22/34/70/382223470.db2.gz IDSOZRJIVALRDS-MRXNPFEDSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCSC1 ZINC000331406194 155367596 /nfs/dbraw/zinc/36/75/96/155367596.db2.gz BDCPMGAOOSPNMK-XEZPLFJOSA-N 1 3 340.493 -0.392 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000237161594 154171524 /nfs/dbraw/zinc/17/15/24/154171524.db2.gz UDJVFXBBKYNMLG-CQSZACIVSA-N 1 3 340.468 -0.247 20 0 EBADHO OC[C@H]1C[C@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000248389408 154189027 /nfs/dbraw/zinc/18/90/27/154189027.db2.gz GJQHAADKPRYVDZ-MHORFTMASA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@H]1C[C@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000248389408 154189030 /nfs/dbraw/zinc/18/90/30/154189030.db2.gz GJQHAADKPRYVDZ-MHORFTMASA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1CO ZINC000248389408 154189033 /nfs/dbraw/zinc/18/90/33/154189033.db2.gz GJQHAADKPRYVDZ-MHORFTMASA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1CO ZINC000248389408 154189034 /nfs/dbraw/zinc/18/90/34/154189034.db2.gz GJQHAADKPRYVDZ-MHORFTMASA-N 1 3 336.432 -0.458 20 0 EBADHO NC(=O)N[C@@H]1CCN(CCCCC[N@@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000342873063 156066947 /nfs/dbraw/zinc/06/69/47/156066947.db2.gz FDMWLRXSEBNFQL-BETUJISGSA-N 1 3 326.445 -0.358 20 0 EBADHO NC(=O)N[C@@H]1CCN(CCCCC[N@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000342873063 156066952 /nfs/dbraw/zinc/06/69/52/156066952.db2.gz FDMWLRXSEBNFQL-BETUJISGSA-N 1 3 326.445 -0.358 20 0 EBADHO NC(=O)N[C@@H]1CC[N@@H+](CCCCCN2CC[C@H](NC(N)=O)C2)C1 ZINC000342873063 156066953 /nfs/dbraw/zinc/06/69/53/156066953.db2.gz FDMWLRXSEBNFQL-BETUJISGSA-N 1 3 326.445 -0.358 20 0 EBADHO NC(=O)N[C@@H]1CC[N@H+](CCCCCN2CC[C@H](NC(N)=O)C2)C1 ZINC000342873063 156066957 /nfs/dbraw/zinc/06/69/57/156066957.db2.gz FDMWLRXSEBNFQL-BETUJISGSA-N 1 3 326.445 -0.358 20 0 EBADHO CCN1CCN(CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000346160520 156386956 /nfs/dbraw/zinc/38/69/56/156386956.db2.gz WUBSYZPHEJEMOR-INIZCTEOSA-N 1 3 325.501 -0.376 20 0 EBADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)O1 ZINC000346229221 156390832 /nfs/dbraw/zinc/39/08/32/156390832.db2.gz RUIMGVCGOHATGB-MQYQWHSLSA-N 1 3 328.457 -0.333 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000346238587 156391428 /nfs/dbraw/zinc/39/14/28/156391428.db2.gz NXBBBULQOKEFLT-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc21 ZINC000357901488 157185033 /nfs/dbraw/zinc/18/50/33/157185033.db2.gz DHRDBOFUBKRFLR-RYUDHWBXSA-N 1 3 334.376 -0.183 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000360278976 157371711 /nfs/dbraw/zinc/37/17/11/157371711.db2.gz LVGZNFPARVLVIU-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000360570973 157386418 /nfs/dbraw/zinc/38/64/18/157386418.db2.gz BWHKZVOEUSRSMY-CABCVRRESA-N 1 3 325.457 -0.314 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000419583470 419018279 /nfs/dbraw/zinc/01/82/79/419018279.db2.gz LDZDOEAHIJTUQI-JMSVASOKSA-N 1 3 328.482 -0.074 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000518332510 419022938 /nfs/dbraw/zinc/02/29/38/419022938.db2.gz PDDMKYHXZWDINM-HUUCEWRRSA-N 1 3 342.484 -0.442 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410502941 419035581 /nfs/dbraw/zinc/03/55/81/419035581.db2.gz KWVCZPCFYOHGOY-UHFFFAOYSA-N 1 3 342.484 -0.177 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000653180313 419045938 /nfs/dbraw/zinc/04/59/38/419045938.db2.gz IUUZRDANQCHKGL-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000665760626 419009862 /nfs/dbraw/zinc/00/98/62/419009862.db2.gz LYTDYUDODQWGEV-HOTGVXAUSA-N 1 3 341.500 -0.016 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000665760626 419009866 /nfs/dbraw/zinc/00/98/66/419009866.db2.gz LYTDYUDODQWGEV-HOTGVXAUSA-N 1 3 341.500 -0.016 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000650858811 419082866 /nfs/dbraw/zinc/08/28/66/419082866.db2.gz HUROAHGWCLGDSV-CQSZACIVSA-N 1 3 325.457 -0.256 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000650858811 419082870 /nfs/dbraw/zinc/08/28/70/419082870.db2.gz HUROAHGWCLGDSV-CQSZACIVSA-N 1 3 325.457 -0.256 20 0 EBADHO CCN1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000651317631 419186780 /nfs/dbraw/zinc/18/67/80/419186780.db2.gz PAARQONYYSMTSS-AWEZNQCLSA-N 1 3 327.473 -0.010 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339320717 419258409 /nfs/dbraw/zinc/25/84/09/419258409.db2.gz ZJRRJQSBQCKXCV-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339320717 419258412 /nfs/dbraw/zinc/25/84/12/419258412.db2.gz ZJRRJQSBQCKXCV-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000652624068 419241225 /nfs/dbraw/zinc/24/12/25/419241225.db2.gz YUCRQZXTBNFLML-JSGCOSHPSA-N 1 3 334.424 -0.406 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000652622180 419241949 /nfs/dbraw/zinc/24/19/49/419241949.db2.gz COWMMMLVSKOCKX-NWANDNLSSA-N 1 3 348.451 -0.031 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729533 419324295 /nfs/dbraw/zinc/32/42/95/419324295.db2.gz JNVZJZIWMJYNTP-KBUPBQIOSA-N 1 3 340.468 -0.393 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652730435 419328908 /nfs/dbraw/zinc/32/89/08/419328908.db2.gz ZLQTWMUQDBXFPA-KBUPBQIOSA-N 1 3 340.468 -0.250 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730434 419329179 /nfs/dbraw/zinc/32/91/79/419329179.db2.gz ZLQTWMUQDBXFPA-GBJTYRQASA-N 1 3 340.468 -0.250 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724205 419319774 /nfs/dbraw/zinc/31/97/74/419319774.db2.gz YSIDHXGHAXQVHM-UHFFFAOYSA-N 1 3 341.500 -0.556 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C[C@H]1C[NH3+] ZINC000652726710 419320219 /nfs/dbraw/zinc/32/02/19/419320219.db2.gz JVCFUIXNTBALBQ-HUUCEWRRSA-N 1 3 342.484 -0.145 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348014521 419497404 /nfs/dbraw/zinc/49/74/04/419497404.db2.gz MXGOGBZVHGZXED-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348014521 419497411 /nfs/dbraw/zinc/49/74/11/419497411.db2.gz MXGOGBZVHGZXED-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659717437 419787061 /nfs/dbraw/zinc/78/70/61/419787061.db2.gz HVZIXRDUFOZQHG-KGLIPLIRSA-N 1 3 326.441 -0.545 20 0 EBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659738878 419805091 /nfs/dbraw/zinc/80/50/91/419805091.db2.gz JWGGFGNRQCXZGD-HUUCEWRRSA-N 1 3 338.452 -0.304 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419899841 419815582 /nfs/dbraw/zinc/81/55/82/419815582.db2.gz ZIUPNXKAZABMQX-ZDUSSCGKSA-N 1 3 347.419 -0.393 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420049000 419835743 /nfs/dbraw/zinc/83/57/43/419835743.db2.gz XXLKQDYTWWKVGG-QWHCGFSZSA-N 1 3 344.456 -0.748 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422491110 419895317 /nfs/dbraw/zinc/89/53/17/419895317.db2.gz NNGHBFRBGHVQBJ-OAHLLOKOSA-N 1 3 342.484 -0.129 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422491110 419895325 /nfs/dbraw/zinc/89/53/25/419895325.db2.gz NNGHBFRBGHVQBJ-OAHLLOKOSA-N 1 3 342.484 -0.129 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423207041 419923646 /nfs/dbraw/zinc/92/36/46/419923646.db2.gz GKTYUZJWBKGNBD-CQSZACIVSA-N 1 3 342.484 -0.001 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423260889 419927178 /nfs/dbraw/zinc/92/71/78/419927178.db2.gz IPTJDRIRESMVQX-SOUVJXGZSA-N 1 3 340.468 -0.391 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000515158207 419978547 /nfs/dbraw/zinc/97/85/47/419978547.db2.gz KZTRTBZVAYZYFI-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000515342510 419980538 /nfs/dbraw/zinc/98/05/38/419980538.db2.gz SYYMPWFFPMECGB-UHFFFAOYSA-N 1 3 334.420 -0.327 20 0 EBADHO COC1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000167214726 420527105 /nfs/dbraw/zinc/52/71/05/420527105.db2.gz JUFNGKRBIDWLML-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002950 420531019 /nfs/dbraw/zinc/53/10/19/420531019.db2.gz KXTZDQZWRYJFFJ-HUUCEWRRSA-N 1 3 337.468 -0.907 20 0 EBADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N(C)C1CC1 ZINC000355419627 420590402 /nfs/dbraw/zinc/59/04/02/420590402.db2.gz CURZQOBMCBPKSN-LBPRGKRZSA-N 1 3 336.440 -0.018 20 0 EBADHO Cn1c2ncn(CCN3CCC(CC[NH3+])CC3)c2c(=O)n(C)c1=O ZINC000516872571 420694069 /nfs/dbraw/zinc/69/40/69/420694069.db2.gz GALWUGMXJXASRV-UHFFFAOYSA-N 1 3 334.424 -0.506 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1=O ZINC000649224311 420792638 /nfs/dbraw/zinc/79/26/38/420792638.db2.gz GMYKULINHBEHFD-QLFBSQMISA-N 1 3 340.468 -0.378 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1=O ZINC000649224311 420792641 /nfs/dbraw/zinc/79/26/41/420792641.db2.gz GMYKULINHBEHFD-QLFBSQMISA-N 1 3 340.468 -0.378 20 0 EBADHO COC[C@@H]1C[C@@H](O)CN1CCOCC[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649744182 420813860 /nfs/dbraw/zinc/81/38/60/420813860.db2.gz PVDYBCDQZBXOCG-CAOSSQGBSA-N 1 3 332.441 -0.834 20 0 EBADHO COC[C@@H]1C[C@@H](O)CN1CCOCC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649744182 420813863 /nfs/dbraw/zinc/81/38/63/420813863.db2.gz PVDYBCDQZBXOCG-CAOSSQGBSA-N 1 3 332.441 -0.834 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000655161054 420855460 /nfs/dbraw/zinc/85/54/60/420855460.db2.gz VXZORKRFQMPDJX-CYBMUJFWSA-N 1 3 336.440 -0.363 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000659690358 421015667 /nfs/dbraw/zinc/01/56/67/421015667.db2.gz RVPXVOBBRRSOHA-CYBMUJFWSA-N 1 3 336.436 -0.033 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733030 421024126 /nfs/dbraw/zinc/02/41/26/421024126.db2.gz ADCXDDZRCGXZES-UHFFFAOYSA-N 1 3 327.473 -0.674 20 0 EBADHO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663500227 421132676 /nfs/dbraw/zinc/13/26/76/421132676.db2.gz JBNQXFCOCBVRFB-KGLIPLIRSA-N 1 3 325.457 -0.129 20 0 EBADHO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663500227 421132680 /nfs/dbraw/zinc/13/26/80/421132680.db2.gz JBNQXFCOCBVRFB-KGLIPLIRSA-N 1 3 325.457 -0.129 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cn1 ZINC000662744752 421100358 /nfs/dbraw/zinc/10/03/58/421100358.db2.gz HJUUVSTVDAHZPG-CQSZACIVSA-N 1 3 336.440 -0.113 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCO1 ZINC000662948726 421116668 /nfs/dbraw/zinc/11/66/68/421116668.db2.gz ZWYDUECUYSUCPP-GJZGRUSLSA-N 1 3 340.468 -0.105 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972144 421119214 /nfs/dbraw/zinc/11/92/14/421119214.db2.gz IVRRNLDFMPXTOY-ZFWWWQNUSA-N 1 3 328.457 -0.345 20 0 EBADHO CC(C)[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N1CCN(C)CC1 ZINC000663560942 421133460 /nfs/dbraw/zinc/13/34/60/421133460.db2.gz OFOGRRGPLYCYGJ-PMPSAXMXSA-N 1 3 341.500 -0.425 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1C(=O)CCC1=O ZINC000664116151 421149336 /nfs/dbraw/zinc/14/93/36/421149336.db2.gz HLJYKEQLMKBCFN-ZDUSSCGKSA-N 1 3 341.456 -0.293 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1C(=O)CCC1=O ZINC000664116151 421149339 /nfs/dbraw/zinc/14/93/39/421149339.db2.gz HLJYKEQLMKBCFN-ZDUSSCGKSA-N 1 3 341.456 -0.293 20 0 EBADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000664184191 421150583 /nfs/dbraw/zinc/15/05/83/421150583.db2.gz UGAOJIHALZMGQR-AWEZNQCLSA-N 1 3 343.472 -0.632 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)n1 ZINC000583939824 421191360 /nfs/dbraw/zinc/19/13/60/421191360.db2.gz DRVPVOZTOLFSBF-UHFFFAOYSA-N 1 3 336.440 -0.029 20 0 EBADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000354559982 421220077 /nfs/dbraw/zinc/22/00/77/421220077.db2.gz DCXFWHZZVBJPHZ-CYBMUJFWSA-N 1 3 338.456 0.228 20 0 EBADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000354559982 421220078 /nfs/dbraw/zinc/22/00/78/421220078.db2.gz DCXFWHZZVBJPHZ-CYBMUJFWSA-N 1 3 338.456 0.228 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423065645 264983359 /nfs/dbraw/zinc/98/33/59/264983359.db2.gz VEAJEFXOPWWVHS-CQSZACIVSA-N 1 3 328.457 -0.391 20 0 EBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423500109 265009159 /nfs/dbraw/zinc/00/91/59/265009159.db2.gz IGUKFUDGLARWJY-HNNXBMFYSA-N 1 3 339.484 -0.709 20 0 EBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423642762 265024333 /nfs/dbraw/zinc/02/43/33/265024333.db2.gz IMIDULTVEIHNTL-CABCVRRESA-N 1 3 340.468 -0.105 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2CN)C1 ZINC000423680757 265031830 /nfs/dbraw/zinc/03/18/30/265031830.db2.gz UUNLMYMKFPEZQG-QLFBSQMISA-N 1 3 340.468 -0.106 20 0 EBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423722721 265037735 /nfs/dbraw/zinc/03/77/35/265037735.db2.gz PUTMRWXJXYDDEU-KGLIPLIRSA-N 1 3 339.484 -0.581 20 0 EBADHO C[C@@H]1[C@H](N(C)CCO)CC[N@@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000429172018 265133720 /nfs/dbraw/zinc/13/37/20/265133720.db2.gz JGFKTULJXQCMPF-BPKGMFCQSA-N 1 3 329.485 -0.157 20 0 EBADHO C[C@@H]1[C@H](N(C)CCO)CC[N@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000429172018 265133723 /nfs/dbraw/zinc/13/37/23/265133723.db2.gz JGFKTULJXQCMPF-BPKGMFCQSA-N 1 3 329.485 -0.157 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000436318436 265239531 /nfs/dbraw/zinc/23/95/31/265239531.db2.gz XUJTVOOXGGTOPK-CXAGYDPISA-N 1 3 348.451 -0.111 20 0 EBADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000519691937 265642577 /nfs/dbraw/zinc/64/25/77/265642577.db2.gz PIRSLCNLHRDSMR-UHFFFAOYSA-N 1 3 334.420 -0.626 20 0 EBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516916786 272888525 /nfs/dbraw/zinc/88/85/25/272888525.db2.gz SUJLSVYJLHVQJB-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO COC1CCN(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000674325517 546160884 /nfs/dbraw/zinc/16/08/84/546160884.db2.gz UYSBPHCPLYDNNZ-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174275 546366441 /nfs/dbraw/zinc/36/64/41/546366441.db2.gz GKJWDOQSNTUNJD-RHSMWYFYSA-N 1 3 340.468 -0.688 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891480355 582556937 /nfs/dbraw/zinc/55/69/37/582556937.db2.gz BCHSFSBGNTUDJS-MGPQQGTHSA-N 1 3 325.457 -0.034 20 0 EBADHO CN(C)CCN(C)c1nc(NC2CC2)nc(N(C)CC[NH+](C)C)n1 ZINC000892776213 582587454 /nfs/dbraw/zinc/58/74/54/582587454.db2.gz DNSDXBKBTNZHCK-UHFFFAOYSA-N 1 3 336.488 -0.137 20 0 EBADHO COCCCNC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491955 582809246 /nfs/dbraw/zinc/80/92/46/582809246.db2.gz HNHQWTDAHQSTAQ-JFILPPLUSA-N 1 3 327.425 -0.260 20 0 EBADHO CN(C)c1nc(N)nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903507328 582810440 /nfs/dbraw/zinc/81/04/40/582810440.db2.gz WMBOKPDGNBTNON-OKILXGFUSA-N 1 3 346.483 -0.080 20 0 EBADHO CN(C)c1nc(N)nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903507328 582810442 /nfs/dbraw/zinc/81/04/42/582810442.db2.gz WMBOKPDGNBTNON-OKILXGFUSA-N 1 3 346.483 -0.080 20 0 EBADHO Cc1c(C[C@H](CN)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933938 582823820 /nfs/dbraw/zinc/82/38/20/582823820.db2.gz BKRAQCGRXBIHMU-JLZZUVOBSA-N 1 3 333.436 -0.169 20 0 EBADHO Cc1c(C[C@H](CN)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933938 582823821 /nfs/dbraw/zinc/82/38/21/582823821.db2.gz BKRAQCGRXBIHMU-JLZZUVOBSA-N 1 3 333.436 -0.169 20 0 EBADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000746423864 583106837 /nfs/dbraw/zinc/10/68/37/583106837.db2.gz XRUCNHUFVXVLIM-CYBMUJFWSA-N 1 3 336.440 -0.016 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000774431149 583384305 /nfs/dbraw/zinc/38/43/05/583384305.db2.gz KDBAWUNLFPTNTC-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000775036483 583394342 /nfs/dbraw/zinc/39/43/42/583394342.db2.gz UOEGSOUWQSEDQS-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1N=NC(=S)N1C ZINC000820259511 583769525 /nfs/dbraw/zinc/76/95/25/583769525.db2.gz DIPKUQLVTSMFGY-UHFFFAOYSA-N 1 3 343.501 -0.219 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CCCCC1 ZINC000842016026 584056356 /nfs/dbraw/zinc/05/63/56/584056356.db2.gz QSSZRAWDGWWZJA-UONOGXRCSA-N 1 3 325.457 -0.922 20 0 EBADHO CCCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000842165367 584058981 /nfs/dbraw/zinc/05/89/81/584058981.db2.gz VHRSCBZLOFXWMT-RRFJBIMHSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@H]1C[NH3+] ZINC000842165385 584059101 /nfs/dbraw/zinc/05/91/01/584059101.db2.gz VVJAYQZVQOZAFY-TUVASFSCSA-N 1 3 338.452 -0.448 20 0 EBADHO [NH3+]C[C@@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843348197 584076556 /nfs/dbraw/zinc/07/65/56/584076556.db2.gz CODOLWWZEPJZFN-LBPRGKRZSA-N 1 3 337.424 -0.057 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181493 584090208 /nfs/dbraw/zinc/09/02/08/584090208.db2.gz SHZFORZLUOBEGY-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCO[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000846143001 584122378 /nfs/dbraw/zinc/12/23/78/584122378.db2.gz CBBWIGOVWHADDS-LXTVHRRPSA-N 1 3 326.441 -0.145 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000851684936 584198433 /nfs/dbraw/zinc/19/84/33/584198433.db2.gz NLJXLHMAZJCKGK-GXTWGEPZSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865313 584217888 /nfs/dbraw/zinc/21/78/88/584217888.db2.gz YWTKAWVPPFTRBR-WCQYABFASA-N 1 3 325.413 -0.851 20 0 EBADHO NC[C@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)=NO1 ZINC000852902377 584219652 /nfs/dbraw/zinc/21/96/52/584219652.db2.gz DRDBEWGQUIYLBV-LSDHHAIUSA-N 1 3 332.404 -0.027 20 0 EBADHO NC[C@H]1CC(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)=NO1 ZINC000852902377 584219654 /nfs/dbraw/zinc/21/96/54/584219654.db2.gz DRDBEWGQUIYLBV-LSDHHAIUSA-N 1 3 332.404 -0.027 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861773276 584338378 /nfs/dbraw/zinc/33/83/78/584338378.db2.gz KNDHMKHTMUIENZ-ZIAGYGMSSA-N 1 3 327.473 -0.818 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867442567 584408164 /nfs/dbraw/zinc/40/81/64/584408164.db2.gz IUXYLSPJRINMSZ-HUUCEWRRSA-N 1 3 340.468 -0.424 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867442567 584408165 /nfs/dbraw/zinc/40/81/65/584408165.db2.gz IUXYLSPJRINMSZ-HUUCEWRRSA-N 1 3 340.468 -0.424 20 0 EBADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998828 584450859 /nfs/dbraw/zinc/45/08/59/584450859.db2.gz HIVNYFBVXLBNPZ-JJXSEGSLSA-N 1 3 344.415 -0.050 20 0 EBADHO O=C([C@@H]1CNCCC1(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303494 584461526 /nfs/dbraw/zinc/46/15/26/584461526.db2.gz INKHJBFZJUDBRB-YFKTTZPYSA-N 1 3 344.362 -0.375 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000873106577 584473190 /nfs/dbraw/zinc/47/31/90/584473190.db2.gz ASRSDCGYCBDHRI-BLLLJJGKSA-N 1 3 334.424 -0.549 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000874171077 584479783 /nfs/dbraw/zinc/47/97/83/584479783.db2.gz BCXWHLQCDGOVRT-KBPBESRZSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC000874171077 584479785 /nfs/dbraw/zinc/47/97/85/584479785.db2.gz BCXWHLQCDGOVRT-KBPBESRZSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876748843 584521991 /nfs/dbraw/zinc/52/19/91/584521991.db2.gz HYBJRDJNAHRHPQ-RDBSUJKOSA-N 1 3 328.432 -0.007 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cn1 ZINC000876771422 584523189 /nfs/dbraw/zinc/52/31/89/584523189.db2.gz RTFSTJVWYYUDMS-BXUZGUMPSA-N 1 3 340.403 -0.553 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cn1 ZINC000876771423 584523317 /nfs/dbraw/zinc/52/33/17/584523317.db2.gz RTFSTJVWYYUDMS-FZMZJTMJSA-N 1 3 340.403 -0.553 20 0 EBADHO CN(C)C[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876922100 584526947 /nfs/dbraw/zinc/52/69/47/584526947.db2.gz QQPNJGWYVVXLFM-INIZCTEOSA-N 1 3 333.480 -0.015 20 0 EBADHO c1nnnn1CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883437660 584601316 /nfs/dbraw/zinc/60/13/16/584601316.db2.gz XTSPBXWUMZCDAB-CYBMUJFWSA-N 1 3 331.428 -0.315 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883640307 584604025 /nfs/dbraw/zinc/60/40/25/584604025.db2.gz LUECEFGWVJFGMR-ZFWWWQNUSA-N 1 3 347.419 -0.695 20 0 EBADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000884560125 584627130 /nfs/dbraw/zinc/62/71/30/584627130.db2.gz NZUKSEVICJLQIW-ILXRZTDVSA-N 1 3 338.452 -0.304 20 0 EBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC000884560036 584627177 /nfs/dbraw/zinc/62/71/77/584627177.db2.gz LRQYFOWKQCYCJA-AYMQEEERSA-N 1 3 336.436 -0.966 20 0 EBADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000884560126 584627215 /nfs/dbraw/zinc/62/72/15/584627215.db2.gz NZUKSEVICJLQIW-KFWWJZLASA-N 1 3 338.452 -0.304 20 0 EBADHO CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000884560523 584627625 /nfs/dbraw/zinc/62/76/25/584627625.db2.gz ZMCLOJZXMFQZIW-LSDHHAIUSA-N 1 3 340.468 -0.057 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884587464 584629011 /nfs/dbraw/zinc/62/90/11/584629011.db2.gz JJVIQIAULSTBMT-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000884597684 584629096 /nfs/dbraw/zinc/62/90/96/584629096.db2.gz GZFXZAIWVYJWBG-OAHLLOKOSA-N 1 3 339.484 -0.530 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCSC1 ZINC000884612098 584629650 /nfs/dbraw/zinc/62/96/50/584629650.db2.gz CUMTYXNDADRTTH-MAZHCROVSA-N 1 3 340.493 -0.392 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N(C)C1CC1 ZINC000884617880 584629849 /nfs/dbraw/zinc/62/98/49/584629849.db2.gz UIYSGONLRIIOBI-QWRGUYRKSA-N 1 3 332.395 -0.054 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884662484 584632302 /nfs/dbraw/zinc/63/23/02/584632302.db2.gz QZNCHNSXVKRIBC-UHFFFAOYSA-N 1 3 348.447 -0.357 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688219 584634304 /nfs/dbraw/zinc/63/43/04/584634304.db2.gz WDZOYWKGIUGGMI-KGLIPLIRSA-N 1 3 331.420 -0.013 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884721584 584635889 /nfs/dbraw/zinc/63/58/89/584635889.db2.gz OMNHOEZYXODMQT-CQSZACIVSA-N 1 3 349.435 -0.529 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884923267 584640723 /nfs/dbraw/zinc/64/07/23/584640723.db2.gz LLGRGUFOKWJYDX-SHTZXODSSA-N 1 3 341.500 -0.428 20 0 EBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291685 584647366 /nfs/dbraw/zinc/64/73/66/584647366.db2.gz NOYCUVCPLHCNPA-RYUDHWBXSA-N 1 3 332.395 -0.100 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885292525 584647421 /nfs/dbraw/zinc/64/74/21/584647421.db2.gz WEVNPITWAQVQRI-NWDGAFQWSA-N 1 3 332.395 -0.100 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423263836 650009621 /nfs/dbraw/zinc/00/96/21/650009621.db2.gz PCYZJSTYXQTDAV-MRXNPFEDSA-N 1 3 326.441 -0.623 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904968487 650053033 /nfs/dbraw/zinc/05/30/33/650053033.db2.gz AXGLCHZRFXDHIW-UHFFFAOYSA-N 1 3 326.441 -0.493 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907458127 650083528 /nfs/dbraw/zinc/08/35/28/650083528.db2.gz YAZYMGNUNYPDLN-WBVHZDCISA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907458127 650083531 /nfs/dbraw/zinc/08/35/31/650083531.db2.gz YAZYMGNUNYPDLN-WBVHZDCISA-N 1 3 326.485 -0.025 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186550 650097943 /nfs/dbraw/zinc/09/79/43/650097943.db2.gz WXMJLSJVEIQPEM-ZQIUZPCESA-N 1 3 338.452 -0.747 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)C1=O ZINC000908186550 650097944 /nfs/dbraw/zinc/09/79/44/650097944.db2.gz WXMJLSJVEIQPEM-ZQIUZPCESA-N 1 3 338.452 -0.747 20 0 EBADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027030 650146441 /nfs/dbraw/zinc/14/64/41/650146441.db2.gz BGCMRWYJUUSFKC-HUUCEWRRSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027030 650146444 /nfs/dbraw/zinc/14/64/44/650146444.db2.gz BGCMRWYJUUSFKC-HUUCEWRRSA-N 1 3 339.484 -0.756 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911055914 650148457 /nfs/dbraw/zinc/14/84/57/650148457.db2.gz RDWCFHCWWBRHMT-RHSMWYFYSA-N 1 3 340.468 -0.321 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911055916 650148524 /nfs/dbraw/zinc/14/85/24/650148524.db2.gz RDWCFHCWWBRHMT-YOEHRIQHSA-N 1 3 340.468 -0.321 20 0 EBADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911056916 650148800 /nfs/dbraw/zinc/14/88/00/650148800.db2.gz ZRZQKEUFWYNYCS-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911056916 650148803 /nfs/dbraw/zinc/14/88/03/650148803.db2.gz ZRZQKEUFWYNYCS-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCCC12CCOCC2 ZINC000911074118 650149036 /nfs/dbraw/zinc/14/90/36/650149036.db2.gz ZPAIOLBJJLGDGJ-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911093219 650150511 /nfs/dbraw/zinc/15/05/11/650150511.db2.gz XALFZHJJHMCNHL-HNNXBMFYSA-N 1 3 339.484 -0.756 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911093219 650150514 /nfs/dbraw/zinc/15/05/14/650150514.db2.gz XALFZHJJHMCNHL-HNNXBMFYSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147716 650154369 /nfs/dbraw/zinc/15/43/69/650154369.db2.gz SCRSBEQMBPBNOF-DOMZBBRYSA-N 1 3 337.468 -0.875 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911160562 650155604 /nfs/dbraw/zinc/15/56/04/650155604.db2.gz FBBOEAOGTHTIMP-MRXNPFEDSA-N 1 3 326.441 -0.853 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911161255 650155848 /nfs/dbraw/zinc/15/58/48/650155848.db2.gz JOTJEHMNJNSENA-XJKSGUPXSA-N 1 3 326.441 -0.853 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCSC1 ZINC000911200129 650159036 /nfs/dbraw/zinc/15/90/36/650159036.db2.gz QBMREAJDFWNNPO-FUTJPDQTSA-N 1 3 326.466 -0.451 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911163844 650156005 /nfs/dbraw/zinc/15/60/05/650156005.db2.gz ZWQSQHYIGGGNJU-CJNGLKHVSA-N 1 3 326.441 -0.711 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCNCCNCC2)CCCCC1 ZINC000911267610 650164616 /nfs/dbraw/zinc/16/46/16/650164616.db2.gz LWTNYTHJFHSNIM-UHFFFAOYSA-N 1 3 339.484 -0.612 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911269335 650164625 /nfs/dbraw/zinc/16/46/25/650164625.db2.gz JHKVYWTWIHXXBU-GJZGRUSLSA-N 1 3 339.484 -0.674 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C[NH+](C)C ZINC000911298820 650167797 /nfs/dbraw/zinc/16/77/97/650167797.db2.gz XGJMGZXRTHPCOH-YNEHKIRRSA-N 1 3 344.456 -0.702 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000911310784 650169691 /nfs/dbraw/zinc/16/96/91/650169691.db2.gz NKBFMYYFIQBRQE-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO CC1(C)CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC000911336404 650172381 /nfs/dbraw/zinc/17/23/81/650172381.db2.gz IFQDBSQFMCAZHX-KGLIPLIRSA-N 1 3 338.452 -0.448 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911384017 650177774 /nfs/dbraw/zinc/17/77/74/650177774.db2.gz FMTPVKAQPKBFNT-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911410403 650179422 /nfs/dbraw/zinc/17/94/22/650179422.db2.gz ABDVDPBXXVYBRI-UHFFFAOYSA-N 1 3 325.457 -0.922 20 0 EBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000911413748 650179969 /nfs/dbraw/zinc/17/99/69/650179969.db2.gz IQTWZKZSWQSYHY-HNNXBMFYSA-N 1 3 337.468 -0.778 20 0 EBADHO CN(C[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375786 650339000 /nfs/dbraw/zinc/33/90/00/650339000.db2.gz FCURJYISKJWJLE-ZIAGYGMSSA-N 1 3 331.482 -0.032 20 0 EBADHO COC(=O)CCN1CC[C@@H](N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923447686 650340978 /nfs/dbraw/zinc/34/09/78/650340978.db2.gz VZNWOCQOYFICIU-UONOGXRCSA-N 1 3 339.436 -0.020 20 0 EBADHO C[NH+](C)CCOc1cccc(CNS(=O)(=O)N2CCNCC2)c1 ZINC000923591079 650345452 /nfs/dbraw/zinc/34/54/52/650345452.db2.gz MTEVRDRCYOTBKY-UHFFFAOYSA-N 1 3 342.465 -0.133 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926292521 650385221 /nfs/dbraw/zinc/38/52/21/650385221.db2.gz BRLNFGHBBOXJLX-MRXNPFEDSA-N 1 3 328.457 -0.655 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926292460 650385236 /nfs/dbraw/zinc/38/52/36/650385236.db2.gz BRLNFGHBBOXJLX-INIZCTEOSA-N 1 3 328.457 -0.655 20 0 EBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@H](C)C1 ZINC000926347933 650387910 /nfs/dbraw/zinc/38/79/10/650387910.db2.gz PABOELSQPNPCDL-CABCVRRESA-N 1 3 339.484 -0.804 20 0 EBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@H](C)C1 ZINC000926347933 650387912 /nfs/dbraw/zinc/38/79/12/650387912.db2.gz PABOELSQPNPCDL-CABCVRRESA-N 1 3 339.484 -0.804 20 0 EBADHO Cc1cccc(NCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000930149326 651587534 /nfs/dbraw/zinc/58/75/34/651587534.db2.gz NVQOLBBERYSZLM-AWEZNQCLSA-N 1 3 348.451 -0.720 20 0 EBADHO Cc1cccc(NCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000930149326 651587554 /nfs/dbraw/zinc/58/75/54/651587554.db2.gz NVQOLBBERYSZLM-AWEZNQCLSA-N 1 3 348.451 -0.720 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)C[NH+](C)C ZINC000932468371 651682091 /nfs/dbraw/zinc/68/20/91/651682091.db2.gz NIJNDZXJTRGSAP-ILXRZTDVSA-N 1 3 340.468 -0.236 20 0 EBADHO NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592875 653161593 /nfs/dbraw/zinc/16/15/93/653161593.db2.gz ZNBBUMMPHPOVRA-XHSDSOJGSA-N 1 3 334.464 -0.016 20 0 EBADHO Cn1cc(CCN2C[C@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592959 722397748 /nfs/dbraw/zinc/39/77/48/722397748.db2.gz ZBWYPMNNTVDMPO-HOTGVXAUSA-N 1 3 347.463 -0.533 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000959973044 722779084 /nfs/dbraw/zinc/77/90/84/722779084.db2.gz LJHSGTRMAXDIKP-ZSAUSMIDSA-N 1 3 335.452 -0.602 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC000959973044 722779087 /nfs/dbraw/zinc/77/90/87/722779087.db2.gz LJHSGTRMAXDIKP-ZSAUSMIDSA-N 1 3 335.452 -0.602 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3OCCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000961052979 722890965 /nfs/dbraw/zinc/89/09/65/722890965.db2.gz FIPKRVTXCQOLCY-AEGPPILISA-N 1 3 347.419 -0.658 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3OCCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000961052979 722890967 /nfs/dbraw/zinc/89/09/67/722890967.db2.gz FIPKRVTXCQOLCY-AEGPPILISA-N 1 3 347.419 -0.658 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC1 ZINC000961657201 723053517 /nfs/dbraw/zinc/05/35/17/723053517.db2.gz CEJCNFFGYYMCHX-FICVDOATSA-N 1 3 335.452 -0.600 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019166718 728813768 /nfs/dbraw/zinc/81/37/68/728813768.db2.gz PIODVJUYXYOGJW-BNQMIIOLSA-N 1 3 345.447 -0.063 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019169908 728814856 /nfs/dbraw/zinc/81/48/56/728814856.db2.gz QAMCQZIANAZZSD-GWUWNPHMSA-N 1 3 346.435 -0.668 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CCO1 ZINC001019241711 728835512 /nfs/dbraw/zinc/83/55/12/728835512.db2.gz WLGBERYMBXHUHJ-QLFBSQMISA-N 1 3 338.452 -0.482 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965700404 724376278 /nfs/dbraw/zinc/37/62/78/724376278.db2.gz DVOZTVIPAOFASD-OCCSQVGLSA-N 1 3 347.419 -0.610 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965700404 724376280 /nfs/dbraw/zinc/37/62/80/724376280.db2.gz DVOZTVIPAOFASD-OCCSQVGLSA-N 1 3 347.419 -0.610 20 0 EBADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001019496893 728900912 /nfs/dbraw/zinc/90/09/12/728900912.db2.gz DYAPFYUXHZOOAF-LSDHHAIUSA-N 1 3 348.451 -0.521 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)n1 ZINC000968714787 725108783 /nfs/dbraw/zinc/10/87/83/725108783.db2.gz SPJVHXRXEANUSY-CQSZACIVSA-N 1 3 348.451 -0.519 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC000969074656 725147994 /nfs/dbraw/zinc/14/79/94/725147994.db2.gz MVXRIIXNGMDCML-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000969412876 725178040 /nfs/dbraw/zinc/17/80/40/725178040.db2.gz MEMHISJTASYDCP-CFVMTHIKSA-N 1 3 349.435 -0.710 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000969412876 725178042 /nfs/dbraw/zinc/17/80/42/725178042.db2.gz MEMHISJTASYDCP-CFVMTHIKSA-N 1 3 349.435 -0.710 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544884 725419765 /nfs/dbraw/zinc/41/97/65/725419765.db2.gz FQDHHDQOXILGSO-HZPDHXFCSA-N 1 3 349.479 -0.114 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001051650671 735291912 /nfs/dbraw/zinc/29/19/12/735291912.db2.gz CQVZGDGAVBBWMW-ZIAGYGMSSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735274 725588672 /nfs/dbraw/zinc/58/86/72/725588672.db2.gz LOYMXNLNMCGIQQ-CQSZACIVSA-N 1 3 335.452 -0.360 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895818 725670392 /nfs/dbraw/zinc/67/03/92/725670392.db2.gz UACOIVUHFMYILI-XJKSGUPXSA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993565795 725904485 /nfs/dbraw/zinc/90/44/85/725904485.db2.gz ACZZZRWMSSYPGJ-LSDHHAIUSA-N 1 3 336.436 -0.728 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000993565795 725904487 /nfs/dbraw/zinc/90/44/87/725904487.db2.gz ACZZZRWMSSYPGJ-LSDHHAIUSA-N 1 3 336.436 -0.728 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996821813 726428780 /nfs/dbraw/zinc/42/87/80/726428780.db2.gz JHTFMFSCDOGZQV-PWXAKJEPSA-N 1 3 336.436 -0.696 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000996963651 726433848 /nfs/dbraw/zinc/43/38/48/726433848.db2.gz GMYDTNJPOJAKSM-UKRRQHHQSA-N 1 3 338.452 -0.042 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996845 726434448 /nfs/dbraw/zinc/43/44/48/726434448.db2.gz ADODNVUPVILVJP-JSGCOSHPSA-N 1 3 336.436 -0.286 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000997009042 726434670 /nfs/dbraw/zinc/43/46/70/726434670.db2.gz XLBYFSWTXBTJFL-AWEZNQCLSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)CCO1 ZINC000997043537 726435594 /nfs/dbraw/zinc/43/55/94/726435594.db2.gz ZHOAVFFBGNOWAT-ZDUSSCGKSA-N 1 3 349.435 -0.220 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC000999488963 726520609 /nfs/dbraw/zinc/52/06/09/726520609.db2.gz IBVSONOVBYNMEQ-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO O=C(NCc1cn([C@H]2CCN(CCO)C2)nn1)[C@@H]1C[NH+]2CCC1CC2 ZINC000999986997 726547525 /nfs/dbraw/zinc/54/75/25/726547525.db2.gz MKNCEUNCJBSJAM-JKSUJKDBSA-N 1 3 348.451 -0.525 20 0 EBADHO O=C(NCc1cn([C@H]2CCN(CCO)C2)nn1)C12CCC[NH+]1CCC2 ZINC001000004635 726549545 /nfs/dbraw/zinc/54/95/45/726549545.db2.gz WFBFQVVBJIYRGC-HNNXBMFYSA-N 1 3 348.451 -0.238 20 0 EBADHO COCCN1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000037010 726552248 /nfs/dbraw/zinc/55/22/48/726552248.db2.gz XEIFLXKQKTYBDT-OAHLLOKOSA-N 1 3 348.451 -0.117 20 0 EBADHO COCCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000041412 726552731 /nfs/dbraw/zinc/55/27/31/726552731.db2.gz BQVLGGOTDJVTBY-DZGCQCFKSA-N 1 3 336.440 -0.261 20 0 EBADHO COCCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000041412 726552732 /nfs/dbraw/zinc/55/27/32/726552732.db2.gz BQVLGGOTDJVTBY-DZGCQCFKSA-N 1 3 336.440 -0.261 20 0 EBADHO C[C@H](N[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000572316 726571608 /nfs/dbraw/zinc/57/16/08/726571608.db2.gz NRFHUDCDIHTICI-STQMWFEESA-N 1 3 326.441 -0.448 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)C1 ZINC001002128473 726633579 /nfs/dbraw/zinc/63/35/79/726633579.db2.gz YFOVPUNUEOPWPM-HNNXBMFYSA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)C1 ZINC001002128473 726633580 /nfs/dbraw/zinc/63/35/80/726633580.db2.gz YFOVPUNUEOPWPM-HNNXBMFYSA-N 1 3 337.468 -0.209 20 0 EBADHO O=C(N[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219027 726872657 /nfs/dbraw/zinc/87/26/57/726872657.db2.gz IEOAROKVFMASJO-CVEARBPZSA-N 1 3 347.463 -0.080 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CCO[C@@H](CN[C@H]3CCNC3=O)C2)CC1 ZINC001051857372 735430365 /nfs/dbraw/zinc/43/03/65/735430365.db2.gz GIVASKLZITUCJI-GJZGRUSLSA-N 1 3 338.452 -0.576 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CCO2)n[nH]1 ZINC001051902772 735455492 /nfs/dbraw/zinc/45/54/92/735455492.db2.gz LLJUAMLWBGHZAI-KGLIPLIRSA-N 1 3 336.440 -0.228 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)n[nH]1 ZINC001051902772 735455493 /nfs/dbraw/zinc/45/54/93/735455493.db2.gz LLJUAMLWBGHZAI-KGLIPLIRSA-N 1 3 336.440 -0.228 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051932591 735470740 /nfs/dbraw/zinc/47/07/40/735470740.db2.gz UBBMSMYIOMJLFL-GDBMZVCRSA-N 1 3 335.452 -0.003 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051932591 735470742 /nfs/dbraw/zinc/47/07/42/735470742.db2.gz UBBMSMYIOMJLFL-GDBMZVCRSA-N 1 3 335.452 -0.003 20 0 EBADHO O=C(CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCOCC1 ZINC001019659785 728966997 /nfs/dbraw/zinc/96/69/97/728966997.db2.gz MCGLQMJALZEGSA-AWEZNQCLSA-N 1 3 336.436 -0.869 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020588842 729205534 /nfs/dbraw/zinc/20/55/34/729205534.db2.gz ODJNMHYVZCTYHU-KKUMJFAQSA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588846 729205628 /nfs/dbraw/zinc/20/56/28/729205628.db2.gz OHOOISMYVISCIG-AJNGGQMLSA-N 1 3 343.493 0.000 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020720428 729222911 /nfs/dbraw/zinc/22/29/11/729222911.db2.gz BFZSVVZGRCRRFK-HDJSIYSDSA-N 1 3 346.439 -0.376 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001022598383 729516537 /nfs/dbraw/zinc/51/65/37/729516537.db2.gz YJNYNEOAWZGJFB-MJBXVCDLSA-N 1 3 336.440 -0.339 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715936 729524455 /nfs/dbraw/zinc/52/44/55/729524455.db2.gz OHOOISMYVISCIG-ZQDZILKHSA-N 1 3 343.493 0.000 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001023024872 729580111 /nfs/dbraw/zinc/58/01/11/729580111.db2.gz JUOGVYKWPTVASL-UPJWGTAASA-N 1 3 340.449 -0.068 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001023130963 729615612 /nfs/dbraw/zinc/61/56/12/729615612.db2.gz PMFABBPYIHMMGF-RQJABVFESA-N 1 3 336.436 -0.097 20 0 EBADHO CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001023787607 729798498 /nfs/dbraw/zinc/79/84/98/729798498.db2.gz MSTIRIZOWVVTJA-BPLDGKMQSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001023787607 729798501 /nfs/dbraw/zinc/79/85/01/729798501.db2.gz MSTIRIZOWVVTJA-BPLDGKMQSA-N 1 3 338.452 -0.890 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025975779 730114059 /nfs/dbraw/zinc/11/40/59/730114059.db2.gz RLJHOCGJNAUNIP-ZYMYPMDRSA-N 1 3 348.447 -0.432 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@H+]1C ZINC001025975779 730114060 /nfs/dbraw/zinc/11/40/60/730114060.db2.gz RLJHOCGJNAUNIP-ZYMYPMDRSA-N 1 3 348.447 -0.432 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C1 ZINC001026367333 730140957 /nfs/dbraw/zinc/14/09/57/730140957.db2.gz SUZSRYINSJMBQC-CFVMTHIKSA-N 1 3 346.435 -0.196 20 0 EBADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001026889102 730167271 /nfs/dbraw/zinc/16/72/71/730167271.db2.gz SJJGJGBFSMDEPK-JSGCOSHPSA-N 1 3 336.436 -0.286 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681362 730233766 /nfs/dbraw/zinc/23/37/66/730233766.db2.gz VJGXPMBICHDKTA-GJZGRUSLSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681362 730233768 /nfs/dbraw/zinc/23/37/68/730233768.db2.gz VJGXPMBICHDKTA-GJZGRUSLSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCC(=O)NC1=O ZINC001029887365 730519257 /nfs/dbraw/zinc/51/92/57/730519257.db2.gz BEHARTQWSQZXGH-ZIAGYGMSSA-N 1 3 348.447 -0.332 20 0 EBADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001034958074 731167915 /nfs/dbraw/zinc/16/79/15/731167915.db2.gz YSTFILPCFOOPTA-KGLIPLIRSA-N 1 3 336.436 -0.144 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797136 731878477 /nfs/dbraw/zinc/87/84/77/731878477.db2.gz AXADDCXIRHTUHC-MRXNPFEDSA-N 1 3 328.457 -0.641 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001040798625 731879693 /nfs/dbraw/zinc/87/96/93/731879693.db2.gz SPZIDXRUKGRUSS-MRXNPFEDSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001040799395 731880228 /nfs/dbraw/zinc/88/02/28/731880228.db2.gz ZEKTUKCBBMJJOS-NVXWUHKLSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595282 738634546 /nfs/dbraw/zinc/63/45/46/738634546.db2.gz GXMNQQFYRPTGAS-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061595282 738634547 /nfs/dbraw/zinc/63/45/47/738634547.db2.gz GXMNQQFYRPTGAS-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043043229 732728750 /nfs/dbraw/zinc/72/87/50/732728750.db2.gz FOCRXRXPJBVVDI-AWEZNQCLSA-N 1 3 340.468 -0.500 20 0 EBADHO CN(C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043114783 732763934 /nfs/dbraw/zinc/76/39/34/732763934.db2.gz BJJAWYMDNZHYFA-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001043114783 732763938 /nfs/dbraw/zinc/76/39/38/732763938.db2.gz BJJAWYMDNZHYFA-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115325 732764857 /nfs/dbraw/zinc/76/48/57/732764857.db2.gz GYOVEKKAZCAVIY-UONOGXRCSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043115325 732764858 /nfs/dbraw/zinc/76/48/58/732764858.db2.gz GYOVEKKAZCAVIY-UONOGXRCSA-N 1 3 338.452 -0.888 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001043157833 732794633 /nfs/dbraw/zinc/79/46/33/732794633.db2.gz MBAQURDPIHSVTH-OAHLLOKOSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043429370 732933604 /nfs/dbraw/zinc/93/36/04/732933604.db2.gz AIKRYELVTBWLFV-KGLIPLIRSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043429370 732933605 /nfs/dbraw/zinc/93/36/05/732933605.db2.gz AIKRYELVTBWLFV-KGLIPLIRSA-N 1 3 340.468 -0.786 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043707912 733069211 /nfs/dbraw/zinc/06/92/11/733069211.db2.gz MHARNAVQDQWTFG-UHFFFAOYSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044010840 733244447 /nfs/dbraw/zinc/24/44/47/733244447.db2.gz DQIHQCZMVYHPCD-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044010840 733244452 /nfs/dbraw/zinc/24/44/52/733244452.db2.gz DQIHQCZMVYHPCD-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044011015 733244601 /nfs/dbraw/zinc/24/46/01/733244601.db2.gz HFMRUCISXIATMW-KBPBESRZSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044011015 733244602 /nfs/dbraw/zinc/24/46/02/733244602.db2.gz HFMRUCISXIATMW-KBPBESRZSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044027008 733252233 /nfs/dbraw/zinc/25/22/33/733252233.db2.gz JUSOLVRWYPUVRB-UHFFFAOYSA-N 1 3 338.452 -0.888 20 0 EBADHO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044291279 733360855 /nfs/dbraw/zinc/36/08/55/733360855.db2.gz PLOLODNMCCOASO-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044291279 733360859 /nfs/dbraw/zinc/36/08/59/733360859.db2.gz PLOLODNMCCOASO-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061745168 738735629 /nfs/dbraw/zinc/73/56/29/738735629.db2.gz UDMNENOYDAYGRR-ZDUSSCGKSA-N 1 3 337.424 -0.444 20 0 EBADHO CN(CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001045418955 733691956 /nfs/dbraw/zinc/69/19/56/733691956.db2.gz ZZMSTHFEIUYVKB-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001045713971 733757733 /nfs/dbraw/zinc/75/77/33/733757733.db2.gz UBTGCBNSOHYYRY-AWEZNQCLSA-N 1 3 328.457 -0.786 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045817846 733776625 /nfs/dbraw/zinc/77/66/25/733776625.db2.gz ZCYHSGRUTOKUEP-PLQZLIEUSA-N 1 3 335.448 -0.093 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045817846 733776628 /nfs/dbraw/zinc/77/66/28/733776628.db2.gz ZCYHSGRUTOKUEP-PLQZLIEUSA-N 1 3 335.448 -0.093 20 0 EBADHO CN(C)[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1)C1CC1 ZINC001046035796 733819304 /nfs/dbraw/zinc/81/93/04/733819304.db2.gz SVXKQKRQCZJIFV-SJORKVTESA-N 1 3 338.496 -0.073 20 0 EBADHO CN(C)[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1)C1CC1 ZINC001046035796 733819306 /nfs/dbraw/zinc/81/93/06/733819306.db2.gz SVXKQKRQCZJIFV-SJORKVTESA-N 1 3 338.496 -0.073 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001046037072 733820642 /nfs/dbraw/zinc/82/06/42/733820642.db2.gz LLCUTXYBOVLNSO-CVEARBPZSA-N 1 3 326.485 -0.217 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001046037072 733820645 /nfs/dbraw/zinc/82/06/45/733820645.db2.gz LLCUTXYBOVLNSO-CVEARBPZSA-N 1 3 326.485 -0.217 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046064421 733841437 /nfs/dbraw/zinc/84/14/37/733841437.db2.gz NEQSLELPPFIYJR-MRXNPFEDSA-N 1 3 338.496 -0.071 20 0 EBADHO CC1(C)CCN(CC(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046064421 733841440 /nfs/dbraw/zinc/84/14/40/733841440.db2.gz NEQSLELPPFIYJR-MRXNPFEDSA-N 1 3 338.496 -0.071 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046525754 733954229 /nfs/dbraw/zinc/95/42/29/733954229.db2.gz RFSCUSONADNHOP-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001046525754 733954231 /nfs/dbraw/zinc/95/42/31/733954231.db2.gz RFSCUSONADNHOP-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001046777110 734025240 /nfs/dbraw/zinc/02/52/40/734025240.db2.gz RDJKYLZGHCSBKC-NVXWUHKLSA-N 1 3 347.463 -0.080 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864385 734543552 /nfs/dbraw/zinc/54/35/52/734543552.db2.gz XNDLODNLWXOPQY-XUWVNRHRSA-N 1 3 334.464 -0.053 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864385 734543554 /nfs/dbraw/zinc/54/35/54/734543554.db2.gz XNDLODNLWXOPQY-XUWVNRHRSA-N 1 3 334.464 -0.053 20 0 EBADHO COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943995 734579030 /nfs/dbraw/zinc/57/90/30/734579030.db2.gz MPXAXXCWYAIUJY-SYGRHNPNSA-N 1 3 335.448 -0.114 20 0 EBADHO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943995 734579031 /nfs/dbraw/zinc/57/90/31/734579031.db2.gz MPXAXXCWYAIUJY-SYGRHNPNSA-N 1 3 335.448 -0.114 20 0 EBADHO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944224 734579317 /nfs/dbraw/zinc/57/93/17/734579317.db2.gz RTJDCLHNBQFBMZ-PBLVUWFASA-N 1 3 335.448 -0.379 20 0 EBADHO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944224 734579323 /nfs/dbraw/zinc/57/93/23/734579323.db2.gz RTJDCLHNBQFBMZ-PBLVUWFASA-N 1 3 335.448 -0.379 20 0 EBADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059578 734630693 /nfs/dbraw/zinc/63/06/93/734630693.db2.gz VRPSXSCUPJCOMT-QLFBSQMISA-N 1 3 334.464 -0.003 20 0 EBADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059578 734630694 /nfs/dbraw/zinc/63/06/94/734630694.db2.gz VRPSXSCUPJCOMT-QLFBSQMISA-N 1 3 334.464 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ZINC001057975466 737572631 /nfs/dbraw/zinc/57/26/31/737572631.db2.gz SYGHMBJULLBSEU-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001057975466 737572633 /nfs/dbraw/zinc/57/26/33/737572633.db2.gz SYGHMBJULLBSEU-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC)N(C)C ZINC001057975287 737572639 /nfs/dbraw/zinc/57/26/39/737572639.db2.gz MKSWXZITOAYMAV-CQSZACIVSA-N 1 3 330.473 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC)N(C)C ZINC001057975287 737572641 /nfs/dbraw/zinc/57/26/41/737572641.db2.gz MKSWXZITOAYMAV-CQSZACIVSA-N 1 3 330.473 -0.395 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001057994377 737582438 /nfs/dbraw/zinc/58/24/38/737582438.db2.gz VVQQBNYHYHFHSV-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163616 737687027 /nfs/dbraw/zinc/68/70/27/737687027.db2.gz QIHYNIQPMTWQFX-UHFFFAOYSA-N 1 3 340.468 -0.639 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C ZINC001058236970 737727144 /nfs/dbraw/zinc/72/71/44/737727144.db2.gz NGADQDUKEIZWAN-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058253615 737735628 /nfs/dbraw/zinc/73/56/28/737735628.db2.gz ABXNQVHJVBEMMY-UHFFFAOYSA-N 1 3 330.473 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC ZINC001058253615 737735630 /nfs/dbraw/zinc/73/56/30/737735630.db2.gz ABXNQVHJVBEMMY-UHFFFAOYSA-N 1 3 330.473 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001058253963 737735892 /nfs/dbraw/zinc/73/58/92/737735892.db2.gz PISDFWYPNUPBNI-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058255062 737736693 /nfs/dbraw/zinc/73/66/93/737736693.db2.gz AQZNPSOQXVQHQV-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001058255062 737736695 /nfs/dbraw/zinc/73/66/95/737736695.db2.gz AQZNPSOQXVQHQV-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO CN(C)C1(C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CCC1 ZINC001058712320 737962679 /nfs/dbraw/zinc/96/26/79/737962679.db2.gz SAVUOPYOWUBNQG-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCC[C@H]1C ZINC001058815910 738003361 /nfs/dbraw/zinc/00/33/61/738003361.db2.gz ABRGSRXJRGLIJN-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCC[C@H]1C ZINC001058815910 738003362 /nfs/dbraw/zinc/00/33/62/738003362.db2.gz ABRGSRXJRGLIJN-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CN(C)C(C)C ZINC001058817193 738004145 /nfs/dbraw/zinc/00/41/45/738004145.db2.gz ANXUVDOUVDNMJY-UHFFFAOYSA-N 1 3 330.473 -0.395 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CN(C)C(C)C ZINC001058817193 738004147 /nfs/dbraw/zinc/00/41/47/738004147.db2.gz ANXUVDOUVDNMJY-UHFFFAOYSA-N 1 3 330.473 -0.395 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058844068 738023280 /nfs/dbraw/zinc/02/32/80/738023280.db2.gz SEGOPUHRIJTOBH-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058849363 738031705 /nfs/dbraw/zinc/03/17/05/738031705.db2.gz SMUAVQKPVUWLEG-HUUCEWRRSA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001058849363 738031707 /nfs/dbraw/zinc/03/17/07/738031707.db2.gz SMUAVQKPVUWLEG-HUUCEWRRSA-N 1 3 342.484 -0.539 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1 ZINC001058948203 738087834 /nfs/dbraw/zinc/08/78/34/738087834.db2.gz OHNJGSWQEKRVMW-CYBMUJFWSA-N 1 3 337.424 -0.769 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)C1 ZINC001058948203 738087837 /nfs/dbraw/zinc/08/78/37/738087837.db2.gz OHNJGSWQEKRVMW-CYBMUJFWSA-N 1 3 337.424 -0.769 20 0 EBADHO CCN(CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065177473 739581407 /nfs/dbraw/zinc/58/14/07/739581407.db2.gz GEWJGVLIZILJCM-HUUCEWRRSA-N 1 3 340.468 -0.377 20 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740384565 /nfs/dbraw/zinc/38/45/65/740384565.db2.gz LFZDAUILKVFPRK-CQSZACIVSA-N 1 3 349.435 -0.220 20 0 EBADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)N(C)C ZINC001071086130 741058105 /nfs/dbraw/zinc/05/81/05/741058105.db2.gz QKMQIMFIXOJCDZ-YCPHGPKFSA-N 1 3 340.468 -0.202 20 0 EBADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433211 741398772 /nfs/dbraw/zinc/39/87/72/741398772.db2.gz SSJNKRHNUWTYCN-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072477871 741411049 /nfs/dbraw/zinc/41/10/49/741411049.db2.gz CKCWCHSAPSSCKW-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C)N(C)C ZINC001077494351 743017096 /nfs/dbraw/zinc/01/70/96/743017096.db2.gz KTSYGQIUXNRTHX-UONOGXRCSA-N 1 3 330.473 -0.084 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)NC(=O)COCC[NH+](C)C ZINC001078472996 743665313 /nfs/dbraw/zinc/66/53/13/743665313.db2.gz NAGCSSGQDUGEOS-GJZGRUSLSA-N 1 3 342.484 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CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214755039 810275193 /nfs/dbraw/zinc/27/51/93/810275193.db2.gz PGAKGRIWPFPWPB-GRYCIOLGSA-N 1 3 345.419 -0.702 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421567 810327241 /nfs/dbraw/zinc/32/72/41/810327241.db2.gz GPQZLBJTZBWQHG-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001215571640 810336263 /nfs/dbraw/zinc/33/62/63/810336263.db2.gz QHAPKJAPMZDWHO-UTUOFQBUSA-N 1 3 327.429 -0.781 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001216510838 810375224 /nfs/dbraw/zinc/37/52/24/810375224.db2.gz ABZSNNKUGXORRE-ZIAGYGMSSA-N 1 3 325.457 -0.210 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853902 810396381 /nfs/dbraw/zinc/39/63/81/810396381.db2.gz OGEYMOZCWIOFTN-JHJVBQTASA-N 1 3 341.456 -0.393 20 0 EBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218082990 810477269 /nfs/dbraw/zinc/47/72/69/810477269.db2.gz UELTYQGSRXNWSY-VWPFQQQWSA-N 1 3 349.431 -0.037 20 0 EBADHO O=C(Nc1ncnc2c1ncn2[C@H]1CCCO1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218644960 810515207 /nfs/dbraw/zinc/51/52/07/810515207.db2.gz ZCPRXKZJFNFSNI-WDEREUQCSA-N 1 3 343.391 -0.117 20 0 EBADHO CN[C@H](C(=O)Nc1cc2c(cc1OC)[C@@]1(CC[NH2+]C1)C(=O)N2)[C@@H](C)O ZINC001219501250 810723510 /nfs/dbraw/zinc/72/35/10/810723510.db2.gz SDZCMZJFKCDHDJ-ZVTRXGDXSA-N 1 3 348.403 -0.214 20 0 EBADHO CN[C@H](C(=O)Nc1cc2c(cc1OC)[C@]1(CC[NH2+]C1)C(=O)N2)[C@@H](C)O ZINC001219501249 810724110 /nfs/dbraw/zinc/72/41/10/810724110.db2.gz SDZCMZJFKCDHDJ-PWVDTXNTSA-N 1 3 348.403 -0.214 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)COC1(C)C ZINC001219650694 810786232 /nfs/dbraw/zinc/78/62/32/810786232.db2.gz PSCNVTFXVPPOMI-RVMXOQNASA-N 1 3 326.441 -0.341 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788952 810841235 /nfs/dbraw/zinc/84/12/35/810841235.db2.gz TZDVNEHQJJFPFJ-JSGCOSHPSA-N 1 3 336.440 -0.510 20 0 EBADHO CN1C[C@H](C(=O)NCc2noc3c2CNCC3)OC2(CC[NH2+]CC2)C1 ZINC001219808959 810853789 /nfs/dbraw/zinc/85/37/89/810853789.db2.gz AMKMWROSKZAQCU-OAHLLOKOSA-N 1 3 349.435 -0.611 20 0 EBADHO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1CCNC2 ZINC001219843700 810875075 /nfs/dbraw/zinc/87/50/75/810875075.db2.gz BIUHUYBSHZWLBO-MEDUHNTESA-N 1 3 335.408 -0.820 20 0 EBADHO O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@H]1C[NH2+]CC12CNC2 ZINC001219901105 810901177 /nfs/dbraw/zinc/90/11/77/810901177.db2.gz CWKMNPAIJXCKQB-JKDFXYPNSA-N 1 3 330.388 -0.581 20 0 EBADHO N[C@H](C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)C1CC[NH2+]CC1 ZINC001219901450 810901422 /nfs/dbraw/zinc/90/14/22/810901422.db2.gz JYWBVYWTSGSFQK-JDFRZJQESA-N 1 3 332.404 -0.063 20 0 EBADHO Cc1nonc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219948536 810921465 /nfs/dbraw/zinc/92/14/65/810921465.db2.gz XTZUJTMXFZAEFU-AAEUAGOBSA-N 1 3 338.412 -0.558 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CN1 ZINC001219965055 810928743 /nfs/dbraw/zinc/92/87/43/810928743.db2.gz ASRXZHJTMZJCMW-NFAWXSAZSA-N 1 3 338.452 -0.530 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CN1 ZINC001219965047 810928947 /nfs/dbraw/zinc/92/89/47/810928947.db2.gz ASRXZHJTMZJCMW-GUTXKFCHSA-N 1 3 338.452 -0.530 20 0 EBADHO COC(=O)C1(NC(=O)[C@H]2CC[C@]3(C2)CNCCO3)CC[NH2+]CC1 ZINC001220001118 810941226 /nfs/dbraw/zinc/94/12/26/810941226.db2.gz HZQSTLSNGUABGB-WFASDCNBSA-N 1 3 325.409 -0.444 20 0 EBADHO CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)o1 ZINC001220011174 810946925 /nfs/dbraw/zinc/94/69/25/810946925.db2.gz RKOMKFPSSOADCJ-JTQLQIEISA-N 1 3 337.380 -0.263 20 0 EBADHO CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)o1 ZINC001220011174 810946928 /nfs/dbraw/zinc/94/69/28/810946928.db2.gz RKOMKFPSSOADCJ-JTQLQIEISA-N 1 3 337.380 -0.263 20 0 EBADHO N=c1sc2c(n1C(=O)CN1CCCC[C@H](N)C1=O)CC[C@H]([NH3+])C2 ZINC001220022444 810951472 /nfs/dbraw/zinc/95/14/72/810951472.db2.gz HJHYWVLGPNXCRD-UWVGGRQHSA-N 1 3 337.449 -0.175 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220098898 810980195 /nfs/dbraw/zinc/98/01/95/810980195.db2.gz ADFXQERIQCAMFN-CRWXNKLISA-N 1 3 326.441 -0.537 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313441 811051719 /nfs/dbraw/zinc/05/17/19/811051719.db2.gz PZMGDIFYVSGPGW-NHYWBVRUSA-N 1 3 336.440 -0.518 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)OC(C)(C)C ZINC001220378580 811080699 /nfs/dbraw/zinc/08/06/99/811080699.db2.gz BURVIAOLVYCBKJ-QWRGUYRKSA-N 1 3 331.413 -0.168 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)OC(C)(C)C ZINC001220379102 811081674 /nfs/dbraw/zinc/08/16/74/811081674.db2.gz LVPJWKMDMGSLIO-AAEUAGOBSA-N 1 3 343.424 -0.297 20 0 EBADHO O=C(NC[C@H]1COCCN1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220431914 811106071 /nfs/dbraw/zinc/10/60/71/811106071.db2.gz SRZHHRIPNHVPCT-IRXDYDNUSA-N 1 3 344.459 -0.187 20 0 EBADHO CC1(C)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1O ZINC001220766060 811233370 /nfs/dbraw/zinc/23/33/70/811233370.db2.gz KZYGKTPPBRSVMR-FQUUOJAGSA-N 1 3 340.468 -0.291 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801511 811246453 /nfs/dbraw/zinc/24/64/53/811246453.db2.gz ZYEYUFMLEBWOKD-XHNCKOQMSA-N 1 3 325.335 -0.581 20 0 EBADHO CCN(CC)C(=O)N1CCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001220911509 811292214 /nfs/dbraw/zinc/29/22/14/811292214.db2.gz QJCUAJYYNRJPMA-CQSZACIVSA-N 1 3 337.468 -0.162 20 0 EBADHO N[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1)C1CC[NH2+]CC1 ZINC001220921094 811294110 /nfs/dbraw/zinc/29/41/10/811294110.db2.gz ZPFGQGUSRROFLF-CABCVRRESA-N 1 3 331.420 -0.261 20 0 EBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220960934 811314026 /nfs/dbraw/zinc/31/40/26/811314026.db2.gz XTJATECYGNEGEN-NFFDBFGFSA-N 1 3 325.409 -0.730 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220970831 811317113 /nfs/dbraw/zinc/31/71/13/811317113.db2.gz JCJYDKBZWXGXED-HUUCEWRRSA-N 1 3 346.431 -0.797 20 0 EBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001220971069 811317890 /nfs/dbraw/zinc/31/78/90/811317890.db2.gz SEHJJZPACBCLGA-GJZGRUSLSA-N 1 3 345.447 -0.831 20 0 EBADHO O=C(NCc1cccc(N2CCOCC2=O)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220990729 811331015 /nfs/dbraw/zinc/33/10/15/811331015.db2.gz WSWGRGQWFCPGCR-HNNXBMFYSA-N 1 3 344.415 -0.525 20 0 EBADHO COC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1CC1 ZINC001221012758 811345119 /nfs/dbraw/zinc/34/51/19/811345119.db2.gz AWBVHGRUOUXHMA-KKUMJFAQSA-N 1 3 340.468 -0.025 20 0 EBADHO NC1=CC=C(C2CCN(C(=O)CN3CCCC[C@H](N)C3=O)CC2)[NH2+]C1 ZINC001221390562 811448865 /nfs/dbraw/zinc/44/88/65/811448865.db2.gz FNJFIGZMDWVYBL-HNNXBMFYSA-N 1 3 347.463 -0.106 20 0 EBADHO Cn1ncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(Br)c1=O ZINC001221401945 811451193 /nfs/dbraw/zinc/45/11/93/811451193.db2.gz RRORQNPPQBCRFV-ZETCQYMHSA-N 1 3 342.197 -0.710 20 0 EBADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772748 811531838 /nfs/dbraw/zinc/53/18/38/811531838.db2.gz LFBRCRXDRSZJDM-QLFBSQMISA-N 1 3 325.453 -0.132 20 0 EBADHO C[NH+](C)CCC(=O)NCC1CCN(CCN2C(=O)CCC2=O)CC1 ZINC001224346742 811758954 /nfs/dbraw/zinc/75/89/54/811758954.db2.gz QNNUZMUAIIDQHL-UHFFFAOYSA-N 1 3 338.452 -0.085 20 0 EBADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)COCC[NH+](C)C)C1 ZINC001080138874 811913421 /nfs/dbraw/zinc/91/34/21/811913421.db2.gz RSXLCCPPKXUNSS-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001238878529 812534553 /nfs/dbraw/zinc/53/45/53/812534553.db2.gz HOZGGOXFGUYHBR-UHFFFAOYSA-N 1 3 326.422 -0.212 20 0 EBADHO CN1c2ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc2CC1=O ZINC001238878744 812534840 /nfs/dbraw/zinc/53/48/40/812534840.db2.gz LCQRHFRJQSTMSS-UHFFFAOYSA-N 1 3 340.449 -0.188 20 0 EBADHO NCCS(=O)(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239140158 812549458 /nfs/dbraw/zinc/54/94/58/812549458.db2.gz BQFKSLKKVWZRNR-UHFFFAOYSA-N 1 3 348.513 -0.701 20 0 EBADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC2(C1)CNCCO2 ZINC001246027037 812559907 /nfs/dbraw/zinc/55/99/07/812559907.db2.gz XJBWIGIIYGUADG-LSDHHAIUSA-N 1 3 327.375 -0.130 20 0 EBADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C[C@H]1C(=O)OC ZINC001246083239 812563241 /nfs/dbraw/zinc/56/32/41/812563241.db2.gz NUCFQGIADKSXSL-SUNOKAMTSA-N 1 3 346.399 -0.231 20 0 EBADHO c1cnc(N2CCN(C3CN([C@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246550722 812574961 /nfs/dbraw/zinc/57/49/61/812574961.db2.gz OPDBCESRXGXFKH-HNNXBMFYSA-N 1 3 343.479 -0.623 20 0 EBADHO O=C([C@@H]1C[C@@H](N2CCC[C@@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647057 812577889 /nfs/dbraw/zinc/57/78/89/812577889.db2.gz GRRMYARDZVATGC-IJEWVQPXSA-N 1 3 340.493 -0.296 20 0 EBADHO c1ccc(N2CCN(C3CN([C@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246861552 812591507 /nfs/dbraw/zinc/59/15/07/812591507.db2.gz ZBRGPAAFPVPKRU-INIZCTEOSA-N 1 3 342.491 -0.018 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC12CC[NH2+]CC2)O3 ZINC001247010068 812596021 /nfs/dbraw/zinc/59/60/21/812596021.db2.gz MNYYVJUIVRMIKX-CXTNEJHOSA-N 1 3 327.450 -0.337 20 0 EBADHO O=C1NC[C@@H](c2nc(-c3ccc4c(n3)CCNC4)no2)[C@@]12CC[NH2+]C2 ZINC001247648225 812603863 /nfs/dbraw/zinc/60/38/63/812603863.db2.gz DBKAXCLRSZMAKK-GTNSWQLSSA-N 1 3 340.387 -0.030 20 0 EBADHO CN1CC[NH+](C2CCN(C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC001251015581 812614870 /nfs/dbraw/zinc/61/48/70/812614870.db2.gz MDFCZTBVDNEDFU-KRWDZBQOSA-N 1 3 326.485 -0.609 20 0 EBADHO C[NH+]1CCC(CN2CCN(C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC001251022067 812617305 /nfs/dbraw/zinc/61/73/05/812617305.db2.gz AXUJGVMTJGSTMT-GOSISDBHSA-N 1 3 340.512 -0.361 20 0 EBADHO COC(=O)[C@@H](O)CN1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252415042 812650139 /nfs/dbraw/zinc/65/01/39/812650139.db2.gz OFJGRMKOYQRWSA-HNNXBMFYSA-N 1 3 337.420 -0.656 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNC(N)=O)CC2)CC1 ZINC001262128523 813037914 /nfs/dbraw/zinc/03/79/14/813037914.db2.gz CIVBOVNKZMBKPG-UHFFFAOYSA-N 1 3 325.457 -0.033 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081554074 813169957 /nfs/dbraw/zinc/16/99/57/813169957.db2.gz REAGWNVXNKTRFA-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCN(C)C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001266827301 813679189 /nfs/dbraw/zinc/67/91/89/813679189.db2.gz RDYUWYOEHISCFQ-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266960013 813711383 /nfs/dbraw/zinc/71/13/83/813711383.db2.gz AUWLTIATKFZATI-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001267018601 813736113 /nfs/dbraw/zinc/73/61/13/813736113.db2.gz FARFWTRALYEMHM-HOCLYGCPSA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267372242 813863505 /nfs/dbraw/zinc/86/35/05/813863505.db2.gz JLCQLUOHELCXEW-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267372242 813863513 /nfs/dbraw/zinc/86/35/13/813863513.db2.gz JLCQLUOHELCXEW-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CN(CCNCCN1CCCS1(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469615 813907756 /nfs/dbraw/zinc/90/77/56/813907756.db2.gz NKFAWAUFKMPTPC-ZDUSSCGKSA-N 1 3 332.470 -0.978 20 0 EBADHO CN(CCNCCN1CCCS1(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469615 813907766 /nfs/dbraw/zinc/90/77/66/813907766.db2.gz NKFAWAUFKMPTPC-ZDUSSCGKSA-N 1 3 332.470 -0.978 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267474324 813911472 /nfs/dbraw/zinc/91/14/72/813911472.db2.gz PTJLZFPDJVCJQC-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001267969594 814079444 /nfs/dbraw/zinc/07/94/44/814079444.db2.gz HKKDSJJQKSHPCU-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152344 814135805 /nfs/dbraw/zinc/13/58/05/814135805.db2.gz XHKBYSVFBXSJPZ-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270418974 815772113 /nfs/dbraw/zinc/77/21/13/815772113.db2.gz FBEGZHMTRGFJMC-ZDUSSCGKSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517609 815804262 /nfs/dbraw/zinc/80/42/62/815804262.db2.gz RTYIVROAUYGDLT-UONOGXRCSA-N 1 3 325.457 -0.305 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085093247 816021452 /nfs/dbraw/zinc/02/14/52/816021452.db2.gz OQRDWPGMFZUQKF-PMPSAXMXSA-N 1 3 349.479 -0.114 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085093247 816021459 /nfs/dbraw/zinc/02/14/59/816021459.db2.gz OQRDWPGMFZUQKF-PMPSAXMXSA-N 1 3 349.479 -0.114 20 0 EBADHO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271529340 816134369 /nfs/dbraw/zinc/13/43/69/816134369.db2.gz DYTYUAAXLBFIBQ-VXGBXAGGSA-N 1 3 343.453 -0.672 20 0 EBADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150927 816249363 /nfs/dbraw/zinc/24/93/63/816249363.db2.gz GZANVVRYXUFKOP-ZACYNQELSA-N 1 3 336.436 -0.792 20 0 EBADHO C[NH+]1CCC(C(=O)N(CCO)CCNCC(=O)NC2CC2)CC1 ZINC001272251889 816372132 /nfs/dbraw/zinc/37/21/32/816372132.db2.gz MTGPARAEQAWYHL-UHFFFAOYSA-N 1 3 326.441 -0.983 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001087256693 816485192 /nfs/dbraw/zinc/48/51/92/816485192.db2.gz GBVYVBCUMZGPQS-CHWSQXEVSA-N 1 3 335.408 -0.229 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001087256693 816485199 /nfs/dbraw/zinc/48/51/99/816485199.db2.gz GBVYVBCUMZGPQS-CHWSQXEVSA-N 1 3 335.408 -0.229 20 0 EBADHO C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001273018298 816567813 /nfs/dbraw/zinc/56/78/13/816567813.db2.gz ISAQLYCHYHHIRA-UONOGXRCSA-N 1 3 338.452 -0.038 20 0 EBADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001273268601 816625405 /nfs/dbraw/zinc/62/54/05/816625405.db2.gz RPVSLLCRLYNENW-HNNXBMFYSA-N 1 3 336.440 -0.421 20 0 EBADHO CN(CC(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001273268603 816625802 /nfs/dbraw/zinc/62/58/02/816625802.db2.gz RPVSLLCRLYNENW-OAHLLOKOSA-N 1 3 336.440 -0.421 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC001274572856 817017162 /nfs/dbraw/zinc/01/71/62/817017162.db2.gz OXBAOBYVRJVBGS-CQSZACIVSA-N 1 3 340.468 -0.450 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C\CNCc1cnnn1C ZINC001274578456 817021247 /nfs/dbraw/zinc/02/12/47/817021247.db2.gz IEPNGTLCTMBIFQ-VQTKUKTRSA-N 1 3 336.440 -0.455 20 0 EBADHO Cn1ncnc1C(=O)N1CCO[C@H]2CN(CC3CC[NH2+]CC3)C[C@@H]21 ZINC001276709225 817457279 /nfs/dbraw/zinc/45/72/79/817457279.db2.gz HZBWHMQTXDGUFT-KBPBESRZSA-N 1 3 334.424 -0.660 20 0 EBADHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCC(=O)NC1=O ZINC001277994926 817670884 /nfs/dbraw/zinc/67/08/84/817670884.db2.gz KYTGEQNURWXOQW-STQMWFEESA-N 1 3 326.441 -0.040 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCC(=O)NC1=O ZINC001277994926 817670887 /nfs/dbraw/zinc/67/08/87/817670887.db2.gz KYTGEQNURWXOQW-STQMWFEESA-N 1 3 326.441 -0.040 20 0 EBADHO CN(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccnc1=O ZINC001278048351 817686580 /nfs/dbraw/zinc/68/65/80/817686580.db2.gz MRFHTZAOCBJRJK-GJZGRUSLSA-N 1 3 333.436 -0.130 20 0 EBADHO CN(C)CCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccnc1=O ZINC001278048351 817686585 /nfs/dbraw/zinc/68/65/85/817686585.db2.gz MRFHTZAOCBJRJK-GJZGRUSLSA-N 1 3 333.436 -0.130 20 0 EBADHO CN1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)C1 ZINC001278145300 817709439 /nfs/dbraw/zinc/70/94/39/817709439.db2.gz BALRHYZIXLPDGG-IIAWOOMASA-N 1 3 343.493 -0.189 20 0 EBADHO CN1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)C1 ZINC001278145300 817709440 /nfs/dbraw/zinc/70/94/40/817709440.db2.gz BALRHYZIXLPDGG-IIAWOOMASA-N 1 3 343.493 -0.189 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001278424364 817760219 /nfs/dbraw/zinc/76/02/19/817760219.db2.gz QEAWXDUHSHPXJS-CHWSQXEVSA-N 1 3 334.486 -0.545 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCOCCN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001279409382 817927059 /nfs/dbraw/zinc/92/70/59/817927059.db2.gz VVFFNIWFMIDDOM-MCIONIFRSA-N 1 3 326.441 -0.720 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCOCCN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001279409382 817927064 /nfs/dbraw/zinc/92/70/64/817927064.db2.gz VVFFNIWFMIDDOM-MCIONIFRSA-N 1 3 326.441 -0.720 20 0 EBADHO CN(CCOCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001279430197 817930692 /nfs/dbraw/zinc/93/06/92/817930692.db2.gz XDWXQTJVCXBDMM-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999600 818010465 /nfs/dbraw/zinc/01/04/65/818010465.db2.gz NXGAQGZBPWRWDM-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004984 819060136 /nfs/dbraw/zinc/06/01/36/819060136.db2.gz UUSXRUBWQOYKHE-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)CCOCCO)CC1)N(C)C ZINC001098404388 819172710 /nfs/dbraw/zinc/17/27/10/819172710.db2.gz KUMWNOJFUHCDTB-MRXNPFEDSA-N 1 3 345.484 -0.379 20 0 EBADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)CCOCCO)CC1)N(C)C ZINC001098404388 819172715 /nfs/dbraw/zinc/17/27/15/819172715.db2.gz KUMWNOJFUHCDTB-MRXNPFEDSA-N 1 3 345.484 -0.379 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)N(C)C ZINC001284336813 819188619 /nfs/dbraw/zinc/18/86/19/819188619.db2.gz VSAIUEPCTJLWIK-CHWSQXEVSA-N 1 3 348.513 -0.298 20 0 EBADHO CN(CCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899575 819868337 /nfs/dbraw/zinc/86/83/37/819868337.db2.gz VNISVXFIZVBRGG-HZPDHXFCSA-N 1 3 336.436 -0.158 20 0 EBADHO CCOCCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050692 820126103 /nfs/dbraw/zinc/12/61/03/820126103.db2.gz LOGXHRIXPJEUTF-HZPDHXFCSA-N 1 3 343.468 -0.315 20 0 EBADHO CCCCOCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074673 820165645 /nfs/dbraw/zinc/16/56/45/820165645.db2.gz QXFWQWUTSPPYLT-HZPDHXFCSA-N 1 3 345.484 -0.067 20 0 EBADHO CN(CC(=O)NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001100410758 820408496 /nfs/dbraw/zinc/40/84/96/820408496.db2.gz LVGYUKVEHARGHZ-ORHYLEIMSA-N 1 3 336.436 -0.240 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001100443582 820423798 /nfs/dbraw/zinc/42/37/98/820423798.db2.gz OXHGQPRAYDWCBC-WXRRBKDZSA-N 1 3 334.486 -0.640 20 0 EBADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001100522692 820454794 /nfs/dbraw/zinc/45/47/94/820454794.db2.gz BBMAWAJUUUMAHE-DLUQRMLASA-N 1 3 336.436 -0.920 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100678742 820508615 /nfs/dbraw/zinc/50/86/15/820508615.db2.gz VRMCSZJMNFOIAK-UNXYVOJBSA-N 1 3 325.413 -0.993 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2CC(NCCS(C)(=O)=O)C2)C1 ZINC001100873094 820586542 /nfs/dbraw/zinc/58/65/42/820586542.db2.gz URRIOSKBRHPFHZ-HSBZDZAISA-N 1 3 331.482 -0.143 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2CC(NCCS(C)(=O)=O)C2)C1 ZINC001100873094 820586549 /nfs/dbraw/zinc/58/65/49/820586549.db2.gz URRIOSKBRHPFHZ-HSBZDZAISA-N 1 3 331.482 -0.143 20 0 EBADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513578 821135037 /nfs/dbraw/zinc/13/50/37/821135037.db2.gz REOJVFWZGKPZDU-HZSPNIEDSA-N 1 3 328.457 -0.617 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104809352 821548685 /nfs/dbraw/zinc/54/86/85/821548685.db2.gz GDDOOSWSNLGLON-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)CN1CCCC1 ZINC001317662125 822197520 /nfs/dbraw/zinc/19/75/20/822197520.db2.gz UUDDHSXXKCBJIV-UHFFFAOYSA-N 1 3 331.482 -0.045 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001317861316 822227702 /nfs/dbraw/zinc/22/77/02/822227702.db2.gz OFEHXZAZELGNAX-UONOGXRCSA-N 1 3 338.452 -0.086 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001317861316 822227709 /nfs/dbraw/zinc/22/77/09/822227709.db2.gz OFEHXZAZELGNAX-UONOGXRCSA-N 1 3 338.452 -0.086 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106778266 822328985 /nfs/dbraw/zinc/32/89/85/822328985.db2.gz BKSGLEHMSVSNEB-VXGBXAGGSA-N 1 3 327.429 -0.793 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128545188 828473115 /nfs/dbraw/zinc/47/31/15/828473115.db2.gz VRJUVEVINDWJTB-WDEREUQCSA-N 1 3 333.408 -0.784 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128551726 828473664 /nfs/dbraw/zinc/47/36/64/828473664.db2.gz GFFVSXGEUMAMAU-GFCCVEGCSA-N 1 3 330.404 -0.479 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC ZINC001128774144 828524187 /nfs/dbraw/zinc/52/41/87/828524187.db2.gz MUUMMVUTDOPYII-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC ZINC001128774144 828524197 /nfs/dbraw/zinc/52/41/97/828524197.db2.gz MUUMMVUTDOPYII-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329646 828598872 /nfs/dbraw/zinc/59/88/72/828598872.db2.gz YZYQGQUZNADBSW-CQSZACIVSA-N 1 3 348.513 -0.391 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329646 828598875 /nfs/dbraw/zinc/59/88/75/828598875.db2.gz YZYQGQUZNADBSW-CQSZACIVSA-N 1 3 348.513 -0.391 20 0 EBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363562 828604735 /nfs/dbraw/zinc/60/47/35/828604735.db2.gz JTRKGXAMWNLFJD-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363562 828604736 /nfs/dbraw/zinc/60/47/36/828604736.db2.gz JTRKGXAMWNLFJD-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)CCC1 ZINC001129363007 828604769 /nfs/dbraw/zinc/60/47/69/828604769.db2.gz DGTFLZBRLBIXGL-GJZGRUSLSA-N 1 3 343.468 -0.267 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CCC1 ZINC001129363894 828605659 /nfs/dbraw/zinc/60/56/59/828605659.db2.gz MBHLIVUNBUEMGR-AWEZNQCLSA-N 1 3 343.468 -0.267 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129442698 828619877 /nfs/dbraw/zinc/61/98/77/828619877.db2.gz DDMSVYRRGXHZSK-CQSZACIVSA-N 1 3 349.497 -0.516 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129448599 828621190 /nfs/dbraw/zinc/62/11/90/828621190.db2.gz CHRYCBMSBFOQFD-DGCLKSJQSA-N 1 3 341.456 -0.345 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849425 828681729 /nfs/dbraw/zinc/68/17/29/828681729.db2.gz DXIMLBFWVRRPIB-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849425 828681730 /nfs/dbraw/zinc/68/17/30/828681730.db2.gz DXIMLBFWVRRPIB-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001129946998 828698739 /nfs/dbraw/zinc/69/87/39/828698739.db2.gz DUOAWNZAUORTQF-ZDUSSCGKSA-N 1 3 327.429 -0.733 20 0 EBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277530 825044649 /nfs/dbraw/zinc/04/46/49/825044649.db2.gz WNGONYXJBHTOBZ-TUVASFSCSA-N 1 3 329.441 -0.707 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001114413801 826238573 /nfs/dbraw/zinc/23/85/73/826238573.db2.gz GSVVCNSOCWJUAG-RSUWNVLCSA-N 1 3 334.420 -0.678 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001114413801 826238579 /nfs/dbraw/zinc/23/85/79/826238579.db2.gz GSVVCNSOCWJUAG-RSUWNVLCSA-N 1 3 334.420 -0.678 20 0 EBADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933227 833027397 /nfs/dbraw/zinc/02/73/97/833027397.db2.gz DHWXSGAIGSBKLF-GJZGRUSLSA-N 1 3 342.484 -0.084 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001179986610 833031565 /nfs/dbraw/zinc/03/15/65/833031565.db2.gz BCGKGNRZRIKVFR-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001114794260 826342369 /nfs/dbraw/zinc/34/23/69/826342369.db2.gz FLVTWKPGBDGOJH-CBBWQLFWSA-N 1 3 337.468 -0.356 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131590 833045001 /nfs/dbraw/zinc/04/50/01/833045001.db2.gz HNUBLHIAFFZIEM-AGIUHOORSA-N 1 3 339.440 -0.495 20 0 EBADHO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180135829 833045257 /nfs/dbraw/zinc/04/52/57/833045257.db2.gz LBZXDMKSOMYKDN-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180136318 833045266 /nfs/dbraw/zinc/04/52/66/833045266.db2.gz XPCICSUVBWVJIJ-RYUDHWBXSA-N 1 3 325.413 -0.883 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001115080769 826415493 /nfs/dbraw/zinc/41/54/93/826415493.db2.gz DNHZFTASLLJNNR-QLPKVWCKSA-N 1 3 340.468 -0.473 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001115080769 826415494 /nfs/dbraw/zinc/41/54/94/826415494.db2.gz DNHZFTASLLJNNR-QLPKVWCKSA-N 1 3 340.468 -0.473 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226630 833059571 /nfs/dbraw/zinc/05/95/71/833059571.db2.gz DKKHIIPVADDCAM-JYJNAYRXSA-N 1 3 345.484 -0.071 20 0 EBADHO CN1CCN(C[C@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)CC1 ZINC001118149645 826860663 /nfs/dbraw/zinc/86/06/63/826860663.db2.gz LSUJAGLVLFRRFC-QGZVFWFLSA-N 1 3 340.512 -0.171 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118488062 826939832 /nfs/dbraw/zinc/93/98/32/826939832.db2.gz YXOWMAOCZRIVDK-TZMCWYRMSA-N 1 3 326.441 -0.672 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC001119420600 827106821 /nfs/dbraw/zinc/10/68/21/827106821.db2.gz IMKULQLZJDBYKQ-HNNXBMFYSA-N 1 3 337.468 -0.922 20 0 EBADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+](CCC(=O)N(C)C)CC2)C1=O ZINC001119631118 827127235 /nfs/dbraw/zinc/12/72/35/827127235.db2.gz OEZNEIWJXRUKEC-ZDUSSCGKSA-N 1 3 339.440 -0.589 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CC(=O)NC3=O)CC2)CC1 ZINC001119898305 827158543 /nfs/dbraw/zinc/15/85/43/827158543.db2.gz KHKABZSDOSCJJB-LBPRGKRZSA-N 1 3 336.436 -0.286 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001181652901 833170653 /nfs/dbraw/zinc/17/06/53/833170653.db2.gz RKDCPSMVTQGBMY-OLZOCXBDSA-N 1 3 337.424 -0.741 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001182637606 833249956 /nfs/dbraw/zinc/24/99/56/833249956.db2.gz LNJUHLGTNPOXJD-BFQNTYOBSA-N 1 3 341.456 -0.404 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182692577 833252874 /nfs/dbraw/zinc/25/28/74/833252874.db2.gz NPRYXMDFARKSDS-HZSPNIEDSA-N 1 3 346.497 -0.544 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001182692577 833252876 /nfs/dbraw/zinc/25/28/76/833252876.db2.gz NPRYXMDFARKSDS-HZSPNIEDSA-N 1 3 346.497 -0.544 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001124866468 827969943 /nfs/dbraw/zinc/96/99/43/827969943.db2.gz DFLFYRFSPWEEAU-ZYHUDNBSSA-N 1 3 325.413 -0.837 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CCC1 ZINC001183229580 833284132 /nfs/dbraw/zinc/28/41/32/833284132.db2.gz NIXOQCXKKZZOAU-CYBMUJFWSA-N 1 3 346.497 -0.447 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240468 833284667 /nfs/dbraw/zinc/28/46/67/833284667.db2.gz GXABOMGBTVPTGH-VXGBXAGGSA-N 1 3 339.440 -0.495 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267224 833285121 /nfs/dbraw/zinc/28/51/21/833285121.db2.gz JMBSPHULGWWIIB-GDBMZVCRSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647388 833297849 /nfs/dbraw/zinc/29/78/49/833297849.db2.gz GBVWZMUOSYHQPC-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001183940483 833313654 /nfs/dbraw/zinc/31/36/54/833313654.db2.gz XMJRFJGKOUWFFW-VXGBXAGGSA-N 1 3 337.424 -0.611 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473601 828297087 /nfs/dbraw/zinc/29/70/87/828297087.db2.gz AEHMMZQWPQSVCP-AWEZNQCLSA-N 1 3 326.441 -0.813 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127690516 828314781 /nfs/dbraw/zinc/31/47/81/828314781.db2.gz LQDOOMRAGVABAJ-FRRDWIJNSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127690516 828314790 /nfs/dbraw/zinc/31/47/90/828314790.db2.gz LQDOOMRAGVABAJ-FRRDWIJNSA-N 1 3 341.456 -0.343 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127779714 828327112 /nfs/dbraw/zinc/32/71/12/828327112.db2.gz QWZNVESTXBCSAI-HZPDHXFCSA-N 1 3 346.431 -0.146 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779714 828327121 /nfs/dbraw/zinc/32/71/21/828327121.db2.gz QWZNVESTXBCSAI-HZPDHXFCSA-N 1 3 346.431 -0.146 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779269 828327326 /nfs/dbraw/zinc/32/73/26/828327326.db2.gz KKMWJZYIBJNJIS-CABCVRRESA-N 1 3 338.452 -0.576 20 0 EBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779269 828327337 /nfs/dbraw/zinc/32/73/37/828327337.db2.gz KKMWJZYIBJNJIS-CABCVRRESA-N 1 3 338.452 -0.576 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CCC1 ZINC001127780451 828330042 /nfs/dbraw/zinc/33/00/42/828330042.db2.gz ZBBANFASHFJHHE-HUUCEWRRSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)NCC1CCC1 ZINC001127780451 828330052 /nfs/dbraw/zinc/33/00/52/828330052.db2.gz ZBBANFASHFJHHE-HUUCEWRRSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(=O)NC(N)=O ZINC001130558902 828884086 /nfs/dbraw/zinc/88/40/86/828884086.db2.gz UOUVZZKOVQZPBR-NSHDSACASA-N 1 3 336.396 -0.803 20 0 EBADHO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184432986 833329953 /nfs/dbraw/zinc/32/99/53/833329953.db2.gz CMCINZLWZBSFSW-DLOXAQCQSA-N 1 3 336.436 -0.872 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001130709155 828919631 /nfs/dbraw/zinc/91/96/31/828919631.db2.gz VSZDOCFYELPPTK-ZDUSSCGKSA-N 1 3 334.486 -0.638 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001130709155 828919634 /nfs/dbraw/zinc/91/96/34/828919634.db2.gz VSZDOCFYELPPTK-ZDUSSCGKSA-N 1 3 334.486 -0.638 20 0 EBADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CCCO ZINC001130943610 828999942 /nfs/dbraw/zinc/99/99/42/828999942.db2.gz FGRRHMLSDWGQJW-RBSFLKMASA-N 1 3 335.452 -0.219 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248585 833351648 /nfs/dbraw/zinc/35/16/48/833351648.db2.gz HWGGZIHDFSIQEO-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(=O)NC1CC1 ZINC001185401247 833358058 /nfs/dbraw/zinc/35/80/58/833358058.db2.gz NTIIFJDQBTXYTQ-WCQYABFASA-N 1 3 339.440 -0.495 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001185455554 833359423 /nfs/dbraw/zinc/35/94/23/833359423.db2.gz PIRKSRGHICETDB-IJLUTSLNSA-N 1 3 327.429 -0.654 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650117 833365134 /nfs/dbraw/zinc/36/51/34/833365134.db2.gz DDXPHETXXOCXKK-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650117 833365137 /nfs/dbraw/zinc/36/51/37/833365137.db2.gz DDXPHETXXOCXKK-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001185705374 833367611 /nfs/dbraw/zinc/36/76/11/833367611.db2.gz AGVNQQRMBZWCAM-NWDGAFQWSA-N 1 3 341.456 -0.262 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001185716163 833367773 /nfs/dbraw/zinc/36/77/73/833367773.db2.gz QZHCPLBJPFXMAG-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCC[C@H]([NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(N)=O ZINC001131522235 829154347 /nfs/dbraw/zinc/15/43/47/829154347.db2.gz YKCPUNQKFWXOHL-YRTQGLMCSA-N 1 3 338.452 -0.401 20 0 EBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CCN(CCOCCO)C2)O1 ZINC001131682357 829185358 /nfs/dbraw/zinc/18/53/58/829185358.db2.gz NOCTWYLVYKFBGT-DOTOQJQBSA-N 1 3 343.468 -0.361 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790812 829217455 /nfs/dbraw/zinc/21/74/55/829217455.db2.gz WHNNBQWNZSYDFQ-DGCLKSJQSA-N 1 3 339.440 -0.589 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790813 829218030 /nfs/dbraw/zinc/21/80/30/829218030.db2.gz WHNNBQWNZSYDFQ-WCQYABFASA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001186090786 833388464 /nfs/dbraw/zinc/38/84/64/833388464.db2.gz QBBNHDLQNOLIQG-WCQYABFASA-N 1 3 339.440 -0.508 20 0 EBADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)cc1 ZINC001186355587 833398129 /nfs/dbraw/zinc/39/81/29/833398129.db2.gz HXXVSTNTYRHFGA-CQSZACIVSA-N 1 3 347.419 -0.253 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283988 829406095 /nfs/dbraw/zinc/40/60/95/829406095.db2.gz QWVWXMBLQPCUNT-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283895 829406177 /nfs/dbraw/zinc/40/61/77/829406177.db2.gz NKYPSNPGSINYJL-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@@H]([NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2)C(N)=O ZINC001186514355 833404210 /nfs/dbraw/zinc/40/42/10/833404210.db2.gz ZBLXVDBWVSBOGZ-OLZOCXBDSA-N 1 3 349.435 -0.329 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001132886659 829545060 /nfs/dbraw/zinc/54/50/60/829545060.db2.gz QNYVPLVMNRNIIB-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)CC[N@H+]1C ZINC001132886659 829545062 /nfs/dbraw/zinc/54/50/62/829545062.db2.gz QNYVPLVMNRNIIB-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001186732395 833423838 /nfs/dbraw/zinc/42/38/38/833423838.db2.gz VYNBNBZTNFLSOU-CYBMUJFWSA-N 1 3 339.440 -0.508 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC[C@H]2CCOC2)CC1 ZINC001132994855 829569062 /nfs/dbraw/zinc/56/90/62/829569062.db2.gz DXVDJWHNJVZKJR-CYBMUJFWSA-N 1 3 326.441 -0.813 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998279 829570373 /nfs/dbraw/zinc/57/03/73/829570373.db2.gz RHNBXRCVGGPGIF-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998398 829570634 /nfs/dbraw/zinc/57/06/34/829570634.db2.gz SSJWDFYOCHPYGU-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133051255 829577618 /nfs/dbraw/zinc/57/76/18/829577618.db2.gz BPOQXTAWWLQPHN-UHFFFAOYSA-N 1 3 329.445 -0.342 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051781 829578857 /nfs/dbraw/zinc/57/88/57/829578857.db2.gz OIKFEGVREJEEKA-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CCOCC2)C1 ZINC001186807608 833429262 /nfs/dbraw/zinc/42/92/62/833429262.db2.gz BFKMNXRIZVJQIH-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CCOCC2)C1 ZINC001186807608 833429265 /nfs/dbraw/zinc/42/92/65/833429265.db2.gz BFKMNXRIZVJQIH-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186807704 833429387 /nfs/dbraw/zinc/42/93/87/833429387.db2.gz CXJSDPKNJFABMU-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186807704 833429389 /nfs/dbraw/zinc/42/93/89/833429389.db2.gz CXJSDPKNJFABMU-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC1 ZINC001133282048 829614690 /nfs/dbraw/zinc/61/46/90/829614690.db2.gz YPBVYUIOFQNIBN-ZDUSSCGKSA-N 1 3 326.441 -0.813 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CCCC1 ZINC001133297365 829617994 /nfs/dbraw/zinc/61/79/94/829617994.db2.gz LUYNMGLQOXEMDV-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347294 829624985 /nfs/dbraw/zinc/62/49/85/829624985.db2.gz VTVGNZYGMKDYAS-STQMWFEESA-N 1 3 341.456 -0.404 20 0 EBADHO CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC1CC1)[NH+](CC)CC ZINC001133685536 829661798 /nfs/dbraw/zinc/66/17/98/829661798.db2.gz VMRABPWGQCWEKU-CYBMUJFWSA-N 1 3 341.456 -0.199 20 0 EBADHO CC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690099 829662131 /nfs/dbraw/zinc/66/21/31/829662131.db2.gz HWHCJHJXMOVCQW-NEPJUHHUSA-N 1 3 329.445 -0.343 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133819993 829679713 /nfs/dbraw/zinc/67/97/13/829679713.db2.gz URPYOAQYYLAJAS-CYBMUJFWSA-N 1 3 332.470 -0.788 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133824071 829681232 /nfs/dbraw/zinc/68/12/32/829681232.db2.gz XGEWOUQPPMRODZ-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133824071 829681235 /nfs/dbraw/zinc/68/12/35/829681235.db2.gz XGEWOUQPPMRODZ-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133834377 829682053 /nfs/dbraw/zinc/68/20/53/829682053.db2.gz VXBISGXDKHLXFV-CABCVRRESA-N 1 3 343.468 -0.267 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863044 829688472 /nfs/dbraw/zinc/68/84/72/829688472.db2.gz IYIAFZQLUGXWHC-GHMZBOCLSA-N 1 3 338.374 -0.089 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC(F)(F)F ZINC001133863044 829688474 /nfs/dbraw/zinc/68/84/74/829688474.db2.gz IYIAFZQLUGXWHC-GHMZBOCLSA-N 1 3 338.374 -0.089 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133865470 829689095 /nfs/dbraw/zinc/68/90/95/829689095.db2.gz DILUOIFUVYDCBC-QWHCGFSZSA-N 1 3 341.456 -0.484 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865470 829689097 /nfs/dbraw/zinc/68/90/97/829689097.db2.gz DILUOIFUVYDCBC-QWHCGFSZSA-N 1 3 341.456 -0.484 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133864232 829689452 /nfs/dbraw/zinc/68/94/52/829689452.db2.gz XJPXZFPNHNVWEU-QWHCGFSZSA-N 1 3 341.456 -0.628 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133864232 829689454 /nfs/dbraw/zinc/68/94/54/829689454.db2.gz XJPXZFPNHNVWEU-QWHCGFSZSA-N 1 3 341.456 -0.628 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868135 829690344 /nfs/dbraw/zinc/69/03/44/829690344.db2.gz ZPTPWQWLAAECPS-OCCSQVGLSA-N 1 3 326.441 -0.815 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868135 829690353 /nfs/dbraw/zinc/69/03/53/829690353.db2.gz ZPTPWQWLAAECPS-OCCSQVGLSA-N 1 3 326.441 -0.815 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133873191 829691996 /nfs/dbraw/zinc/69/19/96/829691996.db2.gz QEMWBOPXVGBCIK-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)N(C)C ZINC001133968576 829708018 /nfs/dbraw/zinc/70/80/18/829708018.db2.gz ZMILSGZVAWXZAP-RYUDHWBXSA-N 1 3 329.445 -0.345 20 0 EBADHO C[C@H](COCC(=O)NCCNCC(=O)N1CCCC1)[NH+]1CCCC1 ZINC001134021073 829713176 /nfs/dbraw/zinc/71/31/76/829713176.db2.gz QFDVRKUQQQWENR-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020833 829713513 /nfs/dbraw/zinc/71/35/13/829713513.db2.gz IGRZGNMWXMQKIH-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN1CC[C@@H](NCCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1=O ZINC001134021230 829714495 /nfs/dbraw/zinc/71/44/95/829714495.db2.gz VNTZHQOBQIATIC-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)NCCNCC(=O)N2CCCC2)cn1 ZINC001135115165 829900264 /nfs/dbraw/zinc/90/02/64/829900264.db2.gz VKHJTUFLZFGLBO-UHFFFAOYSA-N 1 3 336.440 -0.614 20 0 EBADHO C[NH+](C)Cc1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cc1 ZINC001135334795 829946670 /nfs/dbraw/zinc/94/66/70/829946670.db2.gz VTZPAYKVJGGGDH-AWEZNQCLSA-N 1 3 332.404 -0.127 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337325 829947408 /nfs/dbraw/zinc/94/74/08/829947408.db2.gz ZXGBQXUPKGYCBI-LBPRGKRZSA-N 1 3 349.435 -0.088 20 0 EBADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCC(C)(C)C1 ZINC001135468066 829972258 /nfs/dbraw/zinc/97/22/58/829972258.db2.gz LWHKDCUSQMGSIS-RYUDHWBXSA-N 1 3 341.456 -0.214 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001135513652 829980238 /nfs/dbraw/zinc/98/02/38/829980238.db2.gz SYMXAMJOPJFOAE-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959237 830051552 /nfs/dbraw/zinc/05/15/52/830051552.db2.gz MSUIZSYOCWFUHA-AWEZNQCLSA-N 1 3 342.484 -0.036 20 0 EBADHO CN1CCC[C@@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959336 830051758 /nfs/dbraw/zinc/05/17/58/830051758.db2.gz OSPPJOHOLJZWEJ-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)NC(C)(C)C)CC1 ZINC001135959218 830052301 /nfs/dbraw/zinc/05/23/01/830052301.db2.gz MBGIGPPYPFKBCG-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147822840 830416490 /nfs/dbraw/zinc/41/64/90/830416490.db2.gz BPOFXDPDSKUUAB-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001147885326 830426589 /nfs/dbraw/zinc/42/65/89/830426589.db2.gz LZLUTBJJGLLLSV-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001147885326 830426591 /nfs/dbraw/zinc/42/65/91/830426591.db2.gz LZLUTBJJGLLLSV-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H](COCC(=O)NC[C@@H]1CN(CCO)CCCO1)[NH+]1CCCC1 ZINC001150334343 830866462 /nfs/dbraw/zinc/86/64/62/830866462.db2.gz VCOULKFBIGOSPM-JKSUJKDBSA-N 1 3 343.468 -0.313 20 0 EBADHO CO[C@H](C)CN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590072 830940422 /nfs/dbraw/zinc/94/04/22/830940422.db2.gz YDJGIHOCUIELAJ-CABCVRRESA-N 1 3 331.457 -0.193 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779231 830982378 /nfs/dbraw/zinc/98/23/78/830982378.db2.gz QKTGTRYOSOILKF-HUUCEWRRSA-N 1 3 331.457 -0.459 20 0 EBADHO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779231 830982381 /nfs/dbraw/zinc/98/23/81/830982381.db2.gz QKTGTRYOSOILKF-HUUCEWRRSA-N 1 3 331.457 -0.459 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066330 831019448 /nfs/dbraw/zinc/01/94/48/831019448.db2.gz SSHUFQBRGLWWDK-OLZOCXBDSA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066330 831019458 /nfs/dbraw/zinc/01/94/58/831019458.db2.gz SSHUFQBRGLWWDK-OLZOCXBDSA-N 1 3 341.456 -0.486 20 0 EBADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152147986 831134023 /nfs/dbraw/zinc/13/40/23/831134023.db2.gz NRJGMXJZQYQVAE-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCCN1CCCS1(=O)=O ZINC001152222888 831143631 /nfs/dbraw/zinc/14/36/31/831143631.db2.gz FRUJCMKEGHJHSR-UHFFFAOYSA-N 1 3 346.497 -0.396 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001152347838 831154294 /nfs/dbraw/zinc/15/42/94/831154294.db2.gz IHIYURMQFWEZMS-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO C[NH+](C)Cc1ccccc1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001152394058 831158689 /nfs/dbraw/zinc/15/86/89/831158689.db2.gz ZDIMQMPZZMFURQ-UHFFFAOYSA-N 1 3 348.447 -0.074 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446037 831164256 /nfs/dbraw/zinc/16/42/56/831164256.db2.gz ROTSFXWVTJRUMS-ZDUSSCGKSA-N 1 3 343.472 -0.097 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152470729 831165445 /nfs/dbraw/zinc/16/54/45/831165445.db2.gz GCWHZBZCISXWHF-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001155789917 831430087 /nfs/dbraw/zinc/43/00/87/831430087.db2.gz HRHMPOONJSBFHF-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO N=C(NCCCC[NH3+])Nc1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001157100076 831534360 /nfs/dbraw/zinc/53/43/60/831534360.db2.gz ZCYQYQUJHKHTIZ-UHFFFAOYSA-N 1 3 334.428 -0.408 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H](N)c1ccc(OC)nc1 ZINC001157323075 831554029 /nfs/dbraw/zinc/55/40/29/831554029.db2.gz LGFHMXCEINAOHC-STQMWFEESA-N 1 3 337.424 -0.160 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(N)CCC2(CC1)OCCO2 ZINC001157337520 831555177 /nfs/dbraw/zinc/55/51/77/831555177.db2.gz WZJMIZPVQLUZLC-LBPRGKRZSA-N 1 3 342.440 -0.639 20 0 EBADHO CCNC(=O)CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157679342 831585444 /nfs/dbraw/zinc/58/54/44/831585444.db2.gz STCVHZWYJJSDHK-STQMWFEESA-N 1 3 341.456 -0.972 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715638 831587198 /nfs/dbraw/zinc/58/71/98/831587198.db2.gz HSMKYFXRUXJZDV-KBPBESRZSA-N 1 3 333.436 -0.419 20 0 EBADHO CN[C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)[C@@H](C)OC(C)(C)C ZINC001158091505 831627296 /nfs/dbraw/zinc/62/72/96/831627296.db2.gz DMEIPOOLIHMZNZ-PVXIVEMSSA-N 1 3 326.441 -0.532 20 0 EBADHO O=C(c1csc2c1CCNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120469 831630937 /nfs/dbraw/zinc/63/09/37/831630937.db2.gz PRCRYAYTRZCQHS-KRWDZBQOSA-N 1 3 346.456 -0.055 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(COC2)C1 ZINC001158169138 831635177 /nfs/dbraw/zinc/63/51/77/831635177.db2.gz RRTHGQCQISRHDE-KBPBESRZSA-N 1 3 338.452 -0.317 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319635 831646228 /nfs/dbraw/zinc/64/62/28/831646228.db2.gz KLGMMNXHDLZARP-HUUCEWRRSA-N 1 3 326.400 -0.165 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158326927 831647234 /nfs/dbraw/zinc/64/72/34/831647234.db2.gz ASBJBNZMIJYFFV-RRFJBIMHSA-N 1 3 331.420 -0.140 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001158486586 831658350 /nfs/dbraw/zinc/65/83/50/831658350.db2.gz OSEANZBLEQLZPE-LSDHHAIUSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001158486586 831658354 /nfs/dbraw/zinc/65/83/54/831658354.db2.gz OSEANZBLEQLZPE-LSDHHAIUSA-N 1 3 349.435 -0.056 20 0 EBADHO [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@@H]2CF)CC1 ZINC001158567705 831667079 /nfs/dbraw/zinc/66/70/79/831667079.db2.gz KHVRJZNUVVXQRV-SDDRHHMPSA-N 1 3 345.440 -0.702 20 0 EBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001158790371 831686705 /nfs/dbraw/zinc/68/67/05/831686705.db2.gz LLEMJNYIVHYKQQ-TZMCWYRMSA-N 1 3 336.440 -0.303 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810239 831688516 /nfs/dbraw/zinc/68/85/16/831688516.db2.gz DHVHPWNKHYNROY-GBJTYRQASA-N 1 3 338.452 -0.319 20 0 EBADHO O=C([C@H]1CNCCN1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903257 831694637 /nfs/dbraw/zinc/69/46/37/831694637.db2.gz MWUBIFAMDJWUAM-SUYBPPKGSA-N 1 3 349.410 -0.364 20 0 EBADHO N[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)C1CC[NH2+]CC1 ZINC001158968101 831698611 /nfs/dbraw/zinc/69/86/11/831698611.db2.gz LRMXBUJFTWPKLC-QLFBSQMISA-N 1 3 346.435 -0.781 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159209836 831721352 /nfs/dbraw/zinc/72/13/52/831721352.db2.gz NHPIOGBGXIWGRF-CAOSSQGBSA-N 1 3 334.420 -0.110 20 0 EBADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001159237180 831726489 /nfs/dbraw/zinc/72/64/89/831726489.db2.gz XVBXTBAUSRJAFI-MELADBBJSA-N 1 3 334.424 -0.698 20 0 EBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664418 831770624 /nfs/dbraw/zinc/77/06/24/831770624.db2.gz DPAFOXIHNXYLMZ-QZWWFDLISA-N 1 3 345.447 -0.570 20 0 EBADHO Cn1cc(N2C[C@]3(CCN(C(=O)[C@H](N)CCC[NH3+])C3)CC2=O)cn1 ZINC001159750405 831778647 /nfs/dbraw/zinc/77/86/47/831778647.db2.gz KEEOKLCJGFUWBE-CZUORRHYSA-N 1 3 334.424 -0.558 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)C1CC1 ZINC001159915752 831797257 /nfs/dbraw/zinc/79/72/57/831797257.db2.gz NBJHXEGNAXMDNQ-LBPRGKRZSA-N 1 3 340.453 -0.087 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001159925050 831797803 /nfs/dbraw/zinc/79/78/03/831797803.db2.gz NUCVXHHXBUMMEH-GOEBONIOSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)C1CC1 ZINC001159932830 831799272 /nfs/dbraw/zinc/79/92/72/831799272.db2.gz VZHHLQGPSQUFAN-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)C1CCC1 ZINC001159997084 831803041 /nfs/dbraw/zinc/80/30/41/831803041.db2.gz FJUGUJNQCIDKLL-UHFFFAOYSA-N 1 3 334.424 -0.005 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC001159997097 831803493 /nfs/dbraw/zinc/80/34/93/831803493.db2.gz FSSXDJWIXBJAEV-UHFFFAOYSA-N 1 3 339.440 -0.445 20 0 EBADHO COCCN(C(=O)CN1CCCC[C@H](N)C1=O)C1CC[NH+](C)CC1 ZINC001160441915 831851609 /nfs/dbraw/zinc/85/16/09/831851609.db2.gz ZQXGHXWLMGVQLK-HNNXBMFYSA-N 1 3 340.468 -0.105 20 0 EBADHO CCN(CCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160471118 831853420 /nfs/dbraw/zinc/85/34/20/831853420.db2.gz PDFXPKIDQGSQCW-STQMWFEESA-N 1 3 341.456 -0.842 20 0 EBADHO CN1CCN(C2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2)CC1=O ZINC001160634508 831872305 /nfs/dbraw/zinc/87/23/05/831872305.db2.gz BPAIOVJDHVUEBY-AWEZNQCLSA-N 1 3 325.457 -0.970 20 0 EBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698881 831879135 /nfs/dbraw/zinc/87/91/35/831879135.db2.gz UFFVMZXABIRMPO-HNNXBMFYSA-N 1 3 342.443 -0.015 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CCC4(CNC4)O3)C[C@H]1C2 ZINC001160791778 831887763 /nfs/dbraw/zinc/88/77/63/831887763.db2.gz BUYHBDLWCJTWLC-FWIBFFJGSA-N 1 3 349.431 -0.636 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160882959 831903276 /nfs/dbraw/zinc/90/32/76/831903276.db2.gz CITFMOGFQKVYQI-NWDGAFQWSA-N 1 3 329.445 -0.343 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C ZINC001160889266 831903866 /nfs/dbraw/zinc/90/38/66/831903866.db2.gz GKSGJWCAGBHBKO-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1)N(C)C ZINC001160890250 831904196 /nfs/dbraw/zinc/90/41/96/831904196.db2.gz ZYGZSAGVUPECFY-GDBMZVCRSA-N 1 3 345.484 -0.021 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915950 831906467 /nfs/dbraw/zinc/90/64/67/831906467.db2.gz SGOOVTJNQQQDCN-AAEUAGOBSA-N 1 3 334.424 -0.341 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001161226612 831938947 /nfs/dbraw/zinc/93/89/47/831938947.db2.gz LELYHOUDXBPFKA-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269538 831943288 /nfs/dbraw/zinc/94/32/88/831943288.db2.gz HLLFGGNSEZGMAA-AWEZNQCLSA-N 1 3 346.497 -0.141 20 0 EBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@@H](N)CSCC[NH3+])C2)nc1 ZINC001161298177 831945478 /nfs/dbraw/zinc/94/54/78/831945478.db2.gz HWIZZFIBYJMBSP-PWSUYJOCSA-N 1 3 341.437 -0.516 20 0 EBADHO Cc1cccc(N(C(=O)[C@H]2COC3(CNC3)CN2)C2CC[NH2+]CC2)n1 ZINC001161304045 831946539 /nfs/dbraw/zinc/94/65/39/831946539.db2.gz TVQDKOTWFBEKDE-OAHLLOKOSA-N 1 3 345.447 -0.195 20 0 EBADHO COc1ccnc(OC2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001161367774 831950594 /nfs/dbraw/zinc/95/05/94/831950594.db2.gz TUBFIZUVKJKBHU-CYBMUJFWSA-N 1 3 347.419 -0.336 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1CCOCC1)CC2 ZINC001161476566 831962221 /nfs/dbraw/zinc/96/22/21/831962221.db2.gz DNQHOCFQQXHASV-WWGRRREGSA-N 1 3 325.409 -0.506 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1CCC(O)CC1)CC2 ZINC001161481957 831964202 /nfs/dbraw/zinc/96/42/02/831964202.db2.gz UPXGAVNBKDYVCR-PSGLBKBZSA-N 1 3 339.436 -0.382 20 0 EBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001161601932 831977398 /nfs/dbraw/zinc/97/73/98/831977398.db2.gz PNKLQVSCDYQHQK-PIGZYNQJSA-N 1 3 347.419 -0.362 20 0 EBADHO CC1([NH3+])CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001350346288 832158827 /nfs/dbraw/zinc/15/88/27/832158827.db2.gz RUZQUMGFJCNXKJ-CQSZACIVSA-N 1 3 338.452 -0.304 20 0 EBADHO CN(c1ccccc1C(=O)NC1CC[NH2+]CC1)S(=O)(=O)CCN ZINC001164299970 832182917 /nfs/dbraw/zinc/18/29/17/832182917.db2.gz FEKJQSJIEBSRAK-UHFFFAOYSA-N 1 3 340.449 -0.107 20 0 EBADHO COC(=O)[C@@H](C[NH3+])Cc1ccc(N(C)S(=O)(=O)CCN)cc1 ZINC001164300552 832182986 /nfs/dbraw/zinc/18/29/86/832182986.db2.gz SHCCEIJCNZGEBA-GFCCVEGCSA-N 1 3 329.422 -0.298 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCCNCC(=O)Nc2cnccn2)CC1 ZINC001165254605 832208996 /nfs/dbraw/zinc/20/89/96/832208996.db2.gz RFWKZRHCLJIYAZ-UHFFFAOYSA-N 1 3 334.424 -0.147 20 0 EBADHO NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001166249870 832253730 /nfs/dbraw/zinc/25/37/30/832253730.db2.gz KOSHBPDWETYFGI-UIORMTCPSA-N 1 3 336.436 -0.789 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626092 832274432 /nfs/dbraw/zinc/27/44/32/832274432.db2.gz ALOUWFRXRGNICE-CQSZACIVSA-N 1 3 348.513 -0.104 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166626936 832275088 /nfs/dbraw/zinc/27/50/88/832275088.db2.gz MPVYWFHGONTPEU-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708613 832282844 /nfs/dbraw/zinc/28/28/44/832282844.db2.gz UUTWQCJZHMWSNU-CHWSQXEVSA-N 1 3 334.424 -0.291 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708613 832282852 /nfs/dbraw/zinc/28/28/52/832282852.db2.gz UUTWQCJZHMWSNU-CHWSQXEVSA-N 1 3 334.424 -0.291 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166736799 832285634 /nfs/dbraw/zinc/28/56/34/832285634.db2.gz UADXWJCUQRDTSU-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC)N(C)C ZINC001166851682 832293894 /nfs/dbraw/zinc/29/38/94/832293894.db2.gz DUKKTKRUWYSCNQ-KBPBESRZSA-N 1 3 330.473 -0.036 20 0 EBADHO O=C(N[C@H]1CCCN2CCSC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001353467653 832429377 /nfs/dbraw/zinc/42/93/77/832429377.db2.gz PELWFNLJEDHQAU-KBPBESRZSA-N 1 3 327.498 -0.229 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001168763567 832434385 /nfs/dbraw/zinc/43/43/85/832434385.db2.gz POPKIBDLLKXSCG-CVEARBPZSA-N 1 3 345.484 -0.019 20 0 EBADHO CN1CCC(NC(=O)c2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nn2)CC1 ZINC001170778080 832525132 /nfs/dbraw/zinc/52/51/32/832525132.db2.gz KUXMYSIQEXZKBH-RISCZKNCSA-N 1 3 334.424 -0.707 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001171756943 832574883 /nfs/dbraw/zinc/57/48/83/832574883.db2.gz CGSKUMYXCVMGGS-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001171763301 832575016 /nfs/dbraw/zinc/57/50/16/832575016.db2.gz YIPCENORUBRWDC-UHFFFAOYSA-N 1 3 336.502 -0.294 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)CN1CCCC1)C(=O)Nc1ncccn1 ZINC001176103038 832657194 /nfs/dbraw/zinc/65/71/94/832657194.db2.gz OFYPPDLBFWJLID-ZDUSSCGKSA-N 1 3 334.424 -0.005 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001176161035 832660325 /nfs/dbraw/zinc/66/03/25/832660325.db2.gz MAXACIURVORTHN-STQMWFEESA-N 1 3 339.444 -0.665 20 0 EBADHO Cc1nonc1CNCCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176170379 832661193 /nfs/dbraw/zinc/66/11/93/832661193.db2.gz UUIIPLCYOFZAHM-LBPRGKRZSA-N 1 3 325.413 -0.058 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176285688 832663586 /nfs/dbraw/zinc/66/35/86/832663586.db2.gz OVHUCWAMMBZFTE-GFCCVEGCSA-N 1 3 329.445 -0.212 20 0 EBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971708 832722095 /nfs/dbraw/zinc/72/20/95/832722095.db2.gz FXOWFOLTGOMSQX-LSDHHAIUSA-N 1 3 333.473 -0.165 20 0 EBADHO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975419 832723002 /nfs/dbraw/zinc/72/30/02/832723002.db2.gz QBYIFDZNDWVERP-UHFFFAOYSA-N 1 3 343.472 -0.096 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001176986541 832725993 /nfs/dbraw/zinc/72/59/93/832725993.db2.gz QPHVGXPVNQCIRO-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176992766 832727959 /nfs/dbraw/zinc/72/79/59/832727959.db2.gz ZRDOPJLBAUQSKZ-NEPJUHHUSA-N 1 3 327.429 -0.460 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178813802 832915811 /nfs/dbraw/zinc/91/58/11/832915811.db2.gz JTIAQEUCBKXPQD-SRVKXCTJSA-N 1 3 345.419 -0.560 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303432 832969009 /nfs/dbraw/zinc/96/90/09/832969009.db2.gz BYICVCUVZANYGE-ZDEQEGDKSA-N 1 3 339.440 -0.496 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179430847 832976855 /nfs/dbraw/zinc/97/68/55/832976855.db2.gz HTKUHIFCORVREJ-RYUDHWBXSA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476323 832982548 /nfs/dbraw/zinc/98/25/48/832982548.db2.gz QRWAEFUFMSYOAN-AAEUAGOBSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC[C@@H]2CCOC2)CCN1C(=O)CC[NH+](C)C ZINC001179486031 832982579 /nfs/dbraw/zinc/98/25/79/832982579.db2.gz FKCKANNYUBUURW-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)CC[NH+](C)C ZINC001179472809 832982598 /nfs/dbraw/zinc/98/25/98/832982598.db2.gz ZEPLLWMILPILOP-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187232537 833912000 /nfs/dbraw/zinc/91/20/00/833912000.db2.gz ZIXXWJPWFGLHPK-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)S(C)(=O)=O ZINC001187232198 833912041 /nfs/dbraw/zinc/91/20/41/833912041.db2.gz WZRNCPAGSGXAQB-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158194 834016779 /nfs/dbraw/zinc/01/67/79/834016779.db2.gz GPRXPEJNOHOPBS-CABCVRRESA-N 1 3 331.457 -0.459 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190363184 834263276 /nfs/dbraw/zinc/26/32/76/834263276.db2.gz DTTFGGCOUMNQNA-MELADBBJSA-N 1 3 336.436 -0.336 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190363184 834263283 /nfs/dbraw/zinc/26/32/83/834263283.db2.gz DTTFGGCOUMNQNA-MELADBBJSA-N 1 3 336.436 -0.336 20 0 EBADHO CC(=O)NCCOCCN(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169612 834619861 /nfs/dbraw/zinc/61/98/61/834619861.db2.gz BGMBVLHYFMHJBF-OAHLLOKOSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COCCOC)C1 ZINC001192970866 834773052 /nfs/dbraw/zinc/77/30/52/834773052.db2.gz ZLSPOLRIAFIYIO-JKSUJKDBSA-N 1 3 345.484 -0.115 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COCCOC)C1 ZINC001192970866 834773062 /nfs/dbraw/zinc/77/30/62/834773062.db2.gz ZLSPOLRIAFIYIO-JKSUJKDBSA-N 1 3 345.484 -0.115 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COCCOC)C1 ZINC001193642391 834921037 /nfs/dbraw/zinc/92/10/37/834921037.db2.gz NHTSEVLZPLOFGG-CVEARBPZSA-N 1 3 345.484 -0.115 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COCCOC)C1 ZINC001193642391 834921039 /nfs/dbraw/zinc/92/10/39/834921039.db2.gz NHTSEVLZPLOFGG-CVEARBPZSA-N 1 3 345.484 -0.115 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001195869387 835301814 /nfs/dbraw/zinc/30/18/14/835301814.db2.gz CCFRPMDZHQPIDI-HUUCEWRRSA-N 1 3 338.456 -0.439 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCN(C[C@@H](O)COCCOC)CC1 ZINC001197707881 835599250 /nfs/dbraw/zinc/59/92/50/835599250.db2.gz PVTXYCXCWVHGQW-MRXNPFEDSA-N 1 3 345.484 -0.114 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCN(C[C@@H](O)COCCOC)CC1 ZINC001197707881 835599259 /nfs/dbraw/zinc/59/92/59/835599259.db2.gz PVTXYCXCWVHGQW-MRXNPFEDSA-N 1 3 345.484 -0.114 20 0 EBADHO CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197825718 835612894 /nfs/dbraw/zinc/61/28/94/835612894.db2.gz HIQQOUKXXRPJKT-OAGGEKHMSA-N 1 3 343.468 -0.459 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001199826417 835866647 /nfs/dbraw/zinc/86/66/47/835866647.db2.gz KOMXDRKUDQMBMR-HZPDHXFCSA-N 1 3 335.452 -0.081 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537135 835982718 /nfs/dbraw/zinc/98/27/18/835982718.db2.gz LVFLQRJUOCZBJV-HZSPNIEDSA-N 1 3 326.441 -0.720 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537135 835982726 /nfs/dbraw/zinc/98/27/26/835982726.db2.gz LVFLQRJUOCZBJV-HZSPNIEDSA-N 1 3 326.441 -0.720 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001200554988 835985065 /nfs/dbraw/zinc/98/50/65/835985065.db2.gz OEORPMRENWEKEZ-MELADBBJSA-N 1 3 326.441 -0.591 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001200554988 835985074 /nfs/dbraw/zinc/98/50/74/835985074.db2.gz OEORPMRENWEKEZ-MELADBBJSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1)C(N)=O ZINC001200704835 836019003 /nfs/dbraw/zinc/01/90/03/836019003.db2.gz PYJMPDCCCQTMJF-GXTWGEPZSA-N 1 3 326.441 -0.448 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704721 836020018 /nfs/dbraw/zinc/02/00/18/836020018.db2.gz PJNNVPIQDFTJKS-CVEARBPZSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCCO1 ZINC001200736955 836027770 /nfs/dbraw/zinc/02/77/70/836027770.db2.gz HUDUTJNEJOYDBE-PMPSAXMXSA-N 1 3 345.484 -0.213 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCO[C@H](CNCC(=O)N(C)C)C1)[NH+](C)C ZINC001200737301 836028511 /nfs/dbraw/zinc/02/85/11/836028511.db2.gz LQGVHUIHDXSQJU-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001200852138 836048890 /nfs/dbraw/zinc/04/88/90/836048890.db2.gz WANGZHYUMFYUKN-GJZGRUSLSA-N 1 3 345.484 -0.069 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260262 836118826 /nfs/dbraw/zinc/11/88/26/836118826.db2.gz HZDXSUMDVJJDTK-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CNCCS(C)(=O)=O)C1 ZINC001201277799 836122196 /nfs/dbraw/zinc/12/21/96/836122196.db2.gz XPTPSUIYZUNVDR-CQSZACIVSA-N 1 3 349.497 -0.420 20 0 EBADHO CC[C@H](NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309903 836127087 /nfs/dbraw/zinc/12/70/87/836127087.db2.gz URRQHIGACGQZPW-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001201313953 836127306 /nfs/dbraw/zinc/12/73/06/836127306.db2.gz KHJDZYIYYXOOGJ-LLVKDONJSA-N 1 3 341.456 -0.119 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001201333714 836129925 /nfs/dbraw/zinc/12/99/25/836129925.db2.gz BUEVCCPWSVCCQN-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343394 836132190 /nfs/dbraw/zinc/13/21/90/836132190.db2.gz FKNBGODNPWQFJM-GOEBONIOSA-N 1 3 342.484 -0.084 20 0 EBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201429957 836145444 /nfs/dbraw/zinc/14/54/44/836145444.db2.gz JLWZJGIIRMFOLZ-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201678314 836174682 /nfs/dbraw/zinc/17/46/82/836174682.db2.gz IHDLVGOBIXVJFK-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201678313 836174700 /nfs/dbraw/zinc/17/47/00/836174700.db2.gz IHDLVGOBIXVJFK-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201677464 836174883 /nfs/dbraw/zinc/17/48/83/836174883.db2.gz CEUWGSRVTOKUQW-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001201808355 836194883 /nfs/dbraw/zinc/19/48/83/836194883.db2.gz CBCCRJYJHUISDS-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001201808355 836194885 /nfs/dbraw/zinc/19/48/85/836194885.db2.gz CBCCRJYJHUISDS-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001201808969 836196104 /nfs/dbraw/zinc/19/61/04/836196104.db2.gz IUGVAMJHNLSXOJ-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001201808969 836196111 /nfs/dbraw/zinc/19/61/11/836196111.db2.gz IUGVAMJHNLSXOJ-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863375 836207787 /nfs/dbraw/zinc/20/77/87/836207787.db2.gz LXANWUGSDHTEDS-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863375 836207793 /nfs/dbraw/zinc/20/77/93/836207793.db2.gz LXANWUGSDHTEDS-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201908956 836214044 /nfs/dbraw/zinc/21/40/44/836214044.db2.gz SFNXVZNFDYCGOS-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001201932474 836218100 /nfs/dbraw/zinc/21/81/00/836218100.db2.gz ZAIFIUBPWVNJGM-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001201932502 836218630 /nfs/dbraw/zinc/21/86/30/836218630.db2.gz ZRUUQDFPGAPZKF-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202359239 836294426 /nfs/dbraw/zinc/29/44/26/836294426.db2.gz ORYWVDXRGVYRTI-CQSZACIVSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(=O)NC(N)=O ZINC001202504691 836308031 /nfs/dbraw/zinc/30/80/31/836308031.db2.gz VPDIOOBZPQQSBB-NWDGAFQWSA-N 1 3 339.440 -0.508 20 0 EBADHO COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666807 836332296 /nfs/dbraw/zinc/33/22/96/836332296.db2.gz BRTSLIMJVGCZQV-OAHLLOKOSA-N 1 3 340.424 -0.443 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203652204 836458346 /nfs/dbraw/zinc/45/83/46/836458346.db2.gz SGAMXCYQRTVSED-NEPJUHHUSA-N 1 3 339.440 -0.460 20 0 EBADHO CN(CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1)S(C)(=O)=O ZINC001203709091 836465433 /nfs/dbraw/zinc/46/54/33/836465433.db2.gz KKFSPZRNKXUMGM-UHFFFAOYSA-N 1 3 346.497 -0.446 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687862 836844764 /nfs/dbraw/zinc/84/47/64/836844764.db2.gz JIFPAPLNBPCBNJ-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688611 836845320 /nfs/dbraw/zinc/84/53/20/836845320.db2.gz RBEVIBAQHCHJED-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001208330713 836997711 /nfs/dbraw/zinc/99/77/11/836997711.db2.gz CWIRUWOZVOVGSP-ZDUSSCGKSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001208328567 836997760 /nfs/dbraw/zinc/99/77/60/836997760.db2.gz FUGRGGWSRWPLRH-NSHDSACASA-N 1 3 325.413 -0.754 20 0 EBADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001208340761 837000976 /nfs/dbraw/zinc/00/09/76/837000976.db2.gz PEYWEQLBTPQRJF-RYUDHWBXSA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209314915 837156160 /nfs/dbraw/zinc/15/61/60/837156160.db2.gz MPDFPIMZFNEJEF-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419148 837165652 /nfs/dbraw/zinc/16/56/52/837165652.db2.gz JMBXCGJQWYAPEZ-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001209640996 837183757 /nfs/dbraw/zinc/18/37/57/837183757.db2.gz GKXOANRMYIELLG-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210228431 837256515 /nfs/dbraw/zinc/25/65/15/837256515.db2.gz IQEUBPYTIPQSAJ-CVEARBPZSA-N 1 3 345.484 -0.067 20 0 EBADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678770 837318263 /nfs/dbraw/zinc/31/82/63/837318263.db2.gz WSHLVAGKWNIVNX-AWEZNQCLSA-N 1 3 328.457 -0.330 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001210796763 837333432 /nfs/dbraw/zinc/33/34/32/837333432.db2.gz JOLCKUIQXWXSSB-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001210796763 837333440 /nfs/dbraw/zinc/33/34/40/837333440.db2.gz JOLCKUIQXWXSSB-STQMWFEESA-N 1 3 341.456 -0.118 20 0 EBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211025248 837370732 /nfs/dbraw/zinc/37/07/32/837370732.db2.gz HCCDPFNUZDLYKU-VNQPRFMTSA-N 1 3 340.468 -0.473 20 0 EBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211025248 837370741 /nfs/dbraw/zinc/37/07/41/837370741.db2.gz HCCDPFNUZDLYKU-VNQPRFMTSA-N 1 3 340.468 -0.473 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001318979081 838053841 /nfs/dbraw/zinc/05/38/41/838053841.db2.gz MGVIYXHLKBBHDO-IHRRRGAJSA-N 1 3 348.513 -0.107 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCSCC1 ZINC001322252671 839163434 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ZINC001329198635 840871348 /nfs/dbraw/zinc/87/13/48/840871348.db2.gz DAULYMQVJDBGFN-AWEZNQCLSA-N 1 3 342.484 -0.131 20 0 EBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001331193665 841367621 /nfs/dbraw/zinc/36/76/21/841367621.db2.gz XHXXHOXTLKAHOF-CQSZACIVSA-N 1 3 339.484 -0.661 20 0 EBADHO CN1CCN(C2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC001331396115 841402386 /nfs/dbraw/zinc/40/23/86/841402386.db2.gz QCIUHNCHQWDDER-UHFFFAOYSA-N 1 3 338.500 -0.687 20 0 EBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331550770 841425591 /nfs/dbraw/zinc/42/55/91/841425591.db2.gz JHSCKMGFFPIKLL-XHSDSOJGSA-N 1 3 330.432 -0.152 20 0 EBADHO OCC1(CO)CCN(C/C=C\C[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001331833310 841514506 /nfs/dbraw/zinc/51/45/06/841514506.db2.gz SOHCLDBPIUWMFB-UPHRSURJSA-N 1 3 342.480 -0.324 20 0 EBADHO CN1CCN(Cc2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC001332974419 841773315 /nfs/dbraw/zinc/77/33/15/841773315.db2.gz ASDSLIZNYARWAW-UHFFFAOYSA-N 1 3 345.491 -0.045 20 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338.452 -0.088 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001691178151 1125841205 /nfs/dbraw/zinc/84/12/05/1125841205.db2.gz NVEJFKOYWNHUNE-RGCMKSIDSA-N 1 3 338.452 -0.138 20 0 EBADHO CN(CCNCC(=O)NCc1cccnc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314645 1125970901 /nfs/dbraw/zinc/97/09/01/1125970901.db2.gz JOHJNLZYNJDYIS-HNNXBMFYSA-N 1 3 333.436 -0.303 20 0 EBADHO CN(CCNCC(=O)NCc1cccnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314645 1125970902 /nfs/dbraw/zinc/97/09/02/1125970902.db2.gz JOHJNLZYNJDYIS-HNNXBMFYSA-N 1 3 333.436 -0.303 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481458467 1125994030 /nfs/dbraw/zinc/99/40/30/1125994030.db2.gz WDANZEBVVUKRQW-STQMWFEESA-N 1 3 341.456 -0.260 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481458467 1125994032 /nfs/dbraw/zinc/99/40/32/1125994032.db2.gz WDANZEBVVUKRQW-STQMWFEESA-N 1 3 341.456 -0.260 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497099 1126003649 /nfs/dbraw/zinc/00/36/49/1126003649.db2.gz IDZVMQTZVFXARE-RYUDHWBXSA-N 1 3 327.429 -0.698 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506416 1126005109 /nfs/dbraw/zinc/00/51/09/1126005109.db2.gz CRIKVDQJMBNGGM-QWHCGFSZSA-N 1 3 339.440 -0.554 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001481506416 1126005111 /nfs/dbraw/zinc/00/51/11/1126005111.db2.gz CRIKVDQJMBNGGM-QWHCGFSZSA-N 1 3 339.440 -0.554 20 0 EBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730081 1126269119 /nfs/dbraw/zinc/26/91/19/1126269119.db2.gz SLFQFGKZFBFZKJ-HOTGVXAUSA-N 1 3 333.436 -0.306 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)CCC1 ZINC001482737801 1126272035 /nfs/dbraw/zinc/27/20/35/1126272035.db2.gz UHSUPFONPJQEMV-CQSZACIVSA-N 1 3 340.468 -0.450 20 0 EBADHO CC(C)N(C)C(=O)[C@H](C)NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764961 1126281521 /nfs/dbraw/zinc/28/15/21/1126281521.db2.gz ZSOLYFZEOHCKDK-ZFWWWQNUSA-N 1 3 342.484 -0.350 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785421 1126290375 /nfs/dbraw/zinc/29/03/75/1126290375.db2.gz IYCLMIXBUNOCSI-CHWSQXEVSA-N 1 3 328.457 -0.690 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785421 1126290377 /nfs/dbraw/zinc/29/03/77/1126290377.db2.gz IYCLMIXBUNOCSI-CHWSQXEVSA-N 1 3 328.457 -0.690 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790373 1126292042 /nfs/dbraw/zinc/29/20/42/1126292042.db2.gz AXRRINAQNZNIQV-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790373 1126292043 /nfs/dbraw/zinc/29/20/43/1126292043.db2.gz AXRRINAQNZNIQV-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO CCCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482966727 1126307277 /nfs/dbraw/zinc/30/72/77/1126307277.db2.gz HQILXGCGOGHDRV-CYBMUJFWSA-N 1 3 341.456 -0.388 20 0 EBADHO CCCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482966727 1126307279 /nfs/dbraw/zinc/30/72/79/1126307279.db2.gz HQILXGCGOGHDRV-CYBMUJFWSA-N 1 3 341.456 -0.388 20 0 EBADHO CCN(CCNCC(=O)NC(N)=O)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482969394 1126307735 /nfs/dbraw/zinc/30/77/35/1126307735.db2.gz FYEIFJWDBYXHCG-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCOC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556863 1126321609 /nfs/dbraw/zinc/32/16/09/1126321609.db2.gz ZLPXCRFLRIJRHZ-LSDHHAIUSA-N 1 3 340.468 -0.471 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCOC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691556863 1126321612 /nfs/dbraw/zinc/32/16/12/1126321612.db2.gz ZLPXCRFLRIJRHZ-LSDHHAIUSA-N 1 3 340.468 -0.471 20 0 EBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C ZINC001483167249 1126349477 /nfs/dbraw/zinc/34/94/77/1126349477.db2.gz GKIRGWMBWXGSFW-MCIONIFRSA-N 1 3 328.457 -0.332 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001483198011 1126352714 /nfs/dbraw/zinc/35/27/14/1126352714.db2.gz UKWGCQYVNUIHKY-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001409359574 1126358518 /nfs/dbraw/zinc/35/85/18/1126358518.db2.gz KGBLOBPBWLWWPW-QWRGUYRKSA-N 1 3 329.445 -0.358 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001409359551 1126358529 /nfs/dbraw/zinc/35/85/29/1126358529.db2.gz KGBLOBPBWLWWPW-MNOVXSKESA-N 1 3 329.445 -0.358 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369232 1126359419 /nfs/dbraw/zinc/35/94/19/1126359419.db2.gz BVRAOWAXWZSRLA-GHMZBOCLSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@@H](NC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001483254892 1126411200 /nfs/dbraw/zinc/41/12/00/1126411200.db2.gz KGZIRYVDNKQJHT-WDEREUQCSA-N 1 3 327.429 -0.462 20 0 EBADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CCC(C)CC1)C(=O)NC(N)=O ZINC001483498972 1126431188 /nfs/dbraw/zinc/43/11/88/1126431188.db2.gz BIFPHCZVWONKNW-ZDUSSCGKSA-N 1 3 341.456 -0.260 20 0 EBADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001483945350 1126491790 /nfs/dbraw/zinc/49/17/90/1126491790.db2.gz VERJULLOLZBBSF-LBPRGKRZSA-N 1 3 341.456 -0.260 20 0 EBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001483950733 1126492837 /nfs/dbraw/zinc/49/28/37/1126492837.db2.gz UERLYJHIECVXKQ-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001484692165 1126619844 /nfs/dbraw/zinc/61/98/44/1126619844.db2.gz ZLUSNIBPOCEVTM-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO CN1CC[C@@H](NC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695206 1126624372 /nfs/dbraw/zinc/62/43/72/1126624372.db2.gz ABZBOQKNSZGRDN-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001484697861 1126624994 /nfs/dbraw/zinc/62/49/94/1126624994.db2.gz YJSLSBMZHJMQOY-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2cnnn2C)CCOCC1 ZINC001484872475 1126647865 /nfs/dbraw/zinc/64/78/65/1126647865.db2.gz GKAOIATYOKLQGK-UHFFFAOYSA-N 1 3 338.456 -0.090 20 0 EBADHO C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001485227097 1126682295 /nfs/dbraw/zinc/68/22/95/1126682295.db2.gz UUOUNHINYRUVKE-STQMWFEESA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001485881249 1126905142 /nfs/dbraw/zinc/90/51/42/1126905142.db2.gz DORKIOVXSPOYRR-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131085 1127043623 /nfs/dbraw/zinc/04/36/23/1127043623.db2.gz POXNNUJEYNXQKC-OLZOCXBDSA-N 1 3 326.441 -0.578 20 0 EBADHO CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302881 1127107187 /nfs/dbraw/zinc/10/71/87/1127107187.db2.gz HDXPAMGCDPFLCJ-GJZGRUSLSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319187 1127120819 /nfs/dbraw/zinc/12/08/19/1127120819.db2.gz XKQLZVCAJYKFLW-LSDHHAIUSA-N 1 3 340.468 -0.450 20 0 EBADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001410232987 1127652364 /nfs/dbraw/zinc/65/23/64/1127652364.db2.gz FYKXKQKLNUPXOP-XYPYZODXSA-N 1 3 325.413 -0.850 20 0 EBADHO CN(CC(=O)NC(N)=O)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001410264434 1127662896 /nfs/dbraw/zinc/66/28/96/1127662896.db2.gz XHWSLXVLDOIDBO-NSHDSACASA-N 1 3 325.413 -0.944 20 0 EBADHO CN(CC(=O)NC(N)=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001410264434 1127662897 /nfs/dbraw/zinc/66/28/97/1127662897.db2.gz XHWSLXVLDOIDBO-NSHDSACASA-N 1 3 325.413 -0.944 20 0 EBADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392584 1127699689 /nfs/dbraw/zinc/69/96/89/1127699689.db2.gz ZSXCJAFGBRUHPC-QWHCGFSZSA-N 1 3 338.456 -0.371 20 0 EBADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482871 1127726612 /nfs/dbraw/zinc/72/66/12/1127726612.db2.gz RWPCRIHMXGQPBH-STQMWFEESA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@H](C)C(=O)NC(N)=O ZINC001410496109 1127729137 /nfs/dbraw/zinc/72/91/37/1127729137.db2.gz CNNLMLLIFRGGRI-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001410870331 1127923442 /nfs/dbraw/zinc/92/34/42/1127923442.db2.gz WLFXNWXEOCRGMI-KGLIPLIRSA-N 1 3 348.513 -0.203 20 0 EBADHO Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001411123826 1128024641 /nfs/dbraw/zinc/02/46/41/1128024641.db2.gz IJZSNRZKNVHSSC-HNNXBMFYSA-N 1 3 325.457 -0.022 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220109 1128095281 /nfs/dbraw/zinc/09/52/81/1128095281.db2.gz DRMWSXSQAHXQBI-WDEREUQCSA-N 1 3 327.429 -0.747 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220109 1128095282 /nfs/dbraw/zinc/09/52/82/1128095282.db2.gz DRMWSXSQAHXQBI-WDEREUQCSA-N 1 3 327.429 -0.747 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NCc1cccnc1 ZINC001187835213 1128355793 /nfs/dbraw/zinc/35/57/93/1128355793.db2.gz RQPYIMSVFBNSCO-MRXNPFEDSA-N 1 3 345.447 -0.016 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001187842524 1128355863 /nfs/dbraw/zinc/35/58/63/1128355863.db2.gz OMZVFRVBPYDVKA-CABCVRRESA-N 1 3 338.452 -0.744 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001488100905 1128617562 /nfs/dbraw/zinc/61/75/62/1128617562.db2.gz XMSIPATZFFYYQI-UONOGXRCSA-N 1 3 340.468 -0.737 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001488535197 1128782634 /nfs/dbraw/zinc/78/26/34/1128782634.db2.gz ZWCFFKLELFBODK-IJLUTSLNSA-N 1 3 327.429 -0.652 20 0 EBADHO CS(=O)(=O)CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001488736080 1128833412 /nfs/dbraw/zinc/83/34/12/1128833412.db2.gz MZFYHRHLPFZAHZ-VHDGCEQUSA-N 1 3 343.493 -0.143 20 0 EBADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774613 1128841442 /nfs/dbraw/zinc/84/14/42/1128841442.db2.gz XAOVLQDTDXECEL-LPWJVIDDSA-N 1 3 339.440 -0.604 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001489541469 1128997523 /nfs/dbraw/zinc/99/75/23/1128997523.db2.gz YESMPRIOSBOOMK-ZIAGYGMSSA-N 1 3 349.435 -0.364 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001414059719 1131367824 /nfs/dbraw/zinc/36/78/24/1131367824.db2.gz GFEFUHDRQBRYCF-KGLIPLIRSA-N 1 3 328.457 -0.644 20 0 EBADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477831 1130462232 /nfs/dbraw/zinc/46/22/32/1130462232.db2.gz MORAGPRRUSCTNK-AAEUAGOBSA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477831 1130462235 /nfs/dbraw/zinc/46/22/35/1130462235.db2.gz MORAGPRRUSCTNK-AAEUAGOBSA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)NC(N)=O ZINC001491496469 1130472107 /nfs/dbraw/zinc/47/21/07/1130472107.db2.gz XAFGCTCCXFVDHA-LLVKDONJSA-N 1 3 325.413 -0.848 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220304343 1130524824 /nfs/dbraw/zinc/52/48/24/1130524824.db2.gz ZEWZBPSJHALBTB-GJZGRUSLSA-N 1 3 341.500 -0.382 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220304343 1130524829 /nfs/dbraw/zinc/52/48/29/1130524829.db2.gz ZEWZBPSJHALBTB-GJZGRUSLSA-N 1 3 341.500 -0.382 20 0 EBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCN1CCC([NH3+])CC1 ZINC001358111146 1131167201 /nfs/dbraw/zinc/16/72/01/1131167201.db2.gz HUKITPJHOVNBQS-QGZVFWFLSA-N 1 3 333.480 -0.015 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001365845933 1132830320 /nfs/dbraw/zinc/83/03/20/1132830320.db2.gz NQUSTWPQQHAXHD-JHJVBQTASA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366101796 1133005333 /nfs/dbraw/zinc/00/53/33/1133005333.db2.gz GAXNFCUOECWRDG-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001366133783 1133020962 /nfs/dbraw/zinc/02/09/62/1133020962.db2.gz YTWNCAHHCJCGEH-MGPQQGTHSA-N 1 3 331.482 0.000 20 0 EBADHO CS(=O)(=O)CCN[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366145543 1133025485 /nfs/dbraw/zinc/02/54/85/1133025485.db2.gz IAAHZALZTRBNJU-MJBXVCDLSA-N 1 3 329.466 -0.390 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001366365722 1133114050 /nfs/dbraw/zinc/11/40/50/1133114050.db2.gz KUYLHPUGZWRKCV-KBPBESRZSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001366370847 1133115404 /nfs/dbraw/zinc/11/54/04/1133115404.db2.gz YDQWKPQZSAPUKE-GXTWGEPZSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001366468798 1133151250 /nfs/dbraw/zinc/15/12/50/1133151250.db2.gz FHAJUEFRRXTMAJ-ZDUSSCGKSA-N 1 3 325.457 -0.020 20 0 EBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366899170 1133351514 /nfs/dbraw/zinc/35/15/14/1133351514.db2.gz ZSSYWYDEVCTDMV-ARFHVFGLSA-N 1 3 325.453 -0.084 20 0 EBADHO COC[C@H](O)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001367014861 1133426203 /nfs/dbraw/zinc/42/62/03/1133426203.db2.gz RHVFAKRMSXVOIM-LSDHHAIUSA-N 1 3 339.440 -0.744 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCC(=O)NC(N)=O)CC1 ZINC001367222118 1133505773 /nfs/dbraw/zinc/50/57/73/1133505773.db2.gz XEXKUASOOXADBA-LLVKDONJSA-N 1 3 325.413 -0.896 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001367249421 1133514985 /nfs/dbraw/zinc/51/49/85/1133514985.db2.gz RSCYUUYARFNBSH-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367358841 1133561595 /nfs/dbraw/zinc/56/15/95/1133561595.db2.gz QBMAWUUPYANXMY-JSGCOSHPSA-N 1 3 343.472 -0.145 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001367392818 1133574906 /nfs/dbraw/zinc/57/49/06/1133574906.db2.gz CTVAGLGVAOITCP-GFCCVEGCSA-N 1 3 327.429 -0.650 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367401886 1133579553 /nfs/dbraw/zinc/57/95/53/1133579553.db2.gz YVKNXYKSIYQXHX-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367401886 1133579557 /nfs/dbraw/zinc/57/95/57/1133579557.db2.gz YVKNXYKSIYQXHX-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001367419309 1133584580 /nfs/dbraw/zinc/58/45/80/1133584580.db2.gz ZPHSDXDZNHICEC-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001367424968 1133586028 /nfs/dbraw/zinc/58/60/28/1133586028.db2.gz AXYAEQBQKSXYFA-CMPLNLGQSA-N 1 3 336.396 -0.766 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001367434756 1133588404 /nfs/dbraw/zinc/58/84/04/1133588404.db2.gz QLDVPUWWSDWOAE-DGCLKSJQSA-N 1 3 328.438 -0.177 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCS(C)(=O)=O ZINC001367434753 1133588870 /nfs/dbraw/zinc/58/88/70/1133588870.db2.gz QLDVPUWWSDWOAE-AAEUAGOBSA-N 1 3 328.438 -0.177 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001367622041 1133707423 /nfs/dbraw/zinc/70/74/23/1133707423.db2.gz QWGNEXBQFFJNLW-HNNXBMFYSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)NC1CCOCC1)[NH+](C)C ZINC001367694184 1133749820 /nfs/dbraw/zinc/74/98/20/1133749820.db2.gz YZIIODBDZGSMTN-CZUORRHYSA-N 1 3 342.484 -0.038 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367748764 1133770441 /nfs/dbraw/zinc/77/04/41/1133770441.db2.gz KQKVGYTYXLPPOK-RYUDHWBXSA-N 1 3 341.456 -0.201 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)NC(N)=O)CC1 ZINC001367998584 1133887054 /nfs/dbraw/zinc/88/70/54/1133887054.db2.gz UXPSXTKEMIDDLN-VXGBXAGGSA-N 1 3 339.440 -0.319 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)NC(N)=O)CC1 ZINC001367998584 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20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374978011 1136888065 /nfs/dbraw/zinc/88/80/65/1136888065.db2.gz UFHFMOLBNXKNSS-RYUDHWBXSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001374981673 1136888401 /nfs/dbraw/zinc/88/84/01/1136888401.db2.gz ISYDOEAMCFCFKC-NWDGAFQWSA-N 1 3 327.429 -0.460 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000642768810 376087990 /nfs/dbraw/zinc/08/79/90/376087990.db2.gz GFXYFKNEGYCGTK-WWGRRREGSA-N 1 3 340.493 -0.107 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642773224 376094225 /nfs/dbraw/zinc/09/42/25/376094225.db2.gz BUXJCRYHMGMGPD-MCIONIFRSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@H](CCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCCCC1 ZINC000584043643 376061804 /nfs/dbraw/zinc/06/18/04/376061804.db2.gz ZQZKIFAFIUYFGU-HUUCEWRRSA-N 1 3 339.484 -0.532 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CS1 ZINC000564820266 376148844 /nfs/dbraw/zinc/14/88/44/376148844.db2.gz ZMEUUGUJRMXGRC-OLZOCXBDSA-N 1 3 330.498 -0.052 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905496 376686563 /nfs/dbraw/zinc/68/65/63/376686563.db2.gz NSAPXLZNCPAOCL-CQSZACIVSA-N 1 3 327.473 -0.804 20 0 EBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000569957964 377188343 /nfs/dbraw/zinc/18/83/43/377188343.db2.gz YIOODFHFNJSFLC-ILXRZTDVSA-N 1 3 338.452 -0.352 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642986983 377441799 /nfs/dbraw/zinc/44/17/99/377441799.db2.gz ZHBNHEOMZLMDLX-HIFRSBDPSA-N 1 3 331.420 -0.156 20 0 EBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)CC1 ZINC000593906119 377920752 /nfs/dbraw/zinc/92/07/52/377920752.db2.gz RGBHDFGSEKAUDU-JZXOWHBKSA-N 1 3 336.480 -0.151 20 0 EBADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595274736 377987692 /nfs/dbraw/zinc/98/76/92/377987692.db2.gz URQVIHUOKWBYDP-UONOGXRCSA-N 1 3 325.457 -0.082 20 0 EBADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595274736 377987697 /nfs/dbraw/zinc/98/76/97/377987697.db2.gz URQVIHUOKWBYDP-UONOGXRCSA-N 1 3 325.457 -0.082 20 0 EBADHO COC(=O)CCN1CCC[C@H](N2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890808 378032583 /nfs/dbraw/zinc/03/25/83/378032583.db2.gz FGMZADLBPSSRBQ-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000595889930 378032700 /nfs/dbraw/zinc/03/27/00/378032700.db2.gz ADHGCJXTIAXKNL-AWEZNQCLSA-N 1 3 339.436 -0.101 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636797991 378400688 /nfs/dbraw/zinc/40/06/88/378400688.db2.gz FRIMKYZOJASFDE-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109469 378431706 /nfs/dbraw/zinc/43/17/06/378431706.db2.gz DAROOZKEGJPGCT-UWVGGRQHSA-N 1 3 340.346 -0.781 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000337792437 378696192 /nfs/dbraw/zinc/69/61/92/378696192.db2.gz CPDUQIVWFRDIRG-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)CN1CCN(C)CC1 ZINC000627398621 379042018 /nfs/dbraw/zinc/04/20/18/379042018.db2.gz QXKDDAGXJPKJGU-RBSFLKMASA-N 1 3 339.484 -0.757 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000627291316 379122384 /nfs/dbraw/zinc/12/23/84/379122384.db2.gz QMOCJGYWNMNBDW-UHFFFAOYSA-N 1 3 328.457 -0.199 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C[C@@H]21 ZINC000454447501 379116602 /nfs/dbraw/zinc/11/66/02/379116602.db2.gz VMQSKDUENFRDIY-ILXRZTDVSA-N 1 3 337.468 -0.081 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C[C@@H]21 ZINC000454447501 379116609 /nfs/dbraw/zinc/11/66/09/379116609.db2.gz VMQSKDUENFRDIY-ILXRZTDVSA-N 1 3 337.468 -0.081 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)CCOCC[NH3+])CCCO1 ZINC000627296496 379142470 /nfs/dbraw/zinc/14/24/70/379142470.db2.gz IQCYDBZRAQRMGX-CQSZACIVSA-N 1 3 344.456 -0.963 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000627296883 379143493 /nfs/dbraw/zinc/14/34/93/379143493.db2.gz VZSDHZTYLJXYHB-SOUVJXGZSA-N 1 3 340.468 -0.140 20 0 EBADHO COC[C@@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554709 379216028 /nfs/dbraw/zinc/21/60/28/379216028.db2.gz IVZZPHAAODPXRB-RHSMWYFYSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC000459034353 379241588 /nfs/dbraw/zinc/24/15/88/379241588.db2.gz COFYXMYILVJPKO-UONOGXRCSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCC(C)CC1 ZINC000627331863 379340202 /nfs/dbraw/zinc/34/02/02/379340202.db2.gz KCDNROKKXCQHER-CQSZACIVSA-N 1 3 340.468 -0.153 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312400 379303034 /nfs/dbraw/zinc/30/30/34/379303034.db2.gz XTWLBUOFNRNVJL-RBSFLKMASA-N 1 3 342.484 -0.097 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839677 379366834 /nfs/dbraw/zinc/36/68/34/379366834.db2.gz WWTNOWBOPCKWOP-GUYCJALGSA-N 1 3 338.452 -0.447 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621844389 379367514 /nfs/dbraw/zinc/36/75/14/379367514.db2.gz QVHZVRWXIAIQDN-CJNGLKHVSA-N 1 3 326.441 -0.589 20 0 EBADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[nH]n1 ZINC000627513555 379527953 /nfs/dbraw/zinc/52/79/53/379527953.db2.gz JYLDERRZAGBLTE-UHFFFAOYSA-N 1 3 326.401 -0.691 20 0 EBADHO CC[NH2+]CCNC(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000627405888 379582347 /nfs/dbraw/zinc/58/23/47/379582347.db2.gz PTQLEGOJZXPEOO-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000627413245 379586069 /nfs/dbraw/zinc/58/60/69/379586069.db2.gz FOYANXVYFGHAQC-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000627411812 379586131 /nfs/dbraw/zinc/58/61/31/379586131.db2.gz UTXSCISQHISBMH-CYBMUJFWSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627428751 379594547 /nfs/dbraw/zinc/59/45/47/379594547.db2.gz NKIZUENGDQAVHK-CQSZACIVSA-N 1 3 328.457 -0.295 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000627358047 379563484 /nfs/dbraw/zinc/56/34/84/379563484.db2.gz ZAJYBZAKLOXACQ-CQSZACIVSA-N 1 3 328.457 -0.471 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627357413 379563682 /nfs/dbraw/zinc/56/36/82/379563682.db2.gz FWJBNJZIDSROEO-UHFFFAOYSA-N 1 3 326.441 -0.541 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000627370822 379569738 /nfs/dbraw/zinc/56/97/38/379569738.db2.gz NLWRLKQCPKGQTR-HNNXBMFYSA-N 1 3 346.497 -0.766 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[NH2+]1 ZINC000627370983 379569830 /nfs/dbraw/zinc/56/98/30/379569830.db2.gz SDARUFWXPZDJKI-JMSVASOKSA-N 1 3 328.482 -0.203 20 0 EBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)C[NH2+]1 ZINC000627480024 379630118 /nfs/dbraw/zinc/63/01/18/379630118.db2.gz KCTOQDPCYJKQGB-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000627484746 379633651 /nfs/dbraw/zinc/63/36/51/379633651.db2.gz HWVOBKHEYZVDQW-AWEZNQCLSA-N 1 3 326.441 -0.445 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000627464538 379615541 /nfs/dbraw/zinc/61/55/41/379615541.db2.gz FBUADIHPRIXQBV-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO O=S(=O)(C[C@H]1CNCCO1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000631962256 379793721 /nfs/dbraw/zinc/79/37/21/379793721.db2.gz LGBIOQZRAVDOMT-OAHLLOKOSA-N 1 3 347.481 -0.509 20 0 EBADHO O=S(=O)(C[C@H]1CNCCO1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000631962256 379793728 /nfs/dbraw/zinc/79/37/28/379793728.db2.gz LGBIOQZRAVDOMT-OAHLLOKOSA-N 1 3 347.481 -0.509 20 0 EBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000626978730 379771217 /nfs/dbraw/zinc/77/12/17/379771217.db2.gz JWBCRAVHRVVIRN-KBPBESRZSA-N 1 3 325.457 -0.558 20 0 EBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000626978730 379771224 /nfs/dbraw/zinc/77/12/24/379771224.db2.gz JWBCRAVHRVVIRN-KBPBESRZSA-N 1 3 325.457 -0.558 20 0 EBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000626978730 379771230 /nfs/dbraw/zinc/77/12/30/379771230.db2.gz JWBCRAVHRVVIRN-KBPBESRZSA-N 1 3 325.457 -0.558 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627215047 379840730 /nfs/dbraw/zinc/84/07/30/379840730.db2.gz FRJUYDCWQXUTBL-CQSZACIVSA-N 1 3 341.456 -0.700 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000633086357 379930014 /nfs/dbraw/zinc/93/00/14/379930014.db2.gz QEEKTWPKPZRISX-KFWWJZLASA-N 1 3 340.468 -0.391 20 0 EBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637834776 379877229 /nfs/dbraw/zinc/87/72/29/379877229.db2.gz HGSUIPFSKWOMRB-KRWDZBQOSA-N 1 3 333.480 -0.191 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000633074872 379928291 /nfs/dbraw/zinc/92/82/91/379928291.db2.gz BZSDMTJDYCMBSY-ZIAGYGMSSA-N 1 3 331.420 -0.217 20 0 EBADHO COCCN1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000564208025 379976979 /nfs/dbraw/zinc/97/69/79/379976979.db2.gz MOWOWNWLXDJTQC-CQSZACIVSA-N 1 3 336.440 -0.129 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633089444 379932714 /nfs/dbraw/zinc/93/27/14/379932714.db2.gz MGPZNZHZRNGSMD-GASCZTMLSA-N 1 3 340.468 -0.234 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633138902 379947363 /nfs/dbraw/zinc/94/73/63/379947363.db2.gz FIUDTSDUIKVRFR-STQMWFEESA-N 1 3 347.419 -0.313 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354664981 380075946 /nfs/dbraw/zinc/07/59/46/380075946.db2.gz NRXQAGJAXWGVBO-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226425 380292880 /nfs/dbraw/zinc/29/28/80/380292880.db2.gz GFRFHAUBNLGDQD-ZWKOTPCHSA-N 1 3 345.491 -0.048 20 0 EBADHO CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000615216511 380296710 /nfs/dbraw/zinc/29/67/10/380296710.db2.gz YWHHZPAPJNVYMJ-BFHYXJOUSA-N 1 3 330.473 -0.398 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](CN)C1 ZINC000564787704 380379284 /nfs/dbraw/zinc/37/92/84/380379284.db2.gz UKNMPPYVBQGXMV-CQSZACIVSA-N 1 3 339.484 -0.532 20 0 EBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000154507472 380507305 /nfs/dbraw/zinc/50/73/05/380507305.db2.gz FVFGURMNWAIJCG-ZDUSSCGKSA-N 1 3 336.440 -0.064 20 0 EBADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249381 380508838 /nfs/dbraw/zinc/50/88/38/380508838.db2.gz BSBILSRQDCMYJA-ZFWWWQNUSA-N 1 3 346.497 -0.113 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569211769 380633721 /nfs/dbraw/zinc/63/37/21/380633721.db2.gz HOFXMDKMINVOMC-KRWDZBQOSA-N 1 3 339.484 -0.850 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000569240893 380635374 /nfs/dbraw/zinc/63/53/74/380635374.db2.gz XTYQPQLINBMLBB-CABCVRRESA-N 1 3 329.489 -0.199 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000573355383 380671196 /nfs/dbraw/zinc/67/11/96/380671196.db2.gz ZKHCYHQNXLTASW-ZDUSSCGKSA-N 1 3 326.441 -0.495 20 0 EBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000573817577 380689142 /nfs/dbraw/zinc/68/91/42/380689142.db2.gz OYDWRLVCNPQYTI-AWEZNQCLSA-N 1 3 334.420 -0.279 20 0 EBADHO COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000576242213 380763189 /nfs/dbraw/zinc/76/31/89/380763189.db2.gz RLXIFZPJTDVJDC-KBPBESRZSA-N 1 3 339.440 -0.949 20 0 EBADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000575330613 380737497 /nfs/dbraw/zinc/73/74/97/380737497.db2.gz ALYNNPFEXKZIAA-CABCVRRESA-N 1 3 337.468 -0.781 20 0 EBADHO C[C@@H]1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000580639190 380806006 /nfs/dbraw/zinc/80/60/06/380806006.db2.gz BBTLTOSIKGLRPE-ILXRZTDVSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000417547964 380935655 /nfs/dbraw/zinc/93/56/55/380935655.db2.gz HNIJJEPPYDXQCT-QWHCGFSZSA-N 1 3 325.457 -0.034 20 0 EBADHO Cn1ccnc1CN(C(=O)COC1CNC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000582726947 381060415 /nfs/dbraw/zinc/06/04/15/381060415.db2.gz USOXRRPPIQCBAR-CQSZACIVSA-N 1 3 333.436 -0.121 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000617506542 381035264 /nfs/dbraw/zinc/03/52/64/381035264.db2.gz RVKUFOFSTASPNI-HOTGVXAUSA-N 1 3 325.501 -0.236 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000642439536 381094195 /nfs/dbraw/zinc/09/41/95/381094195.db2.gz LADPABPFGZUFNP-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](CN)C1 ZINC000583074484 381097008 /nfs/dbraw/zinc/09/70/08/381097008.db2.gz HOFLQHFQABHKCF-MRXNPFEDSA-N 1 3 347.463 -0.534 20 0 EBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418849657 381304601 /nfs/dbraw/zinc/30/46/01/381304601.db2.gz DDBVLYACKYOWLY-BBWFWOEESA-N 1 3 344.459 -0.047 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000418802624 381276894 /nfs/dbraw/zinc/27/68/94/381276894.db2.gz YFDDNOFCRNSTIU-GJZGRUSLSA-N 1 3 328.457 -0.243 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418877204 381325386 /nfs/dbraw/zinc/32/53/86/381325386.db2.gz IGSAYXZZZICGSY-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478913 381329145 /nfs/dbraw/zinc/32/91/45/381329145.db2.gz OQOBALMYQDQQOF-ZBFHGGJFSA-N 1 3 343.431 -0.059 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419022789 381356523 /nfs/dbraw/zinc/35/65/23/381356523.db2.gz IRGQRLJTOLPGNU-QLFBSQMISA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419028050 381356763 /nfs/dbraw/zinc/35/67/63/381356763.db2.gz PTILXXJGEKKOHI-UONOGXRCSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419028050 381356767 /nfs/dbraw/zinc/35/67/67/381356767.db2.gz PTILXXJGEKKOHI-UONOGXRCSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419144507 381395105 /nfs/dbraw/zinc/39/51/05/381395105.db2.gz FKLCKFGBUXAPJV-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419214050 381401428 /nfs/dbraw/zinc/40/14/28/381401428.db2.gz MDCZNDAQQHRJPM-ZDUSSCGKSA-N 1 3 336.436 -0.046 20 0 EBADHO C[NH2+]CCCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419374733 381425060 /nfs/dbraw/zinc/42/50/60/381425060.db2.gz OWVGVRZCPQNDKM-UHFFFAOYSA-N 1 3 332.448 -0.073 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419408882 381428296 /nfs/dbraw/zinc/42/82/96/381428296.db2.gz MIDMNMNPVKPPSA-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000419402598 381428706 /nfs/dbraw/zinc/42/87/06/381428706.db2.gz CITBEXFSTMGCGF-CQSZACIVSA-N 1 3 326.441 -0.589 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419454665 381440391 /nfs/dbraw/zinc/44/03/91/381440391.db2.gz UNCROYSUERGLRG-CQSZACIVSA-N 1 3 328.457 -0.342 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419451264 381440439 /nfs/dbraw/zinc/44/04/39/381440439.db2.gz MYSUFMLCHIYSQQ-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@H](CCNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCCCC1 ZINC000419719826 381478367 /nfs/dbraw/zinc/47/83/67/381478367.db2.gz XUXMWTJKIQUQMQ-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419574766 381455647 /nfs/dbraw/zinc/45/56/47/381455647.db2.gz ABBDQCSFULTPRV-LALPHHSUSA-N 1 3 328.482 -0.346 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[N@H+](C)C1CC1 ZINC000419589713 381459506 /nfs/dbraw/zinc/45/95/06/381459506.db2.gz PLXOUBYFWKEVRD-MDZLAQPJSA-N 1 3 326.441 -0.186 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[N@@H+](C)C1CC1 ZINC000419589713 381459508 /nfs/dbraw/zinc/45/95/08/381459508.db2.gz PLXOUBYFWKEVRD-MDZLAQPJSA-N 1 3 326.441 -0.186 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419672636 381467963 /nfs/dbraw/zinc/46/79/63/381467963.db2.gz GMMSRZRJRVWXPF-UONOGXRCSA-N 1 3 328.457 -0.295 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419672638 381468450 /nfs/dbraw/zinc/46/84/50/381468450.db2.gz GMMSRZRJRVWXPF-ZIAGYGMSSA-N 1 3 328.457 -0.295 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419891091 381518774 /nfs/dbraw/zinc/51/87/74/381518774.db2.gz MUVXTDFAKGSCLQ-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000349904810 381492697 /nfs/dbraw/zinc/49/26/97/381492697.db2.gz KMZFYKVKTMUICX-OAHLLOKOSA-N 1 3 328.457 -0.289 20 0 EBADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419811735 381497062 /nfs/dbraw/zinc/49/70/62/381497062.db2.gz DJCGXENGVPHGFF-UHFFFAOYSA-N 1 3 328.457 -0.342 20 0 EBADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419811735 381497067 /nfs/dbraw/zinc/49/70/67/381497067.db2.gz DJCGXENGVPHGFF-UHFFFAOYSA-N 1 3 328.457 -0.342 20 0 EBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCNC[C@@H]2C)CC1 ZINC000419837266 381501194 /nfs/dbraw/zinc/50/11/94/381501194.db2.gz WLEAJOAQFZRMBM-GJZGRUSLSA-N 1 3 339.484 -0.804 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420115573 381541943 /nfs/dbraw/zinc/54/19/43/381541943.db2.gz KJVZZBATMZDNJN-GJZGRUSLSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420150198 381549098 /nfs/dbraw/zinc/54/90/98/381549098.db2.gz WPWGCHMNNXAEBG-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000420172397 381571404 /nfs/dbraw/zinc/57/14/04/381571404.db2.gz UDJDGXIRXZZKRJ-UHFFFAOYSA-N 1 3 340.468 -0.327 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000571985859 381632379 /nfs/dbraw/zinc/63/23/79/381632379.db2.gz DPXMBINMFSEZNS-UONOGXRCSA-N 1 3 325.457 -0.922 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCO1 ZINC000332192195 381762135 /nfs/dbraw/zinc/76/21/35/381762135.db2.gz QSCUVMXXKQKKAC-GBJTYRQASA-N 1 3 338.452 -0.639 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCO1 ZINC000643492789 381822118 /nfs/dbraw/zinc/82/21/18/381822118.db2.gz FZRGHYXAKPSEAL-SOUVJXGZSA-N 1 3 338.452 -0.352 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643509770 381927945 /nfs/dbraw/zinc/92/79/45/381927945.db2.gz SCFMJUCNMPGQHS-GJZGRUSLSA-N 1 3 339.484 -0.851 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643511177 381963398 /nfs/dbraw/zinc/96/33/98/381963398.db2.gz KMHHAHSYZFCGOH-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)CCOCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418074006 382118081 /nfs/dbraw/zinc/11/80/81/382118081.db2.gz XFXGHQQIZDMEAP-CQSZACIVSA-N 1 3 343.472 -0.406 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(=O)n(C)c(=O)n1C ZINC000179253913 154123228 /nfs/dbraw/zinc/12/32/28/154123228.db2.gz BCWRSQNBJHACAF-UHFFFAOYSA-N 1 3 337.468 -0.458 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000342038240 156000022 /nfs/dbraw/zinc/00/00/22/156000022.db2.gz NLBQAQHFAYKEOE-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000343006093 156084267 /nfs/dbraw/zinc/08/42/67/156084267.db2.gz JHWSRBXBGLGDSP-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000343824184 156170851 /nfs/dbraw/zinc/17/08/51/156170851.db2.gz ARORLTSCNKRHAJ-HUUCEWRRSA-N 1 3 340.468 -0.105 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000343824184 156170856 /nfs/dbraw/zinc/17/08/56/156170856.db2.gz ARORLTSCNKRHAJ-HUUCEWRRSA-N 1 3 340.468 -0.105 20 0 EBADHO CN(CCCN(C)CC(=O)N1CCC[C@H](C(N)=O)C1)CC[NH+](C)C ZINC000344033893 156198993 /nfs/dbraw/zinc/19/89/93/156198993.db2.gz GBFVCOWFVHLBMJ-HNNXBMFYSA-N 1 3 341.500 -0.474 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344441751 156229393 /nfs/dbraw/zinc/22/93/93/156229393.db2.gz OIMIRDBZTXTOCS-CQSZACIVSA-N 1 3 340.468 -0.199 20 0 EBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344620583 156248093 /nfs/dbraw/zinc/24/80/93/156248093.db2.gz JRGFIFFVRJFDGN-OAHLLOKOSA-N 1 3 340.468 -0.593 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000357904736 157184934 /nfs/dbraw/zinc/18/49/34/157184934.db2.gz HHCJYCIEOCEJQW-GJZGRUSLSA-N 1 3 334.420 -0.683 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000357933992 157188998 /nfs/dbraw/zinc/18/89/98/157188998.db2.gz RYAUEBIQENTNTM-HUUCEWRRSA-N 1 3 334.420 -0.683 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000358702373 157271522 /nfs/dbraw/zinc/27/15/22/157271522.db2.gz JNUHNWBETZSWCM-ZOBUZTSGSA-N 1 3 340.468 -0.270 20 0 EBADHO CCN(CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1)C1CC1 ZINC000359293416 157312125 /nfs/dbraw/zinc/31/21/25/157312125.db2.gz SAORXHVKXLWJGJ-UHFFFAOYSA-N 1 3 340.468 -0.593 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000518387209 419023819 /nfs/dbraw/zinc/02/38/19/419023819.db2.gz QRFREBSVWIZTES-UHFFFAOYSA-N 1 3 328.457 -0.390 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000410506269 419034422 /nfs/dbraw/zinc/03/44/22/419034422.db2.gz XGBUEXWAELPPKY-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000410506269 419034425 /nfs/dbraw/zinc/03/44/25/419034425.db2.gz XGBUEXWAELPPKY-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000647593748 419121196 /nfs/dbraw/zinc/12/11/96/419121196.db2.gz DRVYEOFOSOSEJU-MELADBBJSA-N 1 3 328.457 -0.155 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000647594197 419121211 /nfs/dbraw/zinc/12/12/11/419121211.db2.gz PIPXCAFZNAIKGK-MJBXVCDLSA-N 1 3 339.484 -0.487 20 0 EBADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643775855 419053100 /nfs/dbraw/zinc/05/31/00/419053100.db2.gz DLMOKDJIJJFDMY-CABCVRRESA-N 1 3 340.468 -0.105 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCCO1 ZINC000652668707 419247516 /nfs/dbraw/zinc/24/75/16/419247516.db2.gz KCNHVMJNZPIWMC-AWEZNQCLSA-N 1 3 340.468 -0.151 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000338746005 419254454 /nfs/dbraw/zinc/25/44/54/419254454.db2.gz PQDBJRDBQVBIDA-KRWDZBQOSA-N 1 3 349.483 -0.138 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000338746005 419254457 /nfs/dbraw/zinc/25/44/57/419254457.db2.gz PQDBJRDBQVBIDA-KRWDZBQOSA-N 1 3 349.483 -0.138 20 0 EBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652621952 419241482 /nfs/dbraw/zinc/24/14/82/419241482.db2.gz ZFOPKFMGNKQTLD-STQMWFEESA-N 1 3 336.440 -0.031 20 0 EBADHO CCCN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000652621470 419241704 /nfs/dbraw/zinc/24/17/04/419241704.db2.gz LDPVNEOABDXCFA-CQSZACIVSA-N 1 3 336.440 -0.016 20 0 EBADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000652621642 419241716 /nfs/dbraw/zinc/24/17/16/419241716.db2.gz QFDGMFUOVRQBNG-LBPRGKRZSA-N 1 3 336.440 -0.031 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000652623216 419242067 /nfs/dbraw/zinc/24/20/67/419242067.db2.gz CSFXBRTWESZTDI-OCCSQVGLSA-N 1 3 334.424 -0.406 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000645233289 419300492 /nfs/dbraw/zinc/30/04/92/419300492.db2.gz KWYPNQORCPCCCY-UONOGXRCSA-N 1 3 341.456 -0.532 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)C[C@H]1C[NH3+] ZINC000652727287 419320442 /nfs/dbraw/zinc/32/04/42/419320442.db2.gz JYKZZEBVAHJRTI-RBSFLKMASA-N 1 3 340.468 -0.391 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652728517 419322769 /nfs/dbraw/zinc/32/27/69/419322769.db2.gz NXYPOISKUCHYHV-HUUCEWRRSA-N 1 3 340.468 -0.249 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000187707346 419374318 /nfs/dbraw/zinc/37/43/18/419374318.db2.gz BTSGITNHQFXGHA-UHFFFAOYSA-N 1 3 336.440 -0.064 20 0 EBADHO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN(C)C(C)C)CC1=O ZINC000341294513 419386095 /nfs/dbraw/zinc/38/60/95/419386095.db2.gz ATAIIXIBYWQMRA-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CN(C)C(C)C)CC1=O ZINC000341294513 419386099 /nfs/dbraw/zinc/38/60/99/419386099.db2.gz ATAIIXIBYWQMRA-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346537427 419488857 /nfs/dbraw/zinc/48/88/57/419488857.db2.gz UICBIRSNWXEMQG-UKRRQHHQSA-N 1 3 340.468 -0.378 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)CC1 ZINC000416285822 419427807 /nfs/dbraw/zinc/42/78/07/419427807.db2.gz ADBMTFVFYNRQAR-HZPDHXFCSA-N 1 3 326.485 -0.073 20 0 EBADHO Cc1nn(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000526131768 419596157 /nfs/dbraw/zinc/59/61/57/419596157.db2.gz WCSFZKNDYUSLMM-UHFFFAOYSA-N 1 3 338.456 -0.073 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000659689044 419698122 /nfs/dbraw/zinc/69/81/22/419698122.db2.gz QGOCUXVGWPCESE-UHFFFAOYSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419949029 419829279 /nfs/dbraw/zinc/82/92/79/419829279.db2.gz KSMNYAOTTMYVJJ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000420021811 419839116 /nfs/dbraw/zinc/83/91/16/419839116.db2.gz IRHTXLRAXDYYIB-KDOFPFPSSA-N 1 3 348.447 -0.455 20 0 EBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423206528 419924129 /nfs/dbraw/zinc/92/41/29/419924129.db2.gz GAPXFRGNLSPKFN-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423267509 419929271 /nfs/dbraw/zinc/92/92/71/419929271.db2.gz TVWGXMSJOUQCSB-INIZCTEOSA-N 1 3 326.441 -0.765 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423262671 419927249 /nfs/dbraw/zinc/92/72/49/419927249.db2.gz NCRYASCLOCNRJJ-GJZGRUSLSA-N 1 3 342.484 -0.001 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000515158205 419979208 /nfs/dbraw/zinc/97/92/08/419979208.db2.gz KZTRTBZVAYZYFI-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673291 419985345 /nfs/dbraw/zinc/98/53/45/419985345.db2.gz SXHFYXULKWZPJL-LSDHHAIUSA-N 1 3 335.452 -0.043 20 0 EBADHO CC[C@@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000515794600 419986486 /nfs/dbraw/zinc/98/64/86/419986486.db2.gz ABZAUTPIQMRRRZ-KRWDZBQOSA-N 1 3 342.484 -0.034 20 0 EBADHO CCN1CCN(CCCC[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000516276769 420510661 /nfs/dbraw/zinc/51/06/61/420510661.db2.gz LRIBXXOBYZYYIQ-KRWDZBQOSA-N 1 3 328.501 -0.313 20 0 EBADHO COC[C@]1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCC[NH2+]1 ZINC000516174734 420511076 /nfs/dbraw/zinc/51/10/76/420511076.db2.gz RZVBUMVIOPWMAP-SQWLQELKSA-N 1 3 336.440 -0.375 20 0 EBADHO COC1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000646181082 420540194 /nfs/dbraw/zinc/54/01/94/420540194.db2.gz UNIMKLOGXUHJAG-AWEZNQCLSA-N 1 3 326.441 -0.528 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000516570617 420662172 /nfs/dbraw/zinc/66/21/72/420662172.db2.gz CGSQAFGSFSMGAT-CHWSQXEVSA-N 1 3 349.435 -0.019 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNS(C)(=O)=O ZINC000523009415 420724504 /nfs/dbraw/zinc/72/45/04/420724504.db2.gz AOSCGPJZCJRAGH-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNS(C)(=O)=O ZINC000523009415 420724509 /nfs/dbraw/zinc/72/45/09/420724509.db2.gz AOSCGPJZCJRAGH-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CCN1CCN(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000649350640 420803939 /nfs/dbraw/zinc/80/39/39/420803939.db2.gz VFEHDHFWMDBTOM-UHFFFAOYSA-N 1 3 334.468 -0.285 20 0 EBADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655909215 420857222 /nfs/dbraw/zinc/85/72/22/420857222.db2.gz COGCXPKRDQTIPV-UONOGXRCSA-N 1 3 347.423 -0.831 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659549507 421003831 /nfs/dbraw/zinc/00/38/31/421003831.db2.gz LUEDOSCAOCNCTA-CYBMUJFWSA-N 1 3 329.445 -0.974 20 0 EBADHO CN1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000659609458 421005184 /nfs/dbraw/zinc/00/51/84/421005184.db2.gz WKSMCLCILXNNMY-GJZGRUSLSA-N 1 3 325.457 -0.476 20 0 EBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000659681818 421013954 /nfs/dbraw/zinc/01/39/54/421013954.db2.gz ATBYFQLGNQEZJT-FVRSWCFKSA-N 1 3 349.479 -0.861 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000659689683 421015607 /nfs/dbraw/zinc/01/56/07/421015607.db2.gz HMJZRPSSNNFBSB-ZDUSSCGKSA-N 1 3 336.436 -0.033 20 0 EBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659722335 421020846 /nfs/dbraw/zinc/02/08/46/421020846.db2.gz DMXGTXROTGOSMW-STQMWFEESA-N 1 3 326.441 -0.530 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662724358 421097551 /nfs/dbraw/zinc/09/75/51/421097551.db2.gz OEIZDFVDNXSFRR-CVEARBPZSA-N 1 3 348.447 -0.042 20 0 EBADHO CN(C(=O)CN1CCNCC1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900736 421106752 /nfs/dbraw/zinc/10/67/52/421106752.db2.gz PJVZZEVKRIBWLC-OAHLLOKOSA-N 1 3 337.468 -0.955 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)C1 ZINC000662932002 421112456 /nfs/dbraw/zinc/11/24/56/421112456.db2.gz LPCMEEOYUMOGMI-CSLYMUCUSA-N 1 3 349.479 -0.826 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCO1 ZINC000662948724 421116506 /nfs/dbraw/zinc/11/65/06/421116506.db2.gz ZWYDUECUYSUCPP-CABCVRRESA-N 1 3 340.468 -0.105 20 0 EBADHO CN(CCOCC[N@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661612900 421072343 /nfs/dbraw/zinc/07/23/43/421072343.db2.gz OWKZQBARFVQHTF-HZPDHXFCSA-N 1 3 332.441 -0.303 20 0 EBADHO CN(CCOCC[N@@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661612900 421072347 /nfs/dbraw/zinc/07/23/47/421072347.db2.gz OWKZQBARFVQHTF-HZPDHXFCSA-N 1 3 332.441 -0.303 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446800774 421177517 /nfs/dbraw/zinc/17/75/17/421177517.db2.gz FFNVKZBSOWQLRW-OCCSQVGLSA-N 1 3 348.451 -0.018 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000341821741 421192544 /nfs/dbraw/zinc/19/25/44/421192544.db2.gz AZXKHANWRJROLO-KRWDZBQOSA-N 1 3 348.451 -0.063 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000341821741 421192546 /nfs/dbraw/zinc/19/25/46/421192546.db2.gz AZXKHANWRJROLO-KRWDZBQOSA-N 1 3 348.451 -0.063 20 0 EBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000331732253 421197042 /nfs/dbraw/zinc/19/70/42/421197042.db2.gz RCEMTNKCKCPYAM-CQSZACIVSA-N 1 3 348.451 0.251 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876452 264901304 /nfs/dbraw/zinc/90/13/04/264901304.db2.gz VQZQFTKNIMNGCB-UHFFFAOYSA-N 1 3 341.500 -0.556 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423216625 264989663 /nfs/dbraw/zinc/98/96/63/264989663.db2.gz RZBRQJFFQDGPTO-RRFJBIMHSA-N 1 3 340.468 -0.249 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423262427 264993310 /nfs/dbraw/zinc/99/33/10/264993310.db2.gz MLVNEJOEKAUNHQ-UHFFFAOYSA-N 1 3 340.468 -0.375 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423716743 265035479 /nfs/dbraw/zinc/03/54/79/265035479.db2.gz IXYMQAUGMYSWLX-LBPRGKRZSA-N 1 3 335.408 -0.456 20 0 EBADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCCOCCN(C)C)CC[NH2+]CC2 ZINC000424518389 265071739 /nfs/dbraw/zinc/07/17/39/265071739.db2.gz HTFUBWXGFNFPNX-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CNC[C@H]2CCCO2)CC1 ZINC000430714149 265152036 /nfs/dbraw/zinc/15/20/36/265152036.db2.gz MUVROYUYIYSBEU-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@H](C[NH3+])C2)c1 ZINC000430938012 265156028 /nfs/dbraw/zinc/15/60/28/265156028.db2.gz GJYLOOQTPVIXLB-LLVKDONJSA-N 1 3 326.422 -0.057 20 0 EBADHO C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC000455430143 265430527 /nfs/dbraw/zinc/43/05/27/265430527.db2.gz JKFNNDDNTSNDDW-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419973012 272816446 /nfs/dbraw/zinc/81/64/46/272816446.db2.gz HDFWFEOKVZICMW-KGLIPLIRSA-N 1 3 328.457 -0.473 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339637400 289137112 /nfs/dbraw/zinc/13/71/12/289137112.db2.gz ZUAOIYORDXLBHB-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO NC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)Cc2ccccc2C1 ZINC000377130727 295234057 /nfs/dbraw/zinc/23/40/57/295234057.db2.gz YEADEZLHVZMUGZ-OAHLLOKOSA-N 1 3 330.432 -0.204 20 0 EBADHO C[C@@H](NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000672009167 546078410 /nfs/dbraw/zinc/07/84/10/546078410.db2.gz YXZIRVYJBDXDBP-UKRRQHHQSA-N 1 3 340.468 -0.378 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000681167406 546300573 /nfs/dbraw/zinc/30/05/73/546300573.db2.gz MGSJSULRSZFLFV-WNRNVDISSA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000681167406 546300575 /nfs/dbraw/zinc/30/05/75/546300575.db2.gz MGSJSULRSZFLFV-WNRNVDISSA-N 1 3 336.432 -0.458 20 0 EBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516916787 582628606 /nfs/dbraw/zinc/62/86/06/582628606.db2.gz SUJLSVYJLHVQJB-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C3CN([C@@H]4CCOC4)C3)C2)CC1 ZINC000896324536 582662148 /nfs/dbraw/zinc/66/21/48/582662148.db2.gz DSSFMCVGHNTNMZ-DOTOQJQBSA-N 1 3 336.480 -0.008 20 0 EBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C3CN([C@@H]4CCOC4)C3)C2)CC1 ZINC000896324536 582662151 /nfs/dbraw/zinc/66/21/51/582662151.db2.gz DSSFMCVGHNTNMZ-DOTOQJQBSA-N 1 3 336.480 -0.008 20 0 EBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C3CN([C@@H]4CCOC4)C3)C2)CC1 ZINC000896324536 582662153 /nfs/dbraw/zinc/66/21/53/582662153.db2.gz DSSFMCVGHNTNMZ-DOTOQJQBSA-N 1 3 336.480 -0.008 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)C2 ZINC000903490959 582809210 /nfs/dbraw/zinc/80/92/10/582809210.db2.gz OSYAEUSBYJALRO-CGEFAEBTSA-N 1 3 339.436 -0.166 20 0 EBADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903741556 582816637 /nfs/dbraw/zinc/81/66/37/582816637.db2.gz GPZRDHYDCDLSCS-CQSZACIVSA-N 1 3 340.468 -0.249 20 0 EBADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000838301521 583053495 /nfs/dbraw/zinc/05/34/95/583053495.db2.gz FCRAQDKWBBFHNP-BZUAXINKSA-N 1 3 340.468 -0.004 20 0 EBADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000838301521 583053499 /nfs/dbraw/zinc/05/34/99/583053499.db2.gz FCRAQDKWBBFHNP-BZUAXINKSA-N 1 3 340.468 -0.004 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000764500992 583273203 /nfs/dbraw/zinc/27/32/03/583273203.db2.gz BBIDXINJIGFNEB-CYBMUJFWSA-N 1 3 327.498 -0.339 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000774431146 583384517 /nfs/dbraw/zinc/38/45/17/583384517.db2.gz KDBAWUNLFPTNTC-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059231 583640811 /nfs/dbraw/zinc/64/08/11/583640811.db2.gz IFMIRZRNABDKMV-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804059231 583640814 /nfs/dbraw/zinc/64/08/14/583640814.db2.gz IFMIRZRNABDKMV-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000817996056 583733393 /nfs/dbraw/zinc/73/33/93/583733393.db2.gz SGLNJNBBHXGSOF-HIFRSBDPSA-N 1 3 329.404 -0.450 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)COC1CC[NH+](C)CC1 ZINC000825224313 583856539 /nfs/dbraw/zinc/85/65/39/583856539.db2.gz VDDZKEKNAASJNY-UHFFFAOYSA-N 1 3 328.457 -0.424 20 0 EBADHO C[C@]1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC[NH2+]C1 ZINC000842163957 584058621 /nfs/dbraw/zinc/05/86/21/584058621.db2.gz CRXMIPTXOXYTBX-KEYYUXOJSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170625 584089267 /nfs/dbraw/zinc/08/92/67/584089267.db2.gz KJUXGOKEUSXGIL-ZBFHGGJFSA-N 1 3 340.468 -0.155 20 0 EBADHO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000844181045 584090128 /nfs/dbraw/zinc/09/01/28/584090128.db2.gz NIUZGOJVXOISBD-OAHLLOKOSA-N 1 3 338.452 -0.478 20 0 EBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000863757016 584376975 /nfs/dbraw/zinc/37/69/75/584376975.db2.gz RHJMMHANDMVPAE-KBPBESRZSA-N 1 3 325.457 -0.970 20 0 EBADHO O=C(CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710907 584404127 /nfs/dbraw/zinc/40/41/27/584404127.db2.gz XKCFQRZPRUEWKF-MJBXVCDLSA-N 1 3 338.408 -0.898 20 0 EBADHO O=C(N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@@]1(F)CCNC1 ZINC000872263783 584460661 /nfs/dbraw/zinc/46/06/61/584460661.db2.gz FTOVMHAXUJFCHC-TYNCELHUSA-N 1 3 326.372 -0.528 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000874171080 584479950 /nfs/dbraw/zinc/47/99/50/584479950.db2.gz BCXWHLQCDGOVRT-ZIAGYGMSSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC000874171080 584479952 /nfs/dbraw/zinc/47/99/52/584479952.db2.gz BCXWHLQCDGOVRT-ZIAGYGMSSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000874171078 584480014 /nfs/dbraw/zinc/48/00/14/584480014.db2.gz BCXWHLQCDGOVRT-KGLIPLIRSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC000874171078 584480016 /nfs/dbraw/zinc/48/00/16/584480016.db2.gz BCXWHLQCDGOVRT-KGLIPLIRSA-N 1 3 348.451 -0.064 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875088155 584489377 /nfs/dbraw/zinc/48/93/77/584489377.db2.gz YKDGDXFMNJRIGU-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875088155 584489378 /nfs/dbraw/zinc/48/93/78/584489378.db2.gz YKDGDXFMNJRIGU-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CN1CCN(C2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000875524399 584500213 /nfs/dbraw/zinc/50/02/13/584500213.db2.gz VOUACWDHJRUNBD-UHFFFAOYSA-N 1 3 341.500 -0.014 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752777 584522003 /nfs/dbraw/zinc/52/20/03/584522003.db2.gz YNBLSYNUPYJGEL-HIFRSBDPSA-N 1 3 328.432 -0.053 20 0 EBADHO OC[C@H]1CN(C[C@H](C[N@@H+]2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702591 584543940 /nfs/dbraw/zinc/54/39/40/584543940.db2.gz ICSLNYMOOLSNJY-JCECYMMASA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@H]1CN(C[C@H](C[N@H+]2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702591 584543944 /nfs/dbraw/zinc/54/39/44/584543944.db2.gz ICSLNYMOOLSNJY-JCECYMMASA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@H]1C[N@H+](C[C@H](CN2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702591 584543945 /nfs/dbraw/zinc/54/39/45/584543945.db2.gz ICSLNYMOOLSNJY-JCECYMMASA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@H]1C[N@@H+](C[C@H](CN2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702591 584543948 /nfs/dbraw/zinc/54/39/48/584543948.db2.gz ICSLNYMOOLSNJY-JCECYMMASA-N 1 3 342.480 -0.637 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000884508076 584625041 /nfs/dbraw/zinc/62/50/41/584625041.db2.gz TZEWCPOYSKNTLW-ZIAGYGMSSA-N 1 3 339.484 -0.818 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884587465 584628979 /nfs/dbraw/zinc/62/89/79/584628979.db2.gz JJVIQIAULSTBMT-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000884612326 584629973 /nfs/dbraw/zinc/62/99/73/584629973.db2.gz JKSBCTGJQPTGRC-IUODEOHRSA-N 1 3 328.482 -0.250 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884637651 584630570 /nfs/dbraw/zinc/63/05/70/584630570.db2.gz WJDXSGNIQVWYDR-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCCN(C)CCOC)CC1 ZINC000884637597 584630677 /nfs/dbraw/zinc/63/06/77/584630677.db2.gz UCZRRUNKLHBEJV-UHFFFAOYSA-N 1 3 328.457 -0.199 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884669762 584632594 /nfs/dbraw/zinc/63/25/94/584632594.db2.gz GFNMAIXNSDWKQE-ILXRZTDVSA-N 1 3 339.484 -0.676 20 0 EBADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884725189 584636424 /nfs/dbraw/zinc/63/64/24/584636424.db2.gz AJXVUGLZYMCSER-MFOWVQHXSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000884726654 584636563 /nfs/dbraw/zinc/63/65/63/584636563.db2.gz YXIVTSUYPQVZFQ-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911004123 650144741 /nfs/dbraw/zinc/14/47/41/650144741.db2.gz NBYRUOTXHISKOK-UONOGXRCSA-N 1 3 340.468 -0.343 20 0 EBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000911148444 650154430 /nfs/dbraw/zinc/15/44/30/650154430.db2.gz OILIPVQMGOISRT-ZNMIVQPWSA-N 1 3 338.452 -0.434 20 0 EBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000911149576 650154824 /nfs/dbraw/zinc/15/48/24/650154824.db2.gz XWQCPTIAQPBESH-QRTUWBSPSA-N 1 3 336.436 -0.696 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911177538 650157053 /nfs/dbraw/zinc/15/70/53/650157053.db2.gz URYGAMDILQZCDJ-MRXNPFEDSA-N 1 3 326.441 -0.575 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CCSC1 ZINC000911199070 650158984 /nfs/dbraw/zinc/15/89/84/650158984.db2.gz JUSQNYYIXYYRRM-RCBQFDQVSA-N 1 3 340.493 -0.120 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCSC1 ZINC000911200585 650158988 /nfs/dbraw/zinc/15/89/88/650158988.db2.gz QBMREAJDFWNNPO-ZAZJYDDPSA-N 1 3 326.466 -0.451 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCSC1 ZINC000911199644 650159088 /nfs/dbraw/zinc/15/90/88/650159088.db2.gz LQBLBWZRVVECIZ-TYNCELHUSA-N 1 3 328.482 -0.217 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911256425 650163444 /nfs/dbraw/zinc/16/34/44/650163444.db2.gz XNLBZVXXLKALSX-TZMCWYRMSA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)CN1CCN(C)CC1 ZINC000911270503 650164927 /nfs/dbraw/zinc/16/49/27/650164927.db2.gz XXQPYQAZAJRULK-KGLIPLIRSA-N 1 3 339.484 -0.900 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911270535 650164935 /nfs/dbraw/zinc/16/49/35/650164935.db2.gz YJFHUKLDECHGHE-RRFJBIMHSA-N 1 3 339.484 -0.818 20 0 EBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414815 650180824 /nfs/dbraw/zinc/18/08/24/650180824.db2.gz QNMRYSBYTPIHBV-HNNXBMFYSA-N 1 3 339.484 -0.533 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506590 650188976 /nfs/dbraw/zinc/18/89/76/650188976.db2.gz PCUUCYOJMKJPIY-UHFFFAOYSA-N 1 3 338.452 -0.303 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911541003 650192074 /nfs/dbraw/zinc/19/20/74/650192074.db2.gz DGGGULZXJKHJDG-GBJTYRQASA-N 1 3 338.452 -0.435 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528446 650190609 /nfs/dbraw/zinc/19/06/09/650190609.db2.gz ONQFJTXMJGASDO-KGLIPLIRSA-N 1 3 340.468 -0.330 20 0 EBADHO CCN1CC[C@H]1CNC(=O)CC(O)CC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922159338 650329866 /nfs/dbraw/zinc/32/98/66/650329866.db2.gz PJLVOKQJQRSHOV-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO CCN1CC[C@H]1CNC(=O)CC(O)CC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922159338 650329868 /nfs/dbraw/zinc/32/98/68/650329868.db2.gz PJLVOKQJQRSHOV-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923343684 650338053 /nfs/dbraw/zinc/33/80/53/650338053.db2.gz FGMXXYPXFOXSTE-JYJNAYRXSA-N 1 3 343.468 -0.138 20 0 EBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000923398750 650338722 /nfs/dbraw/zinc/33/87/22/650338722.db2.gz LUEUCMWDVOPQBI-KFWWJZLASA-N 1 3 335.408 -0.499 20 0 EBADHO CC(C)COC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416535 650339428 /nfs/dbraw/zinc/33/94/28/650339428.db2.gz YOGMOVMRUAHJGV-YJNKXOJESA-N 1 3 327.425 -0.113 20 0 EBADHO O=C(CN1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923606554 650346500 /nfs/dbraw/zinc/34/65/00/650346500.db2.gz YTGPVLMPCXWYNN-AWEZNQCLSA-N 1 3 344.481 -0.692 20 0 EBADHO COCCN(CC1CCN(C)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923663103 650351464 /nfs/dbraw/zinc/35/14/64/650351464.db2.gz WLHLHGRHWPONCA-UHFFFAOYSA-N 1 3 334.486 -0.573 20 0 EBADHO O=S(=O)(NCc1ccncc1O[C@H]1CC[NH2+]C1)N1CCNCC1 ZINC000923669561 650352125 /nfs/dbraw/zinc/35/21/25/650352125.db2.gz GZGOQHAIIAQPRZ-ZDUSSCGKSA-N 1 3 341.437 -0.938 20 0 EBADHO CN(C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924562441 650365118 /nfs/dbraw/zinc/36/51/18/650365118.db2.gz ZESIUZZYEQZTCY-NWDGAFQWSA-N 1 3 325.413 -0.944 20 0 EBADHO CN(C)C[C@H]1NC(=O)N(CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924562441 650365124 /nfs/dbraw/zinc/36/51/24/650365124.db2.gz ZESIUZZYEQZTCY-NWDGAFQWSA-N 1 3 325.413 -0.944 20 0 EBADHO C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925408810 650377528 /nfs/dbraw/zinc/37/75/28/650377528.db2.gz BLUHFSIPPMTYHH-PMPSAXMXSA-N 1 3 339.484 -0.263 20 0 EBADHO C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925408810 650377529 /nfs/dbraw/zinc/37/75/29/650377529.db2.gz BLUHFSIPPMTYHH-PMPSAXMXSA-N 1 3 339.484 -0.263 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926332050 650386638 /nfs/dbraw/zinc/38/66/38/650386638.db2.gz HPALVMKOTKQDEL-QGZVFWFLSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@@H](C)C1 ZINC000926347934 650388122 /nfs/dbraw/zinc/38/81/22/650388122.db2.gz PABOELSQPNPCDL-GJZGRUSLSA-N 1 3 339.484 -0.804 20 0 EBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@@H](C)C1 ZINC000926347934 650388124 /nfs/dbraw/zinc/38/81/24/650388124.db2.gz PABOELSQPNPCDL-GJZGRUSLSA-N 1 3 339.484 -0.804 20 0 EBADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926349167 650388452 /nfs/dbraw/zinc/38/84/52/650388452.db2.gz YULIHIUWHXHJBS-UHFFFAOYSA-N 1 3 337.468 -0.905 20 0 EBADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000927634541 651504277 /nfs/dbraw/zinc/50/42/77/651504277.db2.gz VORPQNCWLUXYCW-OWCLPIDISA-N 1 3 338.452 -0.300 20 0 EBADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000927634541 651504279 /nfs/dbraw/zinc/50/42/79/651504279.db2.gz VORPQNCWLUXYCW-OWCLPIDISA-N 1 3 338.452 -0.300 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631542 651504882 /nfs/dbraw/zinc/50/48/82/651504882.db2.gz UILOFKNEBRYMCT-GJZGRUSLSA-N 1 3 326.441 -0.395 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927631542 651504885 /nfs/dbraw/zinc/50/48/85/651504885.db2.gz UILOFKNEBRYMCT-GJZGRUSLSA-N 1 3 326.441 -0.395 20 0 EBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927638964 651505729 /nfs/dbraw/zinc/50/57/29/651505729.db2.gz FZNPCHLHSMURCS-GDBMZVCRSA-N 1 3 328.457 -0.149 20 0 EBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927638966 651506160 /nfs/dbraw/zinc/50/61/60/651506160.db2.gz FZNPCHLHSMURCS-HOCLYGCPSA-N 1 3 328.457 -0.149 20 0 EBADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C)N1CC[NH+](C)CC1 ZINC000929305936 651541604 /nfs/dbraw/zinc/54/16/04/651541604.db2.gz ZQGFEQFYTWESJK-HUUCEWRRSA-N 1 3 339.484 -0.805 20 0 EBADHO CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000946933017 653277339 /nfs/dbraw/zinc/27/73/39/653277339.db2.gz QJQYTIDGMZQYMM-CQSZACIVSA-N 1 3 338.452 -0.744 20 0 EBADHO COCCN1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171528 722318083 /nfs/dbraw/zinc/31/80/83/722318083.db2.gz KDQWAISMHBJAAH-CABCVRRESA-N 1 3 325.453 -0.082 20 0 EBADHO COCCN1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958467388 722371333 /nfs/dbraw/zinc/37/13/33/722371333.db2.gz HRBGMTXRUXHJFM-ZFWWWQNUSA-N 1 3 339.440 -0.886 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959915153 722774811 /nfs/dbraw/zinc/77/48/11/722774811.db2.gz RNZFRPNELMHPGI-LISAXSMJSA-N 1 3 346.475 -0.003 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC000960169833 722802474 /nfs/dbraw/zinc/80/24/74/722802474.db2.gz CARXPZFTIJOBKB-QXSJWSMHSA-N 1 3 349.479 -0.068 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC000960169833 722802476 /nfs/dbraw/zinc/80/24/76/722802476.db2.gz CARXPZFTIJOBKB-QXSJWSMHSA-N 1 3 349.479 -0.068 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000961603459 723044317 /nfs/dbraw/zinc/04/43/17/723044317.db2.gz ZDSGVFJUXKWEMB-RFBLXINOSA-N 1 3 349.479 -0.212 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC000961603459 723044320 /nfs/dbraw/zinc/04/43/20/723044320.db2.gz ZDSGVFJUXKWEMB-RFBLXINOSA-N 1 3 349.479 -0.212 20 0 EBADHO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000963839750 723498771 /nfs/dbraw/zinc/49/87/71/723498771.db2.gz XFIMMEYKXANYNU-FZOOGMQUSA-N 1 3 336.436 -0.648 20 0 EBADHO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000964415466 724006213 /nfs/dbraw/zinc/00/62/13/724006213.db2.gz HJGXPMRTRFTRGY-QHDAHCBISA-N 1 3 348.447 -0.648 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019384251 728875621 /nfs/dbraw/zinc/87/56/21/728875621.db2.gz XWCKUTGQFIEEBK-STQMWFEESA-N 1 3 337.424 -0.930 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)N(C)C ZINC000969090241 725150600 /nfs/dbraw/zinc/15/06/00/725150600.db2.gz QWVNWDBKBDQOHT-RDBSUJKOSA-N 1 3 338.452 -0.890 20 0 EBADHO O=C(N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969197495 725160954 /nfs/dbraw/zinc/16/09/54/725160954.db2.gz KKYLHORLZNCQIF-CHWSQXEVSA-N 1 3 334.420 -0.390 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC000969418085 725178510 /nfs/dbraw/zinc/17/85/10/725178510.db2.gz CLGBPEIYPVQBJX-GBOPCIDUSA-N 1 3 349.435 -0.711 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC000969418085 725178511 /nfs/dbraw/zinc/17/85/11/725178511.db2.gz CLGBPEIYPVQBJX-GBOPCIDUSA-N 1 3 349.435 -0.711 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590030 728932813 /nfs/dbraw/zinc/93/28/13/728932813.db2.gz KUHKZNUKRZTVKI-UKRRQHHQSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590030 728932815 /nfs/dbraw/zinc/93/28/15/728932815.db2.gz KUHKZNUKRZTVKI-UKRRQHHQSA-N 1 3 349.435 -0.362 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000969723407 725206770 /nfs/dbraw/zinc/20/67/70/725206770.db2.gz YKHGHYLZFKAVSH-FQUUOJAGSA-N 1 3 336.436 -0.288 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC000969723407 725206771 /nfs/dbraw/zinc/20/67/71/725206771.db2.gz YKHGHYLZFKAVSH-FQUUOJAGSA-N 1 3 336.436 -0.288 20 0 EBADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000969964132 725232984 /nfs/dbraw/zinc/23/29/84/725232984.db2.gz CQZNYUMDNYSPFT-CQSZACIVSA-N 1 3 337.468 -0.066 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)N(C)C ZINC000969986042 725235269 /nfs/dbraw/zinc/23/52/69/725235269.db2.gz PVOFMAQPVOVLNZ-KGLIPLIRSA-N 1 3 346.497 -0.447 20 0 EBADHO CN(CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001051654968 735295845 /nfs/dbraw/zinc/29/58/45/735295845.db2.gz BKCQOOWFSDIAON-GJZGRUSLSA-N 1 3 338.452 -0.482 20 0 EBADHO O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000993582075 725911984 /nfs/dbraw/zinc/91/19/84/725911984.db2.gz UBLYLGYVTNTLPT-CABCVRRESA-N 1 3 348.447 -0.728 20 0 EBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC000996354943 726372467 /nfs/dbraw/zinc/37/24/67/726372467.db2.gz JXUAJEGGCXZQTH-ZDUSSCGKSA-N 1 3 334.424 -0.196 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000997236391 726442179 /nfs/dbraw/zinc/44/21/79/726442179.db2.gz CBJAXGKMJNVAMP-CQSZACIVSA-N 1 3 331.420 -0.071 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997611782 726457430 /nfs/dbraw/zinc/45/74/30/726457430.db2.gz HKJGMBGIODGVIN-KBPBESRZSA-N 1 3 336.436 -0.286 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC000999481179 726520463 /nfs/dbraw/zinc/52/04/63/726520463.db2.gz CQMUCPNLWUZOQP-QWHCGFSZSA-N 1 3 339.440 -0.541 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001000217506 726559909 /nfs/dbraw/zinc/55/99/09/726559909.db2.gz HHWONGVGAZKTCJ-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001000311258 726563554 /nfs/dbraw/zinc/56/35/54/726563554.db2.gz GXSWDWJDLJSVFE-STQMWFEESA-N 1 3 340.449 -0.033 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001000316634 726563632 /nfs/dbraw/zinc/56/36/32/726563632.db2.gz GKGNBSVYAROZIU-GFCCVEGCSA-N 1 3 333.392 -0.318 20 0 EBADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002874261 726651706 /nfs/dbraw/zinc/65/17/06/726651706.db2.gz HJDZSCUKORYGPL-JKSUJKDBSA-N 1 3 348.451 -0.278 20 0 EBADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002874261 726651707 /nfs/dbraw/zinc/65/17/07/726651707.db2.gz HJDZSCUKORYGPL-JKSUJKDBSA-N 1 3 348.451 -0.278 20 0 EBADHO O=C(N[C@H]1CCCN(C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219028 726872825 /nfs/dbraw/zinc/87/28/25/726872825.db2.gz IEOAROKVFMASJO-HOTGVXAUSA-N 1 3 347.463 -0.080 20 0 EBADHO CN1CC[C@H](NC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)C1=O ZINC001051800686 735404141 /nfs/dbraw/zinc/40/41/41/735404141.db2.gz DUJGZIBWZBDFCI-GJZGRUSLSA-N 1 3 338.452 -0.624 20 0 EBADHO Cn1cc(CNC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)cn1 ZINC001051904106 735455948 /nfs/dbraw/zinc/45/59/48/735455948.db2.gz APESAKLBHYFDTD-HNNXBMFYSA-N 1 3 333.436 -0.167 20 0 EBADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051932594 735470591 /nfs/dbraw/zinc/47/05/91/735470591.db2.gz UBBMSMYIOMJLFL-ZBFHGGJFSA-N 1 3 335.452 -0.003 20 0 EBADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051932594 735470593 /nfs/dbraw/zinc/47/05/93/735470593.db2.gz UBBMSMYIOMJLFL-ZBFHGGJFSA-N 1 3 335.452 -0.003 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051943122 735477248 /nfs/dbraw/zinc/47/72/48/735477248.db2.gz ITOSEILKYRPQFA-GJZGRUSLSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(N[C@H]1CC12CC[NH+](CCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001016740592 728500084 /nfs/dbraw/zinc/50/00/84/728500084.db2.gz KYLBDOVJLPETEM-DGSCNEQVSA-N 1 3 335.448 -0.187 20 0 EBADHO Cc1nc(CN[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)n[nH]1 ZINC001018861282 728696134 /nfs/dbraw/zinc/69/61/34/728696134.db2.gz ROQUXHIQNWHAQW-ZDUSSCGKSA-N 1 3 346.439 -0.124 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001020508167 729188668 /nfs/dbraw/zinc/18/86/68/729188668.db2.gz MSYXQIPFFASQDO-UMVBOHGHSA-N 1 3 336.440 -0.339 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588849 729205633 /nfs/dbraw/zinc/20/56/33/729205633.db2.gz OHOOISMYVISCIG-XGUBFFRZSA-N 1 3 343.493 0.000 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022118926 729457195 /nfs/dbraw/zinc/45/71/95/729457195.db2.gz ANKXNJKCSYTYBO-XFMPKHEZSA-N 1 3 334.424 -0.585 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022118926 729457196 /nfs/dbraw/zinc/45/71/96/729457196.db2.gz ANKXNJKCSYTYBO-XFMPKHEZSA-N 1 3 334.424 -0.585 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001023025131 729580077 /nfs/dbraw/zinc/58/00/77/729580077.db2.gz XAYCTVSMVGJZLZ-PHIMTYICSA-N 1 3 334.380 -0.951 20 0 EBADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043494 730117375 /nfs/dbraw/zinc/11/73/75/730117375.db2.gz DCRQXLRVCDCTDC-DEQQHWRFSA-N 1 3 334.464 -0.005 20 0 EBADHO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)C1=O ZINC001026043494 730117377 /nfs/dbraw/zinc/11/73/77/730117377.db2.gz DCRQXLRVCDCTDC-DEQQHWRFSA-N 1 3 334.464 -0.005 20 0 EBADHO 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731535315 /nfs/dbraw/zinc/53/53/15/731535315.db2.gz NFRFBFOCPMKEKJ-YOEHRIQHSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040202973 731642130 /nfs/dbraw/zinc/64/21/30/731642130.db2.gz VNNKLMUMVAWGNW-RHSMWYFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001040799398 731880296 /nfs/dbraw/zinc/88/02/96/731880296.db2.gz ZEKTUKCBBMJJOS-WBVHZDCISA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595279 738634635 /nfs/dbraw/zinc/63/46/35/738634635.db2.gz GXMNQQFYRPTGAS-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061595279 738634636 /nfs/dbraw/zinc/63/46/36/738634636.db2.gz GXMNQQFYRPTGAS-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001043157565 732794119 /nfs/dbraw/zinc/79/41/19/732794119.db2.gz FTIMTIAUQJJIHM-UHFFFAOYSA-N 1 3 328.457 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CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001049542147 734749665 /nfs/dbraw/zinc/74/96/65/734749665.db2.gz GLMRSJPDFSMVSU-GJZGRUSLSA-N 1 3 342.484 -0.300 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001050236912 734877048 /nfs/dbraw/zinc/87/70/48/734877048.db2.gz SJZSZWBKERGGHN-AAEUAGOBSA-N 1 3 333.392 -0.414 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001050236918 734877653 /nfs/dbraw/zinc/87/76/53/734877653.db2.gz SJZSZWBKERGGHN-YPMHNXCESA-N 1 3 333.392 -0.414 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CN(C)C(C)C ZINC001057862978 737482865 /nfs/dbraw/zinc/48/28/65/737482865.db2.gz AATWTLMRSNJVJO-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CN(C)C(C)C ZINC001057862978 737482867 /nfs/dbraw/zinc/48/28/67/737482867.db2.gz AATWTLMRSNJVJO-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001057864050 737485140 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CCN(CC)CC(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC ZINC001058815230 738002755 /nfs/dbraw/zinc/00/27/55/738002755.db2.gz REMMSEQQXIWPRY-UHFFFAOYSA-N 1 3 330.473 -0.393 20 0 EBADHO C[C@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001058846767 738027922 /nfs/dbraw/zinc/02/79/22/738027922.db2.gz FJSCVXVXEPYERS-GJZGRUSLSA-N 1 3 340.468 -0.783 20 0 EBADHO C[C@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001058846767 738027925 /nfs/dbraw/zinc/02/79/25/738027925.db2.gz FJSCVXVXEPYERS-GJZGRUSLSA-N 1 3 340.468 -0.783 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948118 738086915 /nfs/dbraw/zinc/08/69/15/738086915.db2.gz LLLFECXVFBDHTE-UHFFFAOYSA-N 1 3 339.440 -0.379 20 0 EBADHO O=C(Cc1c[nH]cn1)N(CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001058948423 738088404 /nfs/dbraw/zinc/08/84/04/738088404.db2.gz XJFZMNVSDDAJEL-UHFFFAOYSA-N 1 3 349.435 -0.482 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170277 739575618 /nfs/dbraw/zinc/57/56/18/739575618.db2.gz YIWFRVXZUXKTTN-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001065170277 739575624 /nfs/dbraw/zinc/57/56/24/739575624.db2.gz YIWFRVXZUXKTTN-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CCC1 ZINC001065574375 739770625 /nfs/dbraw/zinc/77/06/25/739770625.db2.gz GPUVJOGZJIZQAW-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CCC1 ZINC001065574374 739770723 /nfs/dbraw/zinc/77/07/23/739770723.db2.gz GPUVJOGZJIZQAW-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2)N(C)C ZINC001068456520 740331675 /nfs/dbraw/zinc/33/16/75/740331675.db2.gz SMTCUGIBTBEUFE-AWEZNQCLSA-N 1 3 340.468 -0.282 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068939204 740501869 /nfs/dbraw/zinc/50/18/69/740501869.db2.gz BJMYEJDUVDETBS-CYBMUJFWSA-N 1 3 349.435 -0.302 20 0 EBADHO CC(C)N(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015317 740524180 /nfs/dbraw/zinc/52/41/80/740524180.db2.gz QSINPHJUVZMAON-CQSZACIVSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)N(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015316 740524206 /nfs/dbraw/zinc/52/42/06/740524206.db2.gz QSINPHJUVZMAON-AWEZNQCLSA-N 1 3 340.468 -0.236 20 0 EBADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433212 741398627 /nfs/dbraw/zinc/39/86/27/741398627.db2.gz SSJNKRHNUWTYCN-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN([C@@H](C)C(N)=O)C3)C1 ZINC001072913984 741518507 /nfs/dbraw/zinc/51/85/07/741518507.db2.gz PYXBOMGCHPINET-KBPBESRZSA-N 1 3 338.452 -0.496 20 0 EBADHO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN([C@@H](C)C(N)=O)C3)C1 ZINC001072913984 741518509 /nfs/dbraw/zinc/51/85/09/741518509.db2.gz PYXBOMGCHPINET-KBPBESRZSA-N 1 3 338.452 -0.496 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072981242 741533723 /nfs/dbraw/zinc/53/37/23/741533723.db2.gz BKURXPPYKNRLBC-GJZGRUSLSA-N 1 3 349.479 -0.256 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072981242 741533724 /nfs/dbraw/zinc/53/37/24/741533724.db2.gz BKURXPPYKNRLBC-GJZGRUSLSA-N 1 3 349.479 -0.256 20 0 EBADHO O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001073700645 741713737 /nfs/dbraw/zinc/71/37/37/741713737.db2.gz SNQNGVVSRIEJDU-GWUWNPHMSA-N 1 3 339.436 -0.951 20 0 EBADHO O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001073700645 741713739 /nfs/dbraw/zinc/71/37/39/741713739.db2.gz SNQNGVVSRIEJDU-GWUWNPHMSA-N 1 3 339.436 -0.951 20 0 EBADHO O=C(N1CC[C@H]2CN([C@@H]3CCCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467436 742477370 /nfs/dbraw/zinc/47/73/70/742477370.db2.gz LGLRDIQUMDXPIN-RRFJBIMHSA-N 1 3 332.448 -0.107 20 0 EBADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001076805302 742580056 /nfs/dbraw/zinc/58/00/56/742580056.db2.gz AZRQDEUJVQGOSQ-QLFBSQMISA-N 1 3 338.452 -0.746 20 0 EBADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O ZINC001076805302 742580059 /nfs/dbraw/zinc/58/00/59/742580059.db2.gz AZRQDEUJVQGOSQ-QLFBSQMISA-N 1 3 338.452 -0.746 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418268 742964550 /nfs/dbraw/zinc/96/45/50/742964550.db2.gz LMCIVJKSEHRXFK-DSZOFWSKSA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418268 742964554 /nfs/dbraw/zinc/96/45/54/742964554.db2.gz LMCIVJKSEHRXFK-DSZOFWSKSA-N 1 3 335.448 -0.189 20 0 EBADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001078411389 743636783 /nfs/dbraw/zinc/63/67/83/743636783.db2.gz LKRLUYAOZYUNTL-KBPBESRZSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978555829 804860799 /nfs/dbraw/zinc/86/07/99/804860799.db2.gz KEAWRXADHSTHKY-UEIJKTBSSA-N 1 3 335.448 -0.474 20 0 EBADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978555829 804860808 /nfs/dbraw/zinc/86/08/08/804860808.db2.gz KEAWRXADHSTHKY-UEIJKTBSSA-N 1 3 335.448 -0.474 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055684 807829962 /nfs/dbraw/zinc/82/99/62/807829962.db2.gz CQCQWISKDFUGBY-JQWIXIFHSA-N 1 3 334.380 -0.917 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCN(C[C@H](O)Cn3cccn3)CC2)C1 ZINC000989665430 808551894 /nfs/dbraw/zinc/55/18/94/808551894.db2.gz FDACTEYRAXJTRG-HOTGVXAUSA-N 1 3 335.452 -0.270 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCN(C[C@H](O)Cn3cccn3)CC2)C1 ZINC000989665430 808551902 /nfs/dbraw/zinc/55/19/02/808551902.db2.gz FDACTEYRAXJTRG-HOTGVXAUSA-N 1 3 335.452 -0.270 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000990244635 808711145 /nfs/dbraw/zinc/71/11/45/808711145.db2.gz OPEBXVMTSQZPOB-AWEZNQCLSA-N 1 3 336.436 -0.190 20 0 EBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001215421755 810327095 /nfs/dbraw/zinc/32/70/95/810327095.db2.gz KWQSTMAETVFGLH-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416319 810327348 /nfs/dbraw/zinc/32/73/48/810327348.db2.gz UBGLMHDFKFEXTL-VXGBXAGGSA-N 1 3 339.440 -0.780 20 0 EBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCCS(C)(=O)=O ZINC001215416234 810327862 /nfs/dbraw/zinc/32/78/62/810327862.db2.gz QIQIULXSXGZUKF-CHWSQXEVSA-N 1 3 331.482 -0.191 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456316 810330015 /nfs/dbraw/zinc/33/00/15/810330015.db2.gz RJRMHARBUUIDPW-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCCS(C)(=O)=O ZINC001216405122 810372732 /nfs/dbraw/zinc/37/27/32/810372732.db2.gz FQUKLPSXJCXEAL-CHWSQXEVSA-N 1 3 329.466 -0.437 20 0 EBADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC(N)=O ZINC001216463350 810374972 /nfs/dbraw/zinc/37/49/72/810374972.db2.gz FVQIPOOHEJYUMX-VXGBXAGGSA-N 1 3 327.429 -0.650 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216845061 810396026 /nfs/dbraw/zinc/39/60/26/810396026.db2.gz VVJHCCZWAKGXFX-UPJWGTAASA-N 1 3 339.440 -0.508 20 0 EBADHO CN1CCN(c2ncccc2NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001218554725 810502707 /nfs/dbraw/zinc/50/27/07/810502707.db2.gz AUYQFWIPYLJOJL-ZDUSSCGKSA-N 1 3 330.436 -0.419 20 0 EBADHO Cc1nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc(N2CCOCC2)n1 ZINC001218621497 810512496 /nfs/dbraw/zinc/51/24/96/810512496.db2.gz VPZCNCLYKKTBCV-GFCCVEGCSA-N 1 3 332.408 -0.631 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710730 810522480 /nfs/dbraw/zinc/52/24/80/810522480.db2.gz HFMTXUHVAXEUFA-VIFPVBQESA-N 1 3 331.398 -0.742 20 0 EBADHO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218874152 810538269 /nfs/dbraw/zinc/53/82/69/810538269.db2.gz UAOSDGTXTYQCBG-AWEZNQCLSA-N 1 3 329.404 -0.630 20 0 EBADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218891372 810541367 /nfs/dbraw/zinc/54/13/67/810541367.db2.gz OGORPGXHLICKMI-CYBMUJFWSA-N 1 3 328.438 -0.217 20 0 EBADHO O=C(N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000438 810648848 /nfs/dbraw/zinc/64/88/48/810648848.db2.gz BMJNKAAVDAHVHH-GJZGRUSLSA-N 1 3 333.436 -0.470 20 0 EBADHO COc1ccc(CSC[C@H](N)C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219713938 810805450 /nfs/dbraw/zinc/80/54/50/810805450.db2.gz ACRXAYGODITIGX-BFHYXJOUSA-N 1 3 325.434 -0.295 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736445 810815985 /nfs/dbraw/zinc/81/59/85/810815985.db2.gz CJCYZVQKCHCMJK-XQQFMLRXSA-N 1 3 326.441 -0.641 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@]2(F)CCC[NH2+]C2)COC1(C)C ZINC001219771304 810834515 /nfs/dbraw/zinc/83/45/15/810834515.db2.gz KVIJQJIMNCEMKA-ZIBATOQPSA-N 1 3 330.404 -0.495 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802711 810849961 /nfs/dbraw/zinc/84/99/61/810849961.db2.gz AQGXKJMCZFNYGV-SCRDCRAPSA-N 1 3 326.441 -0.639 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852086 810879334 /nfs/dbraw/zinc/87/93/34/810879334.db2.gz LJQFBKSWYMWAHP-ZQDZILKHSA-N 1 3 326.441 -0.639 20 0 EBADHO N[C@@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCC2(CC1)OCCO2 ZINC001219856470 810880409 /nfs/dbraw/zinc/88/04/09/810880409.db2.gz NVWXOIHTRJWJAD-XJFOESAGSA-N 1 3 325.409 -0.650 20 0 EBADHO N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1ncc[nH]1 ZINC001220181494 811009047 /nfs/dbraw/zinc/00/90/47/811009047.db2.gz QLQYGAWTMNNZMV-QWRGUYRKSA-N 1 3 335.412 -0.701 20 0 EBADHO CCOC(=O)CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C(=O)OCC ZINC001220231171 811029404 /nfs/dbraw/zinc/02/94/04/811029404.db2.gz XBVRKRYVRAFDFZ-QWRGUYRKSA-N 1 3 349.453 -0.603 20 0 EBADHO Cn1cc(Br)c(CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001220335728 811059950 /nfs/dbraw/zinc/05/99/50/811059950.db2.gz ROZOXFMSEJIKLO-MRVPVSSYSA-N 1 3 328.214 -0.392 20 0 EBADHO [NH3+]C[C@H](O)C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353343 811067650 /nfs/dbraw/zinc/06/76/50/811067650.db2.gz IKMALPYIZRUZBL-ILXRZTDVSA-N 1 3 335.404 -0.119 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C(=O)OC(C)(C)C ZINC001220382505 811083544 /nfs/dbraw/zinc/08/35/44/811083544.db2.gz YNGKBLNIMOLRQH-UWVGGRQHSA-N 1 3 349.453 -0.605 20 0 EBADHO N=C(N)N(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC001220460792 811116954 /nfs/dbraw/zinc/11/69/54/811116954.db2.gz YUDSSEHCQIZMIO-KBPBESRZSA-N 1 3 333.392 -0.528 20 0 EBADHO CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001220489978 811124855 /nfs/dbraw/zinc/12/48/55/811124855.db2.gz OCFUVGHOIMZHCF-AWEZNQCLSA-N 1 3 337.445 -0.095 20 0 EBADHO CN(CC[NH3+])CCNC(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001220517330 811134650 /nfs/dbraw/zinc/13/46/50/811134650.db2.gz HEYUXALVFHVIDJ-OAHLLOKOSA-N 1 3 336.436 -0.156 20 0 EBADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220567605 811158366 /nfs/dbraw/zinc/15/83/66/811158366.db2.gz HFNFPKCQYDPUNR-CABCVRRESA-N 1 3 334.420 -0.001 20 0 EBADHO COCCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638231 811185071 /nfs/dbraw/zinc/18/50/71/811185071.db2.gz XLYRPUCLKOOSFV-CVEARBPZSA-N 1 3 343.468 -0.315 20 0 EBADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220770196 811236572 /nfs/dbraw/zinc/23/65/72/811236572.db2.gz VOPMRFLGRYNHSI-UONOGXRCSA-N 1 3 349.435 -0.505 20 0 EBADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220770196 811236577 /nfs/dbraw/zinc/23/65/77/811236577.db2.gz VOPMRFLGRYNHSI-UONOGXRCSA-N 1 3 349.435 -0.505 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805482 811247654 /nfs/dbraw/zinc/24/76/54/811247654.db2.gz SEBNNOFPHRQOAM-MMWGEVLESA-N 1 3 336.358 -0.019 20 0 EBADHO O=C(CNC(=O)[C@H]1[NH2+]CC[C@@H]1O)N1CCN(C2CCCCC2)CC1 ZINC001220900266 811286451 /nfs/dbraw/zinc/28/64/51/811286451.db2.gz FTXWMUBXIAJYOV-HOCLYGCPSA-N 1 3 338.452 -0.698 20 0 EBADHO N[C@@]1(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CC[NH2+]C1 ZINC001220900519 811287324 /nfs/dbraw/zinc/28/73/24/811287324.db2.gz LYXQDXTYBVPTNW-KRWDZBQOSA-N 1 3 337.468 -0.730 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220920769 811294352 /nfs/dbraw/zinc/29/43/52/811294352.db2.gz MWHAVNHHWDJYET-OLZOCXBDSA-N 1 3 337.449 -0.569 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001220968824 811316346 /nfs/dbraw/zinc/31/63/46/811316346.db2.gz FAVIIVYSHGRXPR-CQSZACIVSA-N 1 3 334.420 -0.668 20 0 EBADHO COCCOc1nccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001221158220 811396264 /nfs/dbraw/zinc/39/62/64/811396264.db2.gz VELAIFRPPVUKKN-CQSZACIVSA-N 1 3 349.435 -0.008 20 0 EBADHO COCCOc1nccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001221158220 811396276 /nfs/dbraw/zinc/39/62/76/811396276.db2.gz VELAIFRPPVUKKN-CQSZACIVSA-N 1 3 349.435 -0.008 20 0 EBADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221339470 811444982 /nfs/dbraw/zinc/44/49/82/811444982.db2.gz HTUPLWKBMHKGTK-NWDGAFQWSA-N 1 3 326.422 -0.699 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365498 811446563 /nfs/dbraw/zinc/44/65/63/811446563.db2.gz DTRQRGIFAQPECA-GRYCIOLGSA-N 1 3 338.387 -0.870 20 0 EBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O ZINC001221392225 811449056 /nfs/dbraw/zinc/44/90/56/811449056.db2.gz UEVDQABZDYSNLU-DDHJBXDOSA-N 1 3 327.429 -0.818 20 0 EBADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001221391894 811449600 /nfs/dbraw/zinc/44/96/00/811449600.db2.gz FDAWLAAVFGJBPG-HNNXBMFYSA-N 1 3 330.432 -0.144 20 0 EBADHO Cn1ncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(Br)c1=O ZINC001221401941 811450440 /nfs/dbraw/zinc/45/04/40/811450440.db2.gz RRORQNPPQBCRFV-SSDOTTSWSA-N 1 3 342.197 -0.710 20 0 EBADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162549 811797492 /nfs/dbraw/zinc/79/74/92/811797492.db2.gz HLHCDZFDCSBGAA-AWEZNQCLSA-N 1 3 342.484 -0.131 20 0 EBADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162904 811797553 /nfs/dbraw/zinc/79/75/53/811797553.db2.gz NKWCAULXWAOPGW-CQSZACIVSA-N 1 3 328.457 -0.343 20 0 EBADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079930598 811803945 /nfs/dbraw/zinc/80/39/45/811803945.db2.gz VNBLCQMFUNXUGU-UHFFFAOYSA-N 1 3 342.484 -0.036 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001229710776 812050698 /nfs/dbraw/zinc/05/06/98/812050698.db2.gz SZCQNTSAXVYKCT-ZIAGYGMSSA-N 1 3 349.497 -0.374 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001230274999 812097011 /nfs/dbraw/zinc/09/70/11/812097011.db2.gz XSVGQNAUYOZNFT-JHJVBQTASA-N 1 3 341.456 -0.073 20 0 EBADHO Cn1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(=O)n(C)c1=O ZINC001231771456 812308748 /nfs/dbraw/zinc/30/87/48/812308748.db2.gz SROOVGLGFDTBDZ-UHFFFAOYSA-N 1 3 349.479 -0.457 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080989549 812429149 /nfs/dbraw/zinc/42/91/49/812429149.db2.gz ZQFUIVOSBQNROA-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCNC[C@@]2(CCCCN2)C1 ZINC001239015666 812538930 /nfs/dbraw/zinc/53/89/30/812538930.db2.gz DREKHMBYXXDBQY-HNNXBMFYSA-N 1 3 330.498 -0.267 20 0 EBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)NCCC[NH2+]CCCN ZINC001239252477 812550812 /nfs/dbraw/zinc/55/08/12/812550812.db2.gz DSEYXQVJDXMPQX-LBPRGKRZSA-N 1 3 332.445 -0.029 20 0 EBADHO O=C([C@@H]1C[C@H](N2CC[C@@H]3NCCO[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246621519 812577112 /nfs/dbraw/zinc/57/71/12/812577112.db2.gz CRRQNMYPQPBBLY-XUXIUFHCSA-N 1 3 326.466 -0.688 20 0 EBADHO C[C@@H]1O[C@@H](OCCNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001255675130 812720384 /nfs/dbraw/zinc/72/03/84/812720384.db2.gz CFHYXOQPLZOIBI-FTGVRMDQSA-N 1 3 344.452 -0.565 20 0 EBADHO C[C@@H]1O[C@@H](OCCNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001255675130 812720392 /nfs/dbraw/zinc/72/03/92/812720392.db2.gz CFHYXOQPLZOIBI-FTGVRMDQSA-N 1 3 344.452 -0.565 20 0 EBADHO CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081445806 812960673 /nfs/dbraw/zinc/96/06/73/812960673.db2.gz BLPUVIOMMFTQNM-BZUAXINKSA-N 1 3 335.452 -0.128 20 0 EBADHO CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081445806 812960680 /nfs/dbraw/zinc/96/06/80/812960680.db2.gz BLPUVIOMMFTQNM-BZUAXINKSA-N 1 3 335.452 -0.128 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)CC1 ZINC001262070208 813032882 /nfs/dbraw/zinc/03/28/82/813032882.db2.gz UNWFMXNUPOCDJT-UHFFFAOYSA-N 1 3 325.457 -0.922 20 0 EBADHO CC(C)(C(=O)NCCCN1CCN(CCO)CC1)[NH+]1CCCC1 ZINC001265247372 813274047 /nfs/dbraw/zinc/27/40/47/813274047.db2.gz IABLZUURJWEKAU-UHFFFAOYSA-N 1 3 326.485 -0.023 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081636895 813345760 /nfs/dbraw/zinc/34/57/60/813345760.db2.gz GRDYRJSBANKVOC-OCCSQVGLSA-N 1 3 337.424 -0.852 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081636896 813346615 /nfs/dbraw/zinc/34/66/15/813346615.db2.gz GRDYRJSBANKVOC-TZMCWYRMSA-N 1 3 337.424 -0.852 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001265626697 813351506 /nfs/dbraw/zinc/35/15/06/813351506.db2.gz ZMDVRTQRUPMFLW-LBPRGKRZSA-N 1 3 348.407 -0.668 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265895843 813407545 /nfs/dbraw/zinc/40/75/45/813407545.db2.gz TWHMLTLWZOJIKE-QWHCGFSZSA-N 1 3 337.424 -0.787 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001266004369 813437242 /nfs/dbraw/zinc/43/72/42/813437242.db2.gz DCOQUGASXCXHBZ-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701565 813440636 /nfs/dbraw/zinc/44/06/36/813440636.db2.gz XHFPEFNKYYEMEO-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266204877 813478186 /nfs/dbraw/zinc/47/81/86/813478186.db2.gz ZMZCETGZXJIWMI-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001266204877 813478192 /nfs/dbraw/zinc/47/81/92/813478192.db2.gz ZMZCETGZXJIWMI-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731932 813486048 /nfs/dbraw/zinc/48/60/48/813486048.db2.gz AKQYGRFVZKXDEP-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO CN(C)C1(C(=O)N2C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001081732644 813487955 /nfs/dbraw/zinc/48/79/55/813487955.db2.gz JLXUOIWQUZTVAP-KBPBESRZSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081733171 813488804 /nfs/dbraw/zinc/48/88/04/813488804.db2.gz PXUVWJAOGMTXJD-ZIAGYGMSSA-N 1 3 328.457 -0.785 20 0 EBADHO CN(CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1)C1CCC1 ZINC001081736014 813494519 /nfs/dbraw/zinc/49/45/19/813494519.db2.gz SAUPNUXZWJXEEI-UKRRQHHQSA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001081774394 813541805 /nfs/dbraw/zinc/54/18/05/813541805.db2.gz OJKHMELJFAVUEM-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081774394 813541812 /nfs/dbraw/zinc/54/18/12/813541812.db2.gz OJKHMELJFAVUEM-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001266439818 813570578 /nfs/dbraw/zinc/57/05/78/813570578.db2.gz XTBBDVAATNTAKN-CYBMUJFWSA-N 1 3 348.407 -0.703 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266639870 813630068 /nfs/dbraw/zinc/63/00/68/813630068.db2.gz JTVWXKIXZPRKBD-MGPQQGTHSA-N 1 3 346.497 -0.353 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NC(=O)NC)C1 ZINC001266812886 813676584 /nfs/dbraw/zinc/67/65/84/813676584.db2.gz ALPKOACSCYFRBZ-CYBMUJFWSA-N 1 3 341.456 -0.388 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NC(=O)NC)C1 ZINC001266812886 813676588 /nfs/dbraw/zinc/67/65/88/813676588.db2.gz ALPKOACSCYFRBZ-CYBMUJFWSA-N 1 3 341.456 -0.388 20 0 EBADHO CS(=O)(=O)CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267058372 813748057 /nfs/dbraw/zinc/74/80/57/813748057.db2.gz KBONHWUAZQYQAL-GFCCVEGCSA-N 1 3 328.438 -0.175 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCOCC1 ZINC001267110012 813762518 /nfs/dbraw/zinc/76/25/18/813762518.db2.gz PHIJRROYEDTDOS-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCNCCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469613 813907970 /nfs/dbraw/zinc/90/79/70/813907970.db2.gz NKFAWAUFKMPTPC-CYBMUJFWSA-N 1 3 332.470 -0.978 20 0 EBADHO CN(CCNCCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469613 813907976 /nfs/dbraw/zinc/90/79/76/813907976.db2.gz NKFAWAUFKMPTPC-CYBMUJFWSA-N 1 3 332.470 -0.978 20 0 EBADHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)NC(N)=O ZINC001267506057 813918123 /nfs/dbraw/zinc/91/81/23/813918123.db2.gz VHTRAIKWMMLAGS-GFCCVEGCSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)NC(N)=O ZINC001267506057 813918128 /nfs/dbraw/zinc/91/81/28/813918128.db2.gz VHTRAIKWMMLAGS-GFCCVEGCSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001082589200 813974043 /nfs/dbraw/zinc/97/40/43/813974043.db2.gz OBTOQNNJQNTNBP-JHJVBQTASA-N 1 3 339.440 -0.685 20 0 EBADHO CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001267970152 814080424 /nfs/dbraw/zinc/08/04/24/814080424.db2.gz KLCINFTZNPUGIY-CYBMUJFWSA-N 1 3 332.470 -0.788 20 0 EBADHO C[C@H](NC/C=C/CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606996 814315623 /nfs/dbraw/zinc/31/56/23/814315623.db2.gz RUKWWHCSZOKZLG-GJBLVYBDSA-N 1 3 340.468 -0.164 20 0 EBADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083372698 814342044 /nfs/dbraw/zinc/34/20/44/814342044.db2.gz AZRQDEUJVQGOSQ-KFWWJZLASA-N 1 3 338.452 -0.746 20 0 EBADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O ZINC001083372698 814342054 /nfs/dbraw/zinc/34/20/54/814342054.db2.gz AZRQDEUJVQGOSQ-KFWWJZLASA-N 1 3 338.452 -0.746 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001269544958 814723498 /nfs/dbraw/zinc/72/34/98/814723498.db2.gz YVQUGRLEXSMJJB-CYBMUJFWSA-N 1 3 336.436 -0.094 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O)N(C)C ZINC001270293193 815743961 /nfs/dbraw/zinc/74/39/61/815743961.db2.gz KCVGZARVUMEKEJ-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414697 816425863 /nfs/dbraw/zinc/42/58/63/816425863.db2.gz ROTBMLOWDGFUBI-CVEARBPZSA-N 1 3 337.468 -0.098 20 0 EBADHO CS(=O)(=O)NCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641526 816499892 /nfs/dbraw/zinc/49/98/92/816499892.db2.gz JMSPRPYGRCHUBC-CQSZACIVSA-N 1 3 346.497 -0.540 20 0 EBADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3cnccc3N)C2)OCC1=O ZINC001272808217 816527347 /nfs/dbraw/zinc/52/73/47/816527347.db2.gz IAYKNMGZUKRKLB-KRWDZBQOSA-N 1 3 333.436 -0.141 20 0 EBADHO CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1)N1CCCC1 ZINC001273302008 816637390 /nfs/dbraw/zinc/63/73/90/816637390.db2.gz ZENKWNACNSBWRK-OAHLLOKOSA-N 1 3 343.468 -0.313 20 0 EBADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(CCn1ccnc1)C2 ZINC001273784550 816761851 /nfs/dbraw/zinc/76/18/51/816761851.db2.gz DREUUPPVFKUYCE-QGZVFWFLSA-N 1 3 335.452 -0.004 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)n1 ZINC001274034897 816845479 /nfs/dbraw/zinc/84/54/79/816845479.db2.gz IZIIZCHZEIMEIS-RDFMZFSFSA-N 1 3 348.451 -0.401 20 0 EBADHO NC(=O)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892439 816933748 /nfs/dbraw/zinc/93/37/48/816933748.db2.gz JPMHOAXPJKAKGA-XGUBFFRZSA-N 1 3 332.448 -0.264 20 0 EBADHO CN(CCNC/C=C/CNC(=O)C12CC[NH+](CC1)C2)S(C)(=O)=O ZINC001274512102 816988435 /nfs/dbraw/zinc/98/84/35/816988435.db2.gz UYPAPEUXRNLBAB-ONEGZZNKSA-N 1 3 344.481 -0.764 20 0 EBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001274926218 817122668 /nfs/dbraw/zinc/12/26/68/817122668.db2.gz VGJPALMVDAHWNW-OLZOCXBDSA-N 1 3 334.486 -0.544 20 0 EBADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001275243632 817175880 /nfs/dbraw/zinc/17/58/80/817175880.db2.gz XEYZHUYRGWNELC-UHFFFAOYSA-N 1 3 337.468 -0.020 20 0 EBADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC(N)=O ZINC001276075997 817354163 /nfs/dbraw/zinc/35/41/63/817354163.db2.gz HKWUKDRKWNVBJJ-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cncn4C)CC3)[C@@H]2C1 ZINC001277769400 817634315 /nfs/dbraw/zinc/63/43/15/817634315.db2.gz BCIOGSCXMJOQSS-HUUCEWRRSA-N 1 3 346.479 -0.002 20 0 EBADHO CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(c4cncn4C)CC3)[C@@H]2C1 ZINC001277769400 817634316 /nfs/dbraw/zinc/63/43/16/817634316.db2.gz BCIOGSCXMJOQSS-HUUCEWRRSA-N 1 3 346.479 -0.002 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001277979731 817668013 /nfs/dbraw/zinc/66/80/13/817668013.db2.gz AXXSAKNFFWBARK-UONOGXRCSA-N 1 3 348.513 -0.298 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(CCCN2C(=O)CNC2=O)C1 ZINC001278419960 817758585 /nfs/dbraw/zinc/75/85/85/817758585.db2.gz JBXDAHUVRVFYMX-INIZCTEOSA-N 1 3 339.440 -0.539 20 0 EBADHO CN(CCOCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCCN1C ZINC001279393886 817924506 /nfs/dbraw/zinc/92/45/06/817924506.db2.gz XHGKDEYRMUUHHT-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001279886023 818000285 /nfs/dbraw/zinc/00/02/85/818000285.db2.gz GDBAOGLKABKCBJ-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098392789 819168078 /nfs/dbraw/zinc/16/80/78/819168078.db2.gz YSUCYPDEDQXITE-CZUORRHYSA-N 1 3 327.469 -0.007 20 0 EBADHO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098392789 819168081 /nfs/dbraw/zinc/16/80/81/819168081.db2.gz YSUCYPDEDQXITE-CZUORRHYSA-N 1 3 327.469 -0.007 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)N(C)C ZINC001284336815 819188125 /nfs/dbraw/zinc/18/81/25/819188125.db2.gz VSAIUEPCTJLWIK-QWHCGFSZSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)CCOCCO)CC1)N(C)C ZINC001098479995 819210514 /nfs/dbraw/zinc/21/05/14/819210514.db2.gz KUMWNOJFUHCDTB-INIZCTEOSA-N 1 3 345.484 -0.379 20 0 EBADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)CCOCCO)CC1)N(C)C ZINC001098479995 819210520 /nfs/dbraw/zinc/21/05/20/819210520.db2.gz KUMWNOJFUHCDTB-INIZCTEOSA-N 1 3 345.484 -0.379 20 0 EBADHO CCN(CC)CC(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098506011 819222384 /nfs/dbraw/zinc/22/23/84/819222384.db2.gz JMWYIZJOIRRMIC-UHFFFAOYSA-N 1 3 345.484 -0.378 20 0 EBADHO CCN(CC)CC(=O)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098506011 819222387 /nfs/dbraw/zinc/22/23/87/819222387.db2.gz JMWYIZJOIRRMIC-UHFFFAOYSA-N 1 3 345.484 -0.378 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001099597129 819494089 /nfs/dbraw/zinc/49/40/89/819494089.db2.gz SNHKSNSLFNRDKL-OAHLLOKOSA-N 1 3 343.468 -0.456 20 0 EBADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001286028692 819875970 /nfs/dbraw/zinc/87/59/70/819875970.db2.gz XIRGYLMXRHEFSQ-MRXNPFEDSA-N 1 3 342.484 -0.180 20 0 EBADHO CC(C)OCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074620 820165955 /nfs/dbraw/zinc/16/59/55/820165955.db2.gz QBPCVKZFGVHCRB-GJZGRUSLSA-N 1 3 331.457 -0.459 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405705 820405907 /nfs/dbraw/zinc/40/59/07/820405907.db2.gz JSNMETSAFYTXHX-UHFFFAOYSA-N 1 3 339.440 -0.589 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426729 820417594 /nfs/dbraw/zinc/41/75/94/820417594.db2.gz YBYRERJUINTAKY-YIZWMMSDSA-N 1 3 341.456 -0.487 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1)N(C)C ZINC001100443488 820423318 /nfs/dbraw/zinc/42/33/18/820423318.db2.gz JKHLXNGFQVOUCO-UYSNPLJNSA-N 1 3 342.484 -0.036 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100921413 820604493 /nfs/dbraw/zinc/60/44/93/820604493.db2.gz SIJOQHAOJXQMNM-UHFFFAOYSA-N 1 3 348.407 -0.703 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101038050 820661177 /nfs/dbraw/zinc/66/11/77/820661177.db2.gz ZTYGYLKIUKNDHS-HIFPTAJRSA-N 1 3 341.456 -0.345 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001101038047 820661875 /nfs/dbraw/zinc/66/18/75/820661875.db2.gz ZTJUQWGYPWTEDI-UNXYVOJBSA-N 1 3 327.429 -0.606 20 0 EBADHO CCNC(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102510917 821133006 /nfs/dbraw/zinc/13/30/06/821133006.db2.gz BBWGPHYRMPVFQT-ZIAGYGMSSA-N 1 3 328.457 -0.615 20 0 EBADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513621 821134604 /nfs/dbraw/zinc/13/46/04/821134604.db2.gz UFYQISPVBAPQDJ-KFWWJZLASA-N 1 3 340.468 -0.521 20 0 EBADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513579 821135211 /nfs/dbraw/zinc/13/52/11/821135211.db2.gz REOJVFWZGKPZDU-MGPQQGTHSA-N 1 3 328.457 -0.617 20 0 EBADHO C[NH+](C)CCC(=O)N1CC(n2cc(CNC[C@H]3CCOC3)nn2)C1 ZINC001105320768 821690720 /nfs/dbraw/zinc/69/07/20/821690720.db2.gz ISTZZGAXMGHTRU-CYBMUJFWSA-N 1 3 336.440 -0.261 20 0 EBADHO CCCN(C)CC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105485486 821761223 /nfs/dbraw/zinc/76/12/23/821761223.db2.gz KEBKHXFQDBIJFL-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO CCOCC[NH+]1CCN(CCCNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001316956423 821935270 /nfs/dbraw/zinc/93/52/70/821935270.db2.gz CRJCTLCUIXPANH-INIZCTEOSA-N 1 3 342.484 -0.523 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001317119972 822008853 /nfs/dbraw/zinc/00/88/53/822008853.db2.gz MVSPATFLAOXWTM-MCIONIFRSA-N 1 3 346.497 -0.496 20 0 EBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244193 822045307 /nfs/dbraw/zinc/04/53/07/822045307.db2.gz HAWIEXZSRJFOTQ-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317303510 822074703 /nfs/dbraw/zinc/07/47/03/822074703.db2.gz VCKVJEXLGOBQJB-UONOGXRCSA-N 1 3 346.497 -0.447 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001317625772 822182686 /nfs/dbraw/zinc/18/26/86/822182686.db2.gz JFABWHTWEUEURM-GJZGRUSLSA-N 1 3 340.468 -0.471 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001317625772 822182690 /nfs/dbraw/zinc/18/26/90/822182690.db2.gz JFABWHTWEUEURM-GJZGRUSLSA-N 1 3 340.468 -0.471 20 0 EBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430034 828616954 /nfs/dbraw/zinc/61/69/54/828616954.db2.gz NCRRMSORDRTNOI-KBPBESRZSA-N 1 3 336.436 -0.096 20 0 EBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430034 828616959 /nfs/dbraw/zinc/61/69/59/828616959.db2.gz NCRRMSORDRTNOI-KBPBESRZSA-N 1 3 336.436 -0.096 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001129435291 828618656 /nfs/dbraw/zinc/61/86/56/828618656.db2.gz DVEAQAUBMWQYRE-HIFRSBDPSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001129435499 828619275 /nfs/dbraw/zinc/61/92/75/828619275.db2.gz GYJXGYFGLHKNQJ-ZFWWWQNUSA-N 1 3 326.441 -0.984 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NCc1cccnc1)C1CC1 ZINC001129437361 828620148 /nfs/dbraw/zinc/62/01/48/828620148.db2.gz ZLGLYWYXGUTUQG-MRXNPFEDSA-N 1 3 333.436 -0.256 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129448601 828621056 /nfs/dbraw/zinc/62/10/56/828621056.db2.gz CHRYCBMSBFOQFD-YPMHNXCESA-N 1 3 341.456 -0.345 20 0 EBADHO CS(=O)(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769107 824434024 /nfs/dbraw/zinc/43/40/24/824434024.db2.gz LNAFDTMDBFMNGQ-OBJOEFQTSA-N 1 3 340.449 -0.034 20 0 EBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977717 824638185 /nfs/dbraw/zinc/63/81/85/824638185.db2.gz WNGONYXJBHTOBZ-KBXIAJHMSA-N 1 3 329.441 -0.707 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129856562 828682255 /nfs/dbraw/zinc/68/22/55/828682255.db2.gz UFYJOLBJVBAWMN-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129856562 828682256 /nfs/dbraw/zinc/68/22/56/828682256.db2.gz UFYJOLBJVBAWMN-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130011943 828714263 /nfs/dbraw/zinc/71/42/63/828714263.db2.gz GFQZTVVIIOAGJQ-KFWWJZLASA-N 1 3 336.440 -0.514 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075372 828727893 /nfs/dbraw/zinc/72/78/93/828727893.db2.gz VHJPCCHZDSNKTR-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075372 828727900 /nfs/dbraw/zinc/72/79/00/828727900.db2.gz VHJPCCHZDSNKTR-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137393 828738640 /nfs/dbraw/zinc/73/86/40/828738640.db2.gz XEJLCLFRYYHDCK-ZNMIVQPWSA-N 1 3 338.456 -0.005 20 0 EBADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137326 828739054 /nfs/dbraw/zinc/73/90/54/828739054.db2.gz UBLPYSPBAVWHFH-ZNMIVQPWSA-N 1 3 338.456 -0.005 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)S(C)(=O)=O ZINC001130187464 828751129 /nfs/dbraw/zinc/75/11/29/828751129.db2.gz VRCQDTSPJKSJLN-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)S(C)(=O)=O ZINC001130187464 828751132 /nfs/dbraw/zinc/75/11/32/828751132.db2.gz VRCQDTSPJKSJLN-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130188987 828751696 /nfs/dbraw/zinc/75/16/96/828751696.db2.gz LFHKIYMTKKBTQC-STQMWFEESA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130188987 828751698 /nfs/dbraw/zinc/75/16/98/828751698.db2.gz LFHKIYMTKKBTQC-STQMWFEESA-N 1 3 332.470 -0.742 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001130421751 828827449 /nfs/dbraw/zinc/82/74/49/828827449.db2.gz IIDJJEMMEVASLO-UHFFFAOYSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001130427963 828831609 /nfs/dbraw/zinc/83/16/09/828831609.db2.gz WSHIPVPQWOWGKO-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001130427963 828831619 /nfs/dbraw/zinc/83/16/19/828831619.db2.gz WSHIPVPQWOWGKO-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001114404813 826235733 /nfs/dbraw/zinc/23/57/33/826235733.db2.gz HSOAEJABYSIQNX-YQFWSFKMSA-N 1 3 334.464 -0.005 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179982588 833031762 /nfs/dbraw/zinc/03/17/62/833031762.db2.gz AOAYFUIHVIUQDF-STQMWFEESA-N 1 3 339.440 -0.541 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001114998961 826396787 /nfs/dbraw/zinc/39/67/87/826396787.db2.gz ZSSCDNJBPRIFJW-AIANPOQGSA-N 1 3 343.468 -0.602 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001114998961 826396791 /nfs/dbraw/zinc/39/67/91/826396791.db2.gz ZSSCDNJBPRIFJW-AIANPOQGSA-N 1 3 343.468 -0.602 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115292752 826497803 /nfs/dbraw/zinc/49/78/03/826497803.db2.gz USCBUFYPMMYFJD-QDEZUTFSSA-N 1 3 348.447 -0.286 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001120530962 827241021 /nfs/dbraw/zinc/24/10/21/827241021.db2.gz PPIGUZRSWAKTSF-IPYPFGDCSA-N 1 3 338.452 -0.672 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653068 833170557 /nfs/dbraw/zinc/17/05/57/833170557.db2.gz VCKVJEXLGOBQJB-KGLIPLIRSA-N 1 3 346.497 -0.447 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653341 833170779 /nfs/dbraw/zinc/17/07/79/833170779.db2.gz YHOAWNPOQWFIIH-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181653006 833171144 /nfs/dbraw/zinc/17/11/44/833171144.db2.gz TWHMLTLWZOJIKE-CHWSQXEVSA-N 1 3 337.424 -0.787 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001182963513 833270836 /nfs/dbraw/zinc/27/08/36/833270836.db2.gz CWUJKEXONFILBL-VXGBXAGGSA-N 1 3 345.419 -0.688 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1)C1CC1 ZINC001183267281 833285296 /nfs/dbraw/zinc/28/52/96/833285296.db2.gz LUQBGYQESITICJ-ZIAGYGMSSA-N 1 3 331.482 -0.048 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)N(C)C ZINC001183581497 833296076 /nfs/dbraw/zinc/29/60/76/833296076.db2.gz KXSHEMFVHNACSL-CHWSQXEVSA-N 1 3 339.440 -0.495 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183582066 833296351 /nfs/dbraw/zinc/29/63/51/833296351.db2.gz QRBJLJGVHUAHNQ-YNEHKIRRSA-N 1 3 341.456 -0.249 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001183759555 833305042 /nfs/dbraw/zinc/30/50/42/833305042.db2.gz MKFZMUDALAJCMZ-CYBMUJFWSA-N 1 3 325.457 -0.068 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001183760389 833305080 /nfs/dbraw/zinc/30/50/80/833305080.db2.gz XHINXTRABVSRKC-HUUCEWRRSA-N 1 3 345.484 -0.069 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081790 828248371 /nfs/dbraw/zinc/24/83/71/828248371.db2.gz BPEMGIAXKGEZQV-NWDGAFQWSA-N 1 3 327.429 -0.591 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081790 828248377 /nfs/dbraw/zinc/24/83/77/828248377.db2.gz BPEMGIAXKGEZQV-NWDGAFQWSA-N 1 3 327.429 -0.591 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255707 828269054 /nfs/dbraw/zinc/26/90/54/828269054.db2.gz KYNYDDFNFIAJBS-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255707 828269059 /nfs/dbraw/zinc/26/90/59/828269059.db2.gz KYNYDDFNFIAJBS-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571412 828303952 /nfs/dbraw/zinc/30/39/52/828303952.db2.gz RDVJTKFGMBQSNJ-YUELXQCFSA-N 1 3 340.468 -0.426 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778890 828328573 /nfs/dbraw/zinc/32/85/73/828328573.db2.gz HSGVOEBHSFSGSR-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778890 828328583 /nfs/dbraw/zinc/32/85/83/828328583.db2.gz HSGVOEBHSFSGSR-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786225 828332267 /nfs/dbraw/zinc/33/22/67/828332267.db2.gz WTEKPPRTXIEMIU-KBPBESRZSA-N 1 3 326.441 -0.672 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786225 828332274 /nfs/dbraw/zinc/33/22/74/828332274.db2.gz WTEKPPRTXIEMIU-KBPBESRZSA-N 1 3 326.441 -0.672 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708804 828919700 /nfs/dbraw/zinc/91/97/00/828919700.db2.gz IPQLFDNPVVGWKG-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708804 828919701 /nfs/dbraw/zinc/91/97/01/828919701.db2.gz IPQLFDNPVVGWKG-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130708852 828920009 /nfs/dbraw/zinc/92/00/09/828920009.db2.gz KLDQUXDSUNKFNQ-NWDGAFQWSA-N 1 3 327.429 -0.604 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130708852 828920012 /nfs/dbraw/zinc/92/00/12/828920012.db2.gz KLDQUXDSUNKFNQ-NWDGAFQWSA-N 1 3 327.429 -0.604 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001184858057 833341594 /nfs/dbraw/zinc/34/15/94/833341594.db2.gz FZSCQZALBDQMDY-RBSFLKMASA-N 1 3 338.452 -0.434 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001185249516 833351444 /nfs/dbraw/zinc/35/14/44/833351444.db2.gz ZDLKWKXMRIPCDX-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@H]2CN(C)CCN2C)CC[NH+](C)CC1 ZINC001185261813 833352870 /nfs/dbraw/zinc/35/28/70/833352870.db2.gz HSQQIROEEVYAPP-CYBMUJFWSA-N 1 3 326.441 -0.624 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCCN2CCCS2(=O)=O)C1 ZINC001185408652 833357947 /nfs/dbraw/zinc/35/79/47/833357947.db2.gz VCWITCVZDIPBOK-CYBMUJFWSA-N 1 3 332.470 -0.836 20 0 EBADHO CC(C)CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416602 833358468 /nfs/dbraw/zinc/35/84/68/833358468.db2.gz YNKVIVNUVXGZJS-CYBMUJFWSA-N 1 3 341.456 -0.390 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651103 833364883 /nfs/dbraw/zinc/36/48/83/833364883.db2.gz RUXHECAJPBTIDK-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185651103 833364885 /nfs/dbraw/zinc/36/48/85/833364885.db2.gz RUXHECAJPBTIDK-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185550562 833361110 /nfs/dbraw/zinc/36/11/10/833361110.db2.gz UUGZGRJNNZSDOW-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185724267 833368285 /nfs/dbraw/zinc/36/82/85/833368285.db2.gz WUKNPINGYKPODU-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001131564325 829159497 /nfs/dbraw/zinc/15/94/97/829159497.db2.gz HPJLWZAIHMFPCC-CJNGLKHVSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCCNS(C)(=O)=O)CCCCC1 ZINC001131799765 829223174 /nfs/dbraw/zinc/22/31/74/829223174.db2.gz UXBSILCAIVSDFM-UHFFFAOYSA-N 1 3 348.513 -0.247 20 0 EBADHO C[C@@H](NCCNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)NC(N)=O ZINC001131822130 829229864 /nfs/dbraw/zinc/22/98/64/829229864.db2.gz JSABSMUXJSUSNI-GFCCVEGCSA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@@H](NCCNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)NC(N)=O ZINC001131822130 829229872 /nfs/dbraw/zinc/22/98/72/829229872.db2.gz JSABSMUXJSUSNI-GFCCVEGCSA-N 1 3 341.456 -0.070 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001186487296 833403373 /nfs/dbraw/zinc/40/33/73/833403373.db2.gz JAPMOWWJCSGDFQ-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO CC(C)(C(=O)NCCNCCN1CCCS1(=O)=O)[NH+]1CCCC1 ZINC001132283926 829405595 /nfs/dbraw/zinc/40/55/95/829405595.db2.gz ORWZOVJPOONFOA-UHFFFAOYSA-N 1 3 346.497 -0.398 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286650 829407363 /nfs/dbraw/zinc/40/73/63/829407363.db2.gz KXLIBBYXBLXKRX-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001132886209 829545072 /nfs/dbraw/zinc/54/50/72/829545072.db2.gz FYBFPTPFCMZYJY-STQMWFEESA-N 1 3 334.486 -0.686 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001132886209 829545074 /nfs/dbraw/zinc/54/50/74/829545074.db2.gz FYBFPTPFCMZYJY-STQMWFEESA-N 1 3 334.486 -0.686 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051761 829578334 /nfs/dbraw/zinc/57/83/34/829578334.db2.gz NSACHGKHHXWELX-CYBMUJFWSA-N 1 3 343.472 -0.096 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051762 829578755 /nfs/dbraw/zinc/57/87/55/829578755.db2.gz NSACHGKHHXWELX-ZDUSSCGKSA-N 1 3 343.472 -0.096 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC001133281604 829614523 /nfs/dbraw/zinc/61/45/23/829614523.db2.gz DPEPXNSACBQXGS-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)CC1 ZINC001133281617 829615022 /nfs/dbraw/zinc/61/50/22/829615022.db2.gz DYPUCYCRKRRPMM-UHFFFAOYSA-N 1 3 341.456 -0.342 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCCNS(=O)(=O)c1ccccc1 ZINC001133291512 829617149 /nfs/dbraw/zinc/61/71/49/829617149.db2.gz SROGUMIIVUOMMY-UHFFFAOYSA-N 1 3 342.465 -0.378 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001133434485 829631178 /nfs/dbraw/zinc/63/11/78/829631178.db2.gz TWRNDQXDNBGLTO-DZGCQCFKSA-N 1 3 328.457 -0.569 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001133434510 829631602 /nfs/dbraw/zinc/63/16/02/829631602.db2.gz VFOUEEAWXANPRX-GFCCVEGCSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133819994 829679112 /nfs/dbraw/zinc/67/91/12/829679112.db2.gz URPYOAQYYLAJAS-ZDUSSCGKSA-N 1 3 332.470 -0.788 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133823937 829681221 /nfs/dbraw/zinc/68/12/21/829681221.db2.gz STRLCBVHEKEKCP-LBPRGKRZSA-N 1 3 325.413 -0.882 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846331 829685104 /nfs/dbraw/zinc/68/51/04/829685104.db2.gz YZDXGUIJXKVMCJ-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846331 829685107 /nfs/dbraw/zinc/68/51/07/829685107.db2.gz YZDXGUIJXKVMCJ-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001133845416 829685223 /nfs/dbraw/zinc/68/52/23/829685223.db2.gz FJWGYTVGKNGENZ-KBPBESRZSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001133851022 829686531 /nfs/dbraw/zinc/68/65/31/829686531.db2.gz UZMPJKIDWZKYNY-HUUCEWRRSA-N 1 3 343.468 -0.410 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862620 829688048 /nfs/dbraw/zinc/68/80/48/829688048.db2.gz DQIKCVRMENTKAI-NEPJUHHUSA-N 1 3 341.456 -0.486 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133862620 829688052 /nfs/dbraw/zinc/68/80/52/829688052.db2.gz DQIKCVRMENTKAI-NEPJUHHUSA-N 1 3 341.456 -0.486 20 0 EBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896727 829694828 /nfs/dbraw/zinc/69/48/28/829694828.db2.gz QLMNTYWNSMCHMQ-LSDHHAIUSA-N 1 3 345.484 -0.164 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133905459 829696203 /nfs/dbraw/zinc/69/62/03/829696203.db2.gz AQYAYPHNXSZOQB-AWEZNQCLSA-N 1 3 333.473 -0.306 20 0 EBADHO CN(CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)CC(C)(C)C ZINC001133905812 829696553 /nfs/dbraw/zinc/69/65/53/829696553.db2.gz IMOOFYLICRBNKQ-AWEZNQCLSA-N 1 3 342.484 -0.347 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021011 829713373 /nfs/dbraw/zinc/71/33/73/829713373.db2.gz NVWBNFFQUAVVFK-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](COCC(=O)NCCNCC(=O)NCC1CC1)[NH+]1CCCC1 ZINC001134054409 829718701 /nfs/dbraw/zinc/71/87/01/829718701.db2.gz IHPCUWMXVXUOPP-CQSZACIVSA-N 1 3 340.468 -0.281 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134582977 829797121 /nfs/dbraw/zinc/79/71/21/829797121.db2.gz CMDUXYDTHXEZRG-NWDGAFQWSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134583679 829797243 /nfs/dbraw/zinc/79/72/43/829797243.db2.gz NDMQXTXJRHTOCC-WDEREUQCSA-N 1 3 327.429 -0.462 20 0 EBADHO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001134613272 829804168 /nfs/dbraw/zinc/80/41/68/829804168.db2.gz UKERFGMNYLFBLM-WDEREUQCSA-N 1 3 327.429 -0.462 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758992 829839566 /nfs/dbraw/zinc/83/95/66/829839566.db2.gz DVAKEWGESIWIGL-AWEZNQCLSA-N 1 3 348.513 -0.104 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095941 829898189 /nfs/dbraw/zinc/89/81/89/829898189.db2.gz XEWNWJLZRORAIX-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)S(C)(=O)=O ZINC001135095941 829898193 /nfs/dbraw/zinc/89/81/93/829898193.db2.gz XEWNWJLZRORAIX-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@@H](NCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001135336519 829947348 /nfs/dbraw/zinc/94/73/48/829947348.db2.gz ALOVOBWPOGQEEO-LLVKDONJSA-N 1 3 335.408 -0.349 20 0 EBADHO CN1CCC[C@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959335 830052255 /nfs/dbraw/zinc/05/22/55/830052255.db2.gz OSPPJOHOLJZWEJ-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCNC(=O)[C@H](C)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963384 830052724 /nfs/dbraw/zinc/05/27/24/830052724.db2.gz INKBIKQKXIXCJL-ZDUSSCGKSA-N 1 3 328.457 -0.282 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NCCNCCN(C)S(C)(=O)=O)CC1 ZINC001146383063 830195787 /nfs/dbraw/zinc/19/57/87/830195787.db2.gz AXBCOZDUOCQPMU-UHFFFAOYSA-N 1 3 348.513 -0.296 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 ZINC001146711747 830222401 /nfs/dbraw/zinc/22/24/01/830222401.db2.gz VYEPMXROIFYXLQ-UHFFFAOYSA-N 1 3 338.456 -0.574 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 ZINC001146711747 830222406 /nfs/dbraw/zinc/22/24/06/830222406.db2.gz VYEPMXROIFYXLQ-UHFFFAOYSA-N 1 3 338.456 -0.574 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)C ZINC001146712036 830223196 /nfs/dbraw/zinc/22/31/96/830223196.db2.gz ZZGKWDGPGPVLCJ-GFCCVEGCSA-N 1 3 329.445 -0.343 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)C ZINC001146712036 830223203 /nfs/dbraw/zinc/22/32/03/830223203.db2.gz ZZGKWDGPGPVLCJ-GFCCVEGCSA-N 1 3 329.445 -0.343 20 0 EBADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842058 830419146 /nfs/dbraw/zinc/41/91/46/830419146.db2.gz KZKRHYIOWKYIBJ-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(CCN1C(=O)CNC1=O)C2 ZINC001148215608 830457876 /nfs/dbraw/zinc/45/78/76/830457876.db2.gz CTALCIWJXGZZCQ-UHFFFAOYSA-N 1 3 337.424 -0.976 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291695 830464975 /nfs/dbraw/zinc/46/49/75/830464975.db2.gz BBOUMYDENRDYQY-GJZGRUSLSA-N 1 3 325.453 -0.273 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291695 830464978 /nfs/dbraw/zinc/46/49/78/830464978.db2.gz BBOUMYDENRDYQY-GJZGRUSLSA-N 1 3 325.453 -0.273 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NCC(C)C ZINC001148577864 830512261 /nfs/dbraw/zinc/51/22/61/830512261.db2.gz HAALAUIKLRPVII-UHFFFAOYSA-N 1 3 343.472 -0.094 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NCC(C)C ZINC001148577864 830512269 /nfs/dbraw/zinc/51/22/69/830512269.db2.gz HAALAUIKLRPVII-UHFFFAOYSA-N 1 3 343.472 -0.094 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001149889481 830777479 /nfs/dbraw/zinc/77/74/79/830777479.db2.gz OHPCEENIWBOSNC-SOUVJXGZSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001149889481 830777482 /nfs/dbraw/zinc/77/74/82/830777482.db2.gz OHPCEENIWBOSNC-SOUVJXGZSA-N 1 3 331.457 -0.459 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291867 830859500 /nfs/dbraw/zinc/85/95/00/830859500.db2.gz PILSDJJARFWVTQ-HRCADAONSA-N 1 3 345.484 -0.213 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCCN1CCCS1(=O)=O ZINC001152340582 831154406 /nfs/dbraw/zinc/15/44/06/831154406.db2.gz SCCCRCQQGCJWNF-UHFFFAOYSA-N 1 3 346.497 -0.396 20 0 EBADHO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2CCCN2C)n(C)n1 ZINC001155822165 831433273 /nfs/dbraw/zinc/43/32/73/831433273.db2.gz KAOOUERNYWZBRI-CYBMUJFWSA-N 1 3 336.440 -0.143 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001157717015 831586725 /nfs/dbraw/zinc/58/67/25/831586725.db2.gz WFTRXPPWCRIODZ-XAYKYTGQSA-N 1 3 344.415 -0.457 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001157720103 831587863 /nfs/dbraw/zinc/58/78/63/831587863.db2.gz AINFVJSFTCTXRM-NSHDSACASA-N 1 3 325.438 -0.387 20 0 EBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001157843472 831597194 /nfs/dbraw/zinc/59/71/94/831597194.db2.gz RFDVYUVPVHJCDC-RDBSUJKOSA-N 1 3 348.451 -0.100 20 0 EBADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1O ZINC001157998262 831618017 /nfs/dbraw/zinc/61/80/17/831618017.db2.gz VPKJXQFZWCCGSH-XUXIUFHCSA-N 1 3 326.441 -0.727 20 0 EBADHO CC(C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)N1CCCCC1 ZINC001158074270 831625261 /nfs/dbraw/zinc/62/52/61/831625261.db2.gz XKMGAFMFLNGFII-UHFFFAOYSA-N 1 3 327.429 -0.458 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158414818 831652628 /nfs/dbraw/zinc/65/26/28/831652628.db2.gz IITSDXDCSZXTBB-OUCADQQQSA-N 1 3 332.408 -0.723 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001158486584 831659060 /nfs/dbraw/zinc/65/90/60/831659060.db2.gz OSEANZBLEQLZPE-GJZGRUSLSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001158486584 831659064 /nfs/dbraw/zinc/65/90/64/831659064.db2.gz OSEANZBLEQLZPE-GJZGRUSLSA-N 1 3 349.435 -0.056 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694175 831679363 /nfs/dbraw/zinc/67/93/63/831679363.db2.gz TUMQDFLDKGPHSW-NHIYQJMISA-N 1 3 338.452 -0.319 20 0 EBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2 ZINC001158891016 831693580 /nfs/dbraw/zinc/69/35/80/831693580.db2.gz SSZDXZSPRPJQSE-KRWDZBQOSA-N 1 3 337.468 -0.730 20 0 EBADHO COC[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)Cc2cn(C)nc21 ZINC001159017164 831704674 /nfs/dbraw/zinc/70/46/74/831704674.db2.gz ANYPGIJWUQGIBR-CKEIUWERSA-N 1 3 333.436 -0.309 20 0 EBADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]21 ZINC001159108374 831709322 /nfs/dbraw/zinc/70/93/22/831709322.db2.gz ACVHQEKHQYPMIB-LXTVHRRPSA-N 1 3 338.452 -0.687 20 0 EBADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001159135736 831711209 /nfs/dbraw/zinc/71/12/09/831711209.db2.gz YGWYQBCLEDEFJJ-VQNPYFGKSA-N 1 3 341.481 -0.501 20 0 EBADHO C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159607985 831765805 /nfs/dbraw/zinc/76/58/05/831765805.db2.gz DTLWZYHMYOMVIU-AAEUAGOBSA-N 1 3 348.451 -0.015 20 0 EBADHO [NH3+]C[C@H](O)CC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668587 831771659 /nfs/dbraw/zinc/77/16/59/831771659.db2.gz YNDJLNKBQVNBGX-OAGGEKHMSA-N 1 3 334.420 -0.407 20 0 EBADHO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH2+]CC23CNC3)O1 ZINC001159769848 831781327 /nfs/dbraw/zinc/78/13/27/831781327.db2.gz PLHPSOSOJBUTLC-YJNKXOJESA-N 1 3 348.447 -0.920 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159800767 831784092 /nfs/dbraw/zinc/78/40/92/831784092.db2.gz YBURZUUCELGJCR-ZIAGYGMSSA-N 1 3 331.424 -0.196 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001159915349 831796445 /nfs/dbraw/zinc/79/64/45/831796445.db2.gz JPAIWNUBMHSSKI-AWEZNQCLSA-N 1 3 346.497 -0.542 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932457 831799351 /nfs/dbraw/zinc/79/93/51/831799351.db2.gz RSFGBLKCZXLPFT-CMPLNLGQSA-N 1 3 327.429 -0.733 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159973545 831802154 /nfs/dbraw/zinc/80/21/54/831802154.db2.gz HPVSPWFOHHORKG-CYBMUJFWSA-N 1 3 331.424 -0.074 20 0 EBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997310 831802691 /nfs/dbraw/zinc/80/26/91/831802691.db2.gz LLKKYYMBPMNTKW-GOEBONIOSA-N 1 3 345.484 -0.021 20 0 EBADHO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160084453 831813473 /nfs/dbraw/zinc/81/34/73/831813473.db2.gz FTGCYCFIPTUSDY-RGCMKSIDSA-N 1 3 349.435 -0.953 20 0 EBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CCO2 ZINC001160179504 831822892 /nfs/dbraw/zinc/82/28/92/831822892.db2.gz LNKYLLTUULVMHF-RDJZCZTQSA-N 1 3 338.452 -0.447 20 0 EBADHO [NH3+]C[C@H](O)CC(=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001160406045 831845311 /nfs/dbraw/zinc/84/53/11/831845311.db2.gz OAGZCFQVKDVRLG-GFCCVEGCSA-N 1 3 345.407 -0.591 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414831 831845704 /nfs/dbraw/zinc/84/57/04/831845704.db2.gz DJVGUUCTRXTALG-WMLDXEAASA-N 1 3 346.435 -0.112 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426099 831847991 /nfs/dbraw/zinc/84/79/91/831847991.db2.gz DGCVOSQLDHNQGL-HNNXBMFYSA-N 1 3 330.473 -0.179 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(CCc2ccccn2)CC1 ZINC001160483687 831854745 /nfs/dbraw/zinc/85/47/45/831854745.db2.gz VILBWEHLYZPBOA-INIZCTEOSA-N 1 3 329.448 -0.423 20 0 EBADHO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160494944 831857090 /nfs/dbraw/zinc/85/70/90/831857090.db2.gz VWICYHBPWUYLGV-IQJOONFLSA-N 1 3 333.410 -0.941 20 0 EBADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)CN1CCCC[C@H](N)C1=O ZINC001160539438 831861098 /nfs/dbraw/zinc/86/10/98/831861098.db2.gz SUUAAGIHTSFEHK-NWDGAFQWSA-N 1 3 332.408 -0.233 20 0 EBADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653147 831877173 /nfs/dbraw/zinc/87/71/73/831877173.db2.gz WIJORBRRVMDDMP-VNHYZAJKSA-N 1 3 349.435 -0.771 20 0 EBADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001160746858 831882880 /nfs/dbraw/zinc/88/28/80/831882880.db2.gz OCKRHJISOGJQCD-UKRRQHHQSA-N 1 3 326.441 -0.543 20 0 EBADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160747474 831882954 /nfs/dbraw/zinc/88/29/54/831882954.db2.gz SKQPQGAVNYNHDK-RYUDHWBXSA-N 1 3 332.470 -0.851 20 0 EBADHO O=C(NCCC1=CC[N@H+](CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001160754207 831883105 /nfs/dbraw/zinc/88/31/05/831883105.db2.gz DHAMHECZRHQHBS-UPTPFMHGSA-N 1 3 335.448 -0.020 20 0 EBADHO O=C(NCCC1=CC[N@@H+](CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001160754207 831883109 /nfs/dbraw/zinc/88/31/09/831883109.db2.gz DHAMHECZRHQHBS-UPTPFMHGSA-N 1 3 335.448 -0.020 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CNC[C@@H](F)C3)C[C@H]1C2 ZINC001160791874 831887710 /nfs/dbraw/zinc/88/77/10/831887710.db2.gz GSGRDKVDHILIHM-OZYNSXBJSA-N 1 3 339.411 -0.209 20 0 EBADHO Nc1cccnc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160825779 831892104 /nfs/dbraw/zinc/89/21/04/831892104.db2.gz KQMMQDUXPNNTFV-CXAGYDPISA-N 1 3 330.436 -0.489 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001160882998 831902890 /nfs/dbraw/zinc/90/28/90/831902890.db2.gz DTVVPFILVDMGOS-ZIAGYGMSSA-N 1 3 348.513 -0.296 20 0 EBADHO N[C@@H](C(=O)N1CCN(C(=O)c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC001160937118 831908373 /nfs/dbraw/zinc/90/83/73/831908373.db2.gz SSIFDTBNMKCANL-OAHLLOKOSA-N 1 3 331.420 -0.307 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000075 831913477 /nfs/dbraw/zinc/91/34/77/831913477.db2.gz OXYLQTLHLHQDEC-STQMWFEESA-N 1 3 326.441 -0.809 20 0 EBADHO CO[C@H](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161146866 831931113 /nfs/dbraw/zinc/93/11/13/831931113.db2.gz SPCVLSXIBRAQGA-SNPRPXQTSA-N 1 3 340.468 -0.073 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382286 831952382 /nfs/dbraw/zinc/95/23/82/831952382.db2.gz WMINTVJWUPVUQZ-QWHCGFSZSA-N 1 3 327.429 -0.915 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1=O ZINC001161390277 831952473 /nfs/dbraw/zinc/95/24/73/831952473.db2.gz XEOOITSKJRFZDH-CABCVRRESA-N 1 3 338.452 -0.351 20 0 EBADHO COc1cc(O[C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)ccn1 ZINC001161395003 831953219 /nfs/dbraw/zinc/95/32/19/831953219.db2.gz QTTOSSYAGLJIAP-UONOGXRCSA-N 1 3 332.404 -0.121 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1[nH]nc3c1CNCC3)CC2 ZINC001161483981 831965222 /nfs/dbraw/zinc/96/52/22/831965222.db2.gz REQNPJNQGYDIRC-BLLLJJGKSA-N 1 3 333.392 -0.577 20 0 EBADHO CN(C(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001350688473 832185439 /nfs/dbraw/zinc/18/54/39/832185439.db2.gz KALNQMYKUNUMHE-OAHLLOKOSA-N 1 3 340.468 -0.280 20 0 EBADHO Cn1ccc(N2CC[C@@H](NCCCNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001165781218 832237501 /nfs/dbraw/zinc/23/75/01/832237501.db2.gz LGVDGJLMEWWJJF-CYBMUJFWSA-N 1 3 336.440 -0.427 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001166010950 832245835 /nfs/dbraw/zinc/24/58/35/832245835.db2.gz XFFHFRYPYVISFQ-CYBMUJFWSA-N 1 3 336.502 -0.440 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166627462 832274832 /nfs/dbraw/zinc/27/48/32/832274832.db2.gz WBSMPVLMGPLFHS-LBPRGKRZSA-N 1 3 325.413 -0.882 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634132 832275805 /nfs/dbraw/zinc/27/58/05/832275805.db2.gz OUULUTBTVJUKNE-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001166668305 832278065 /nfs/dbraw/zinc/27/80/65/832278065.db2.gz YLUFKEUOVUNLEH-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001166667901 832278085 /nfs/dbraw/zinc/27/80/85/832278085.db2.gz KWFHQLOHCLDLEH-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ncc4c(n3)CCNC4)C[C@H]1C2 ZINC001167229093 832319333 /nfs/dbraw/zinc/31/93/33/832319333.db2.gz PXMYPYZWVRYAKB-KEIZMWOVSA-N 1 3 343.431 -0.043 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001352957178 832387223 /nfs/dbraw/zinc/38/72/23/832387223.db2.gz KCHKEKBRWGBSSG-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN1CCN(Cc2ccccc2CNC(=O)CNCC[NH3+])CC1 ZINC001353581026 832433988 /nfs/dbraw/zinc/43/39/88/832433988.db2.gz GJMYYVKCERYUIY-UHFFFAOYSA-N 1 3 333.480 -0.011 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001168762373 832434018 /nfs/dbraw/zinc/43/40/18/832434018.db2.gz ACDJCMMYESPMLR-UHFFFAOYSA-N 1 3 336.502 -0.294 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCCNCC(=O)Nc1nncs1 ZINC001171205785 832550733 /nfs/dbraw/zinc/55/07/33/832550733.db2.gz XJXCNUUUJGVLSM-UHFFFAOYSA-N 1 3 344.441 -0.849 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246526 832553549 /nfs/dbraw/zinc/55/35/49/832553549.db2.gz FNXAEXOPYAYOFQ-RISCZKNCSA-N 1 3 341.456 -0.214 20 0 EBADHO O=C(CNCCCNC(=O)C12CC[NH+](CC1)C2)Nc1cnccn1 ZINC001171303347 832555544 /nfs/dbraw/zinc/55/55/44/832555544.db2.gz GWCOBZJSHLTATE-UHFFFAOYSA-N 1 3 332.408 -0.393 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CCC[C@H]1C ZINC001175257123 832620189 /nfs/dbraw/zinc/62/01/89/832620189.db2.gz VANSHZWSAXEZIX-QWHCGFSZSA-N 1 3 341.456 -0.070 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001176992282 832727541 /nfs/dbraw/zinc/72/75/41/832727541.db2.gz LEEKDEVWOASNJD-CVEARBPZSA-N 1 3 345.484 -0.019 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178357248 832853567 /nfs/dbraw/zinc/85/35/67/832853567.db2.gz YKIKEKBSHWICIR-AVGNSLFASA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@@H]1CCCN1C ZINC001178356125 832853695 /nfs/dbraw/zinc/85/36/95/832853695.db2.gz IKSUHCCBTDKEEH-IHRRRGAJSA-N 1 3 346.497 -0.449 20 0 EBADHO NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001179080801 832951134 /nfs/dbraw/zinc/95/11/34/832951134.db2.gz KINBSNPOIOHHOV-XOYHFGRZSA-N 1 3 338.452 -0.399 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179439821 832979274 /nfs/dbraw/zinc/97/92/74/832979274.db2.gz ZIWSZDAWIKGCIX-SRVKXCTJSA-N 1 3 327.429 -0.509 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC[C@@H]2CCCO2)CCN1C(=O)CC[NH+](C)C ZINC001179481968 832982025 /nfs/dbraw/zinc/98/20/25/832982025.db2.gz NEJYAUOOKGSDMV-KKUMJFAQSA-N 1 3 340.468 -0.188 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179471801 832981963 /nfs/dbraw/zinc/98/19/63/832981963.db2.gz BOKDEGJGSUBDRJ-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115964 833902872 /nfs/dbraw/zinc/90/28/72/833902872.db2.gz WVKYFXSEBBVXKA-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001187231817 833911861 /nfs/dbraw/zinc/91/18/61/833911861.db2.gz RNRIHRYAALHCMQ-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NCC)C1 ZINC001187298703 833916981 /nfs/dbraw/zinc/91/69/81/833916981.db2.gz LJRVGVXZJLEHJV-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NCC)C1 ZINC001187298703 833916985 /nfs/dbraw/zinc/91/69/85/833916985.db2.gz LJRVGVXZJLEHJV-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001188145934 834014485 /nfs/dbraw/zinc/01/44/85/834014485.db2.gz RMGGWVCCFMZMBQ-OAHLLOKOSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001189667704 834177640 /nfs/dbraw/zinc/17/76/40/834177640.db2.gz IIYNSEYRJNGDMO-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001189667704 834177642 /nfs/dbraw/zinc/17/76/42/834177642.db2.gz IIYNSEYRJNGDMO-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189906803 834207895 /nfs/dbraw/zinc/20/78/95/834207895.db2.gz PCLIWSVACACVLM-BFHYXJOUSA-N 1 3 336.436 -0.334 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189906803 834207900 /nfs/dbraw/zinc/20/79/00/834207900.db2.gz PCLIWSVACACVLM-BFHYXJOUSA-N 1 3 336.436 -0.334 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319681 835537304 /nfs/dbraw/zinc/53/73/04/835537304.db2.gz OKJYYBLDBFNDET-FVQBIDKESA-N 1 3 341.452 -0.705 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001197826204 835614209 /nfs/dbraw/zinc/61/42/09/835614209.db2.gz QMZQXOABFYLKCC-ARFHVFGLSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001199827008 835866718 /nfs/dbraw/zinc/86/67/18/835866718.db2.gz QTIPLMWWSILBJP-CMPLNLGQSA-N 1 3 325.413 -0.755 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200628034 835998114 /nfs/dbraw/zinc/99/81/14/835998114.db2.gz QUNVNEAABXSONV-KGLIPLIRSA-N 1 3 346.447 -0.381 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200703285 836020659 /nfs/dbraw/zinc/02/06/59/836020659.db2.gz AXRUDAPRKVVJLU-ZFWWWQNUSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCO[C@@H](CNCC(=O)N(C)C)C1)[NH+](C)C ZINC001200737298 836028450 /nfs/dbraw/zinc/02/84/50/836028450.db2.gz LQGVHUIHDXSQJU-HOCLYGCPSA-N 1 3 342.484 -0.132 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887689 836060084 /nfs/dbraw/zinc/06/00/84/836060084.db2.gz OTHIDSORCYGNTP-CQSZACIVSA-N 1 3 338.452 -0.432 20 0 EBADHO CC(C)(C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001201130056 836100467 /nfs/dbraw/zinc/10/04/67/836100467.db2.gz UYEUIDRAGVTCLL-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246413 836117934 /nfs/dbraw/zinc/11/79/34/836117934.db2.gz SUXUZQNWOPVOGO-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246413 836117938 /nfs/dbraw/zinc/11/79/38/836117938.db2.gz SUXUZQNWOPVOGO-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262043 836119977 /nfs/dbraw/zinc/11/99/77/836119977.db2.gz ROUVZJMNNUWCKV-STQMWFEESA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)N2CCCC2)C1 ZINC001201318596 836128618 /nfs/dbraw/zinc/12/86/18/836128618.db2.gz PYFFXIKTOPHILQ-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NCC2CC2)C1 ZINC001201333633 836129839 /nfs/dbraw/zinc/12/98/39/836129839.db2.gz BAFOEMJAIVJAKB-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CN1CC[C@H](NC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201334989 836130576 /nfs/dbraw/zinc/13/05/76/836130576.db2.gz MDCAWQCTCSSTQE-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335701 836130810 /nfs/dbraw/zinc/13/08/10/836130810.db2.gz QARPGLSETNSPGS-AWEZNQCLSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN1CC[C@H](NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335403 836130840 /nfs/dbraw/zinc/13/08/40/836130840.db2.gz OBYYTLAQQDFNOB-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201403642 836141105 /nfs/dbraw/zinc/14/11/05/836141105.db2.gz NXUBNSGRLCEFHU-CVEARBPZSA-N 1 3 343.468 -0.313 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001201410291 836142138 /nfs/dbraw/zinc/14/21/38/836142138.db2.gz FVKZIWNLSXYCDH-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001201557043 836159444 /nfs/dbraw/zinc/15/94/44/836159444.db2.gz CCJJZNSLKYECHD-LSDHHAIUSA-N 1 3 340.468 -0.057 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201560159 836160955 /nfs/dbraw/zinc/16/09/55/836160955.db2.gz YTXVMQMAMKFIFG-HUUCEWRRSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201560159 836160961 /nfs/dbraw/zinc/16/09/61/836160961.db2.gz YTXVMQMAMKFIFG-HUUCEWRRSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H](C)C(=O)NC)C1 ZINC001201808204 836194808 /nfs/dbraw/zinc/19/48/08/836194808.db2.gz BLVQHYGPVFMITQ-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H](C)C(=O)NC)C1 ZINC001201808204 836194811 /nfs/dbraw/zinc/19/48/11/836194811.db2.gz BLVQHYGPVFMITQ-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863377 836207233 /nfs/dbraw/zinc/20/72/33/836207233.db2.gz LXANWUGSDHTEDS-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863377 836207238 /nfs/dbraw/zinc/20/72/38/836207238.db2.gz LXANWUGSDHTEDS-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201924600 836216042 /nfs/dbraw/zinc/21/60/42/836216042.db2.gz PUUDVNQEAYNECD-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001201924444 836217405 /nfs/dbraw/zinc/21/74/05/836217405.db2.gz LTKXMVKLIDCUSB-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001201924444 836217411 /nfs/dbraw/zinc/21/74/11/836217411.db2.gz LTKXMVKLIDCUSB-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO NC(=O)CNC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202086228 836251976 /nfs/dbraw/zinc/25/19/76/836251976.db2.gz BXXMMRHIPBHIKO-HNNXBMFYSA-N 1 3 340.468 -0.055 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202134035 836259717 /nfs/dbraw/zinc/25/97/17/836259717.db2.gz KQARPGGSRBRZJS-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001202163619 836265668 /nfs/dbraw/zinc/26/56/68/836265668.db2.gz HQOPYOJPIROXKO-HUUCEWRRSA-N 1 3 340.468 -0.236 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496244 836309160 /nfs/dbraw/zinc/30/91/60/836309160.db2.gz QQAIPOGWQUCQEV-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1)N(C)C ZINC001202531342 836311297 /nfs/dbraw/zinc/31/12/97/836311297.db2.gz FTPPTKBXTXSTHM-YPMHNXCESA-N 1 3 341.456 -0.249 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202668121 836333197 /nfs/dbraw/zinc/33/31/97/836333197.db2.gz QKCLRZPRAXKOFQ-UHFFFAOYSA-N 1 3 336.396 -0.622 20 0 EBADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203520996 836441703 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EBADHO NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063672 836939005 /nfs/dbraw/zinc/93/90/05/836939005.db2.gz RSGXHGSKYCQYRS-CHWSQXEVSA-N 1 3 337.424 -0.896 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208261221 836965771 /nfs/dbraw/zinc/96/57/71/836965771.db2.gz LFGPOKYCFLRPJS-NWDGAFQWSA-N 1 3 345.419 -0.558 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631261 837184284 /nfs/dbraw/zinc/18/42/84/837184284.db2.gz DYJRWSCDFGMSQG-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209643704 837185649 /nfs/dbraw/zinc/18/56/49/837185649.db2.gz VOGBGKBWLYHABR-VXGBXAGGSA-N 1 3 325.413 -0.896 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210217494 837256795 /nfs/dbraw/zinc/25/67/95/837256795.db2.gz JDHSXIVAFJVNRX-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210228434 837257457 /nfs/dbraw/zinc/25/74/57/837257457.db2.gz IQEUBPYTIPQSAJ-HOTGVXAUSA-N 1 3 345.484 -0.067 20 0 EBADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314732 837270141 /nfs/dbraw/zinc/27/01/41/837270141.db2.gz DDPFLDBUFIOADI-HUUCEWRRSA-N 1 3 331.457 -0.336 20 0 EBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338768 837273230 /nfs/dbraw/zinc/27/32/30/837273230.db2.gz INJSATKXMWCAEP-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673879 837315374 /nfs/dbraw/zinc/31/53/74/837315374.db2.gz IZJJIRGHTUFSQH-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673879 837315384 /nfs/dbraw/zinc/31/53/84/837315384.db2.gz IZJJIRGHTUFSQH-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001210674155 837316869 /nfs/dbraw/zinc/31/68/69/837316869.db2.gz OCXSGOACYITEFF-RYUDHWBXSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001210674155 837316881 /nfs/dbraw/zinc/31/68/81/837316881.db2.gz OCXSGOACYITEFF-RYUDHWBXSA-N 1 3 325.413 -0.896 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001210685135 837320843 /nfs/dbraw/zinc/32/08/43/837320843.db2.gz ONESHGHEUNODMS-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210810893 837333209 /nfs/dbraw/zinc/33/32/09/837333209.db2.gz GQJPIWZLGAEDGH-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210811916 837333626 /nfs/dbraw/zinc/33/36/26/837333626.db2.gz ROKUHWOVHYOFNG-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210811422 837333780 /nfs/dbraw/zinc/33/37/80/837333780.db2.gz NSHFUWRRZXOKOP-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064751 837378656 /nfs/dbraw/zinc/37/86/56/837378656.db2.gz QLFMPIVABLNWLA-OLZOCXBDSA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064751 837378667 /nfs/dbraw/zinc/37/86/67/837378667.db2.gz QLFMPIVABLNWLA-OLZOCXBDSA-N 1 3 339.440 -0.636 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064429 837378713 /nfs/dbraw/zinc/37/87/13/837378713.db2.gz NKBJCPOTVNVRSA-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064429 837378723 /nfs/dbraw/zinc/37/87/23/837378723.db2.gz NKBJCPOTVNVRSA-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CO[C@@H]1CN(CCC[C@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730792 837853286 /nfs/dbraw/zinc/85/32/86/837853286.db2.gz XWMPPKXFHYPGLQ-RRFJBIMHSA-N 1 3 331.457 -0.459 20 0 EBADHO C[C@H]1C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC001325646092 839905205 /nfs/dbraw/zinc/90/52/05/839905205.db2.gz HZBXQHHZVOGDQO-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)CC1CC[NH+](C)CC1 ZINC001326102675 840033399 /nfs/dbraw/zinc/03/33/99/840033399.db2.gz INADQBJMXKJOGJ-UHFFFAOYSA-N 1 3 328.457 -0.783 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001327079515 840293570 /nfs/dbraw/zinc/29/35/70/840293570.db2.gz IDRRUYFPHVWAOC-AWEZNQCLSA-N 1 3 341.456 -0.831 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC001327510423 840440180 /nfs/dbraw/zinc/44/01/80/840440180.db2.gz RIWYTHGPMCDOHP-UHFFFAOYSA-N 1 3 337.468 -0.920 20 0 EBADHO C[C@H]([NH2+]CCCOC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001329773246 841014858 /nfs/dbraw/zinc/01/48/58/841014858.db2.gz ISWMJYYKJZPMIJ-DZGCQCFKSA-N 1 3 340.468 -0.058 20 0 EBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC001330593159 841242553 /nfs/dbraw/zinc/24/25/53/841242553.db2.gz YSURSCSEHIHAET-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001333140874 841804387 /nfs/dbraw/zinc/80/43/87/841804387.db2.gz KNBHHZYYDMXVMX-JXQTWKCFSA-N 1 3 348.513 -0.299 20 0 EBADHO CC(C)[NH+]1CCN(CCC(=O)N2CC(N3CCN(C)CC3)C2)CC1 ZINC001333280700 841842750 /nfs/dbraw/zinc/84/27/50/841842750.db2.gz CHJMIDQSIDKEKP-UHFFFAOYSA-N 1 3 337.512 -0.139 20 0 EBADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001335214583 842227974 /nfs/dbraw/zinc/22/79/74/842227974.db2.gz AIPMABYEGZJGNP-ZFWWWQNUSA-N 1 3 338.452 -0.447 20 0 EBADHO [NH3+]CCNCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001340091182 842969819 /nfs/dbraw/zinc/96/98/19/842969819.db2.gz PWHUAHOFKSBVFC-UHFFFAOYSA-N 1 3 333.436 -0.001 20 0 EBADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691098434 1125832713 /nfs/dbraw/zinc/83/27/13/1125832713.db2.gz LVGYUKVEHARGHZ-SCRDCRAPSA-N 1 3 336.436 -0.240 20 0 EBADHO CCS(=O)(=O)NCCNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230629 1125948547 /nfs/dbraw/zinc/94/85/47/1125948547.db2.gz BJGLMXOGDSPAHT-AWEZNQCLSA-N 1 3 346.497 -0.685 20 0 EBADHO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CCCCN1C ZINC001481246982 1125952167 /nfs/dbraw/zinc/95/21/67/1125952167.db2.gz DVNSQTCJFGYZMQ-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001481319456 1125973062 /nfs/dbraw/zinc/97/30/62/1125973062.db2.gz FHARVSGADONFTG-CQSZACIVSA-N 1 3 348.513 -0.344 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481507037 1126005385 /nfs/dbraw/zinc/00/53/85/1126005385.db2.gz PVEHLLQFEKKPEJ-KGLIPLIRSA-N 1 3 346.497 -0.732 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481507037 1126005387 /nfs/dbraw/zinc/00/53/87/1126005387.db2.gz PVEHLLQFEKKPEJ-KGLIPLIRSA-N 1 3 346.497 -0.732 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497097 1126003561 /nfs/dbraw/zinc/00/35/61/1126003561.db2.gz IDZVMQTZVFXARE-NEPJUHHUSA-N 1 3 327.429 -0.698 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481507036 1126005258 /nfs/dbraw/zinc/00/52/58/1126005258.db2.gz PVEHLLQFEKKPEJ-KBPBESRZSA-N 1 3 346.497 -0.732 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481507036 1126005259 /nfs/dbraw/zinc/00/52/59/1126005259.db2.gz PVEHLLQFEKKPEJ-KBPBESRZSA-N 1 3 346.497 -0.732 20 0 EBADHO COCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482066670 1126075368 /nfs/dbraw/zinc/07/53/68/1126075368.db2.gz DPFATCCZIUKLEG-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482066670 1126075369 /nfs/dbraw/zinc/07/53/69/1126075369.db2.gz DPFATCCZIUKLEG-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293205 1126121274 /nfs/dbraw/zinc/12/12/74/1126121274.db2.gz WSENWILRDNRMFQ-LLVKDONJSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293206 1126121304 /nfs/dbraw/zinc/12/13/04/1126121304.db2.gz WSENWILRDNRMFQ-NSHDSACASA-N 1 3 327.429 -0.637 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482738373 1126272449 /nfs/dbraw/zinc/27/24/49/1126272449.db2.gz FCBQXZRUMGYCKM-ZIAGYGMSSA-N 1 3 326.441 -0.840 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482738373 1126272450 /nfs/dbraw/zinc/27/24/50/1126272450.db2.gz FCBQXZRUMGYCKM-ZIAGYGMSSA-N 1 3 326.441 -0.840 20 0 EBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001482747621 1126276773 /nfs/dbraw/zinc/27/67/73/1126276773.db2.gz LMWVAIJREIMFPS-OAHLLOKOSA-N 1 3 333.436 -0.020 20 0 EBADHO C[C@H]1CCCCN1C(=O)CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764402 1126281387 /nfs/dbraw/zinc/28/13/87/1126281387.db2.gz PVXGSDKBBAWHJL-KBPBESRZSA-N 1 3 328.457 -0.594 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1)CC(C)(C)C ZINC001482769100 1126283174 /nfs/dbraw/zinc/28/31/74/1126283174.db2.gz GFELSGLFAPWCOM-AWEZNQCLSA-N 1 3 325.457 -0.035 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950328 1126306295 /nfs/dbraw/zinc/30/62/95/1126306295.db2.gz NGYYLBQZJREGQJ-HNNXBMFYSA-N 1 3 340.468 -0.375 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482950328 1126306296 /nfs/dbraw/zinc/30/62/96/1126306296.db2.gz NGYYLBQZJREGQJ-HNNXBMFYSA-N 1 3 340.468 -0.375 20 0 EBADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001482959281 1126306812 /nfs/dbraw/zinc/30/68/12/1126306812.db2.gz ADADQOIMRNSELT-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001691603273 1126325020 /nfs/dbraw/zinc/32/50/20/1126325020.db2.gz XVGMTEBZTAJHIO-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001691603273 1126325021 /nfs/dbraw/zinc/32/50/21/1126325021.db2.gz XVGMTEBZTAJHIO-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483456095 1126428709 /nfs/dbraw/zinc/42/87/09/1126428709.db2.gz MOBKIBNWGNDGJA-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484355541 1126565080 /nfs/dbraw/zinc/56/50/80/1126565080.db2.gz HIJGKWLIPJQLGC-NWDGAFQWSA-N 1 3 325.413 -0.896 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001484377392 1126566445 /nfs/dbraw/zinc/56/64/45/1126566445.db2.gz FTOGBCWLBOZWEJ-MNOVXSKESA-N 1 3 336.396 -0.908 20 0 EBADHO C[C@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001493806815 1126594240 /nfs/dbraw/zinc/59/42/40/1126594240.db2.gz PFPLKKLPOFLQAE-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001484494258 1126597104 /nfs/dbraw/zinc/59/71/04/1126597104.db2.gz WKBLLTCPBYMECD-INIZCTEOSA-N 1 3 346.447 -0.645 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001484494258 1126597106 /nfs/dbraw/zinc/59/71/06/1126597106.db2.gz WKBLLTCPBYMECD-INIZCTEOSA-N 1 3 346.447 -0.645 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001484494259 1126597272 /nfs/dbraw/zinc/59/72/72/1126597272.db2.gz WKBLLTCPBYMECD-MRXNPFEDSA-N 1 3 346.447 -0.645 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001484494259 1126597273 /nfs/dbraw/zinc/59/72/73/1126597273.db2.gz WKBLLTCPBYMECD-MRXNPFEDSA-N 1 3 346.447 -0.645 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676931 1126618317 /nfs/dbraw/zinc/61/83/17/1126618317.db2.gz GOGYCVGUMBSXMM-LSDHHAIUSA-N 1 3 338.452 -0.719 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001484692164 1126619768 /nfs/dbraw/zinc/61/97/68/1126619768.db2.gz ZLUSNIBPOCEVTM-HNNXBMFYSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484682825 1126620706 /nfs/dbraw/zinc/62/07/06/1126620706.db2.gz VVEPOHRUCFNBBF-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484682825 1126620707 /nfs/dbraw/zinc/62/07/07/1126620707.db2.gz VVEPOHRUCFNBBF-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001484686436 1126621811 /nfs/dbraw/zinc/62/18/11/1126621811.db2.gz UGAXXLDPWNDWFA-CYBMUJFWSA-N 1 3 326.441 -0.767 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484695783 1126624721 /nfs/dbraw/zinc/62/47/21/1126624721.db2.gz IRSVTWYAOGXAAM-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001484695783 1126624723 /nfs/dbraw/zinc/62/47/23/1126624723.db2.gz IRSVTWYAOGXAAM-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001484964307 1126657091 /nfs/dbraw/zinc/65/70/91/1126657091.db2.gz HGMHMRMSSWPHMX-CQSZACIVSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001484965240 1126657433 /nfs/dbraw/zinc/65/74/33/1126657433.db2.gz YINYHFXBXCXNPK-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)CC(=O)NC(N)=O)CC2)C1 ZINC001485764197 1126826917 /nfs/dbraw/zinc/82/69/17/1126826917.db2.gz YNZCTOHRGJLLSO-LBPRGKRZSA-N 1 3 339.440 -0.554 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)CC(=O)NC(N)=O)CC2)C1 ZINC001485764197 1126826925 /nfs/dbraw/zinc/82/69/25/1126826925.db2.gz YNZCTOHRGJLLSO-LBPRGKRZSA-N 1 3 339.440 -0.554 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001485854813 1126897401 /nfs/dbraw/zinc/89/74/01/1126897401.db2.gz HJQHHPJFUDNSTB-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032805 1127002348 /nfs/dbraw/zinc/00/23/48/1127002348.db2.gz DEUSZSWPNDYTHY-ZIAGYGMSSA-N 1 3 326.441 -0.983 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486086138 1127029077 /nfs/dbraw/zinc/02/90/77/1127029077.db2.gz UOQVOBMEJXKXAP-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001486095199 1127032222 /nfs/dbraw/zinc/03/22/22/1127032222.db2.gz HJZIUUWSYHDVFV-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280842 1127077752 /nfs/dbraw/zinc/07/77/52/1127077752.db2.gz JQAITBOSOXGIKC-CABCVRRESA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001486280842 1127077759 /nfs/dbraw/zinc/07/77/59/1127077759.db2.gz JQAITBOSOXGIKC-CABCVRRESA-N 1 3 340.468 -0.452 20 0 EBADHO CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302883 1127107363 /nfs/dbraw/zinc/10/73/63/1127107363.db2.gz HDXPAMGCDPFLCJ-HUUCEWRRSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486309906 1127114546 /nfs/dbraw/zinc/11/45/46/1127114546.db2.gz MWXNKPVLXRXWFL-UONOGXRCSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486309906 1127114548 /nfs/dbraw/zinc/11/45/48/1127114548.db2.gz MWXNKPVLXRXWFL-UONOGXRCSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486310001 1127114857 /nfs/dbraw/zinc/11/48/57/1127114857.db2.gz HWJMORJUHCEDEU-ZFWWWQNUSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486317861 1127120322 /nfs/dbraw/zinc/12/03/22/1127120322.db2.gz RIIUSPFNLDBXKZ-ZFWWWQNUSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486317861 1127120324 /nfs/dbraw/zinc/12/03/24/1127120324.db2.gz RIIUSPFNLDBXKZ-ZFWWWQNUSA-N 1 3 340.468 -0.594 20 0 EBADHO Cc1ncc(CNC[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001486311456 1127124499 /nfs/dbraw/zinc/12/44/99/1127124499.db2.gz IWEUCSQYYCHHGT-HNNXBMFYSA-N 1 3 333.436 -0.210 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001410114557 1127578128 /nfs/dbraw/zinc/57/81/28/1127578128.db2.gz ATGLWWNFOANZBZ-ZDUSSCGKSA-N 1 3 342.484 -0.206 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001410114557 1127578130 /nfs/dbraw/zinc/57/81/30/1127578130.db2.gz ATGLWWNFOANZBZ-ZDUSSCGKSA-N 1 3 342.484 -0.206 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001410121491 1127585381 /nfs/dbraw/zinc/58/53/81/1127585381.db2.gz NYUSWPJYKAHFLT-GUIRCDHDSA-N 1 3 331.420 -0.167 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001410121491 1127585383 /nfs/dbraw/zinc/58/53/83/1127585383.db2.gz NYUSWPJYKAHFLT-GUIRCDHDSA-N 1 3 331.420 -0.167 20 0 EBADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001410166387 1127623800 /nfs/dbraw/zinc/62/38/00/1127623800.db2.gz ZAZARKIXONQGLC-KGLIPLIRSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)N1CCOCC1)[NH+](C)C ZINC001410387690 1127697064 /nfs/dbraw/zinc/69/70/64/1127697064.db2.gz QMQGQSFEKAFKMI-HOCLYGCPSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001410480463 1127726367 /nfs/dbraw/zinc/72/63/67/1127726367.db2.gz QSZSECAKXBTSSO-ZDUSSCGKSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CC1CC1)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001410690982 1127815747 /nfs/dbraw/zinc/81/57/47/1127815747.db2.gz ZZSHTWVRBYIKJS-LSDHHAIUSA-N 1 3 340.468 -0.594 20 0 EBADHO CCN1CC[C@H](N[C@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767467 1127872270 /nfs/dbraw/zinc/87/22/70/1127872270.db2.gz XHPDMILOWOLOSM-GJZGRUSLSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1)[NH+](C)C ZINC001410986421 1127962006 /nfs/dbraw/zinc/96/20/06/1127962006.db2.gz OFPKLLXRMUEBRA-WCQYABFASA-N 1 3 341.456 -0.406 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001411082222 1128007802 /nfs/dbraw/zinc/00/78/02/1128007802.db2.gz MREVWTULRNLIOM-CQSZACIVSA-N 1 3 342.484 -0.348 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC1CCOCC1 ZINC001187835001 1128356074 /nfs/dbraw/zinc/35/60/74/1128356074.db2.gz MPIAEEGNSHAMGH-OAHLLOKOSA-N 1 3 338.452 -0.432 20 0 EBADHO CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)C ZINC001488058227 1128557319 /nfs/dbraw/zinc/55/73/19/1128557319.db2.gz NZEJGIDZJLXYJH-KBPBESRZSA-N 1 3 342.484 -0.206 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001488729069 1128832545 /nfs/dbraw/zinc/83/25/45/1128832545.db2.gz BJNCAVOHBNHOLA-XQQFMLRXSA-N 1 3 339.440 -0.462 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1)N(C)C ZINC001414034075 1131336997 /nfs/dbraw/zinc/33/69/97/1131336997.db2.gz HWGRWJXHWMEIPP-HZSPNIEDSA-N 1 3 328.457 -0.380 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001490558840 1129226145 /nfs/dbraw/zinc/22/61/45/1129226145.db2.gz PWYSPWFMTSKXFY-LBPRGKRZSA-N 1 3 325.413 -0.930 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001490953988 1130272066 /nfs/dbraw/zinc/27/20/66/1130272066.db2.gz CJXJNUYQMKGHGW-AVGNSLFASA-N 1 3 332.408 -0.396 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001490953988 1130272070 /nfs/dbraw/zinc/27/20/70/1130272070.db2.gz CJXJNUYQMKGHGW-AVGNSLFASA-N 1 3 332.408 -0.396 20 0 EBADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCCN(C)S(C)(=O)=O ZINC001491514036 1130478368 /nfs/dbraw/zinc/47/83/68/1130478368.db2.gz XAFNZWONIJJTMK-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523995 1130825583 /nfs/dbraw/zinc/82/55/83/1130825583.db2.gz IXYPQNSBMQTJAS-NWDGAFQWSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001480530722 1130826564 /nfs/dbraw/zinc/82/65/64/1130826564.db2.gz MYDFJCYFUNVPIP-QWRGUYRKSA-N 1 3 327.429 -0.591 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001413978228 1131187961 /nfs/dbraw/zinc/18/79/61/1131187961.db2.gz BAWAXWZKPHSCMI-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001413978228 1131187964 /nfs/dbraw/zinc/18/79/64/1131187964.db2.gz BAWAXWZKPHSCMI-RBSFLKMASA-N 1 3 340.468 -0.642 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366095325 1133001223 /nfs/dbraw/zinc/00/12/23/1133001223.db2.gz YJUKRELJHQJFEB-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001366095325 1133001232 /nfs/dbraw/zinc/00/12/32/1133001232.db2.gz YJUKRELJHQJFEB-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H](C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001366103378 1133007282 /nfs/dbraw/zinc/00/72/82/1133007282.db2.gz PKKOXHIITYMAPI-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001366174282 1133039757 /nfs/dbraw/zinc/03/97/57/1133039757.db2.gz UGIWJWXXKRNHHE-ZNMIVQPWSA-N 1 3 340.468 -0.141 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001367203868 1133500338 /nfs/dbraw/zinc/50/03/38/1133500338.db2.gz 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CC(C)N(C)CC(=O)NCCN1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001368364275 1134168106 /nfs/dbraw/zinc/16/81/06/1134168106.db2.gz MDHJQWKSZPABOH-UHFFFAOYSA-N 1 3 341.500 -0.415 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001368393291 1134196148 /nfs/dbraw/zinc/19/61/48/1134196148.db2.gz CUNAHDDPJWCAKB-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001368393291 1134196149 /nfs/dbraw/zinc/19/61/49/1134196149.db2.gz CUNAHDDPJWCAKB-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001368395929 1134199170 /nfs/dbraw/zinc/19/91/70/1134199170.db2.gz SYSFLOCDAGJMTC-RRFJBIMHSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001368395929 1134199175 /nfs/dbraw/zinc/19/91/75/1134199175.db2.gz SYSFLOCDAGJMTC-RRFJBIMHSA-N 1 3 340.468 -0.594 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368475221 1134246550 /nfs/dbraw/zinc/24/65/50/1134246550.db2.gz TZDCZCSHEXEVTJ-GFCCVEGCSA-N 1 3 339.440 -0.316 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368475221 1134246554 /nfs/dbraw/zinc/24/65/54/1134246554.db2.gz TZDCZCSHEXEVTJ-GFCCVEGCSA-N 1 3 339.440 -0.316 20 0 EBADHO C[C@H]1CN(C(=O)CNC2(CNC(=O)CC[NH+](C)C)CCC2)CCO1 ZINC001368481964 1134248531 /nfs/dbraw/zinc/24/85/31/1134248531.db2.gz AUEMODKZVICOJN-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001368538568 1134282465 /nfs/dbraw/zinc/28/24/65/1134282465.db2.gz ZTJUQWGYPWTEDI-SDDRHHMPSA-N 1 3 327.429 -0.606 20 0 EBADHO CNC(=O)CN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001368656587 1134359361 /nfs/dbraw/zinc/35/93/61/1134359361.db2.gz DWQSHCBBFOWBIY-GXTWGEPZSA-N 1 3 336.440 -0.759 20 0 EBADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001368673826 1134371272 /nfs/dbraw/zinc/37/12/72/1134371272.db2.gz NQMQGPMKWUCSEE-AGIUHOORSA-N 1 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CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCOCC1 ZINC001368895085 1134477926 /nfs/dbraw/zinc/47/79/26/1134477926.db2.gz PQYZONWOOJTBPL-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](NCC(=O)NC1CC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369149409 1134593834 /nfs/dbraw/zinc/59/38/34/1134593834.db2.gz LBTBAKJODSGFFN-GXTWGEPZSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@@H](NCC(=O)NC1CC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369160326 1134600253 /nfs/dbraw/zinc/60/02/53/1134600253.db2.gz ZJRTWHLIRLYSDG-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CN1CCC(C)CC1 ZINC001369397769 1134757985 /nfs/dbraw/zinc/75/79/85/1134757985.db2.gz HMOQEDPETYUYLK-OLZOCXBDSA-N 1 3 339.440 -0.508 20 0 EBADHO CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480527 1134846432 /nfs/dbraw/zinc/84/64/32/1134846432.db2.gz OGTLJJJGYZXPBI-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369480527 1134846435 /nfs/dbraw/zinc/84/64/35/1134846435.db2.gz OGTLJJJGYZXPBI-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001369490274 1134864694 /nfs/dbraw/zinc/86/46/94/1134864694.db2.gz OTLNDJZZDILRKU-WFASDCNBSA-N 1 3 336.436 -0.356 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001370014307 1135174438 /nfs/dbraw/zinc/17/44/38/1135174438.db2.gz HBMLVIFFKJSJCC-GJZGRUSLSA-N 1 3 335.452 -0.224 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001370480108 1135368001 /nfs/dbraw/zinc/36/80/01/1135368001.db2.gz OJFUYEBDUXNRAP-IJLUTSLNSA-N 1 3 345.419 -0.641 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001370709841 1135530614 /nfs/dbraw/zinc/53/06/14/1135530614.db2.gz FKVOVSPLRBOTLY-HZSPNIEDSA-N 1 3 325.457 -0.165 20 0 EBADHO CCCN(C)CC(=O)N(C)C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371016236 1135779048 /nfs/dbraw/zinc/77/90/48/1135779048.db2.gz MGBZZOLUDTVYGQ-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCOCC1 ZINC001371180996 1135857809 /nfs/dbraw/zinc/85/78/09/1135857809.db2.gz VGXFBBMZBMRYEP-DZGCQCFKSA-N 1 3 338.452 -0.719 20 0 EBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001371205437 1135864321 /nfs/dbraw/zinc/86/43/21/1135864321.db2.gz SXDWBOJECAKAKJ-KGLIPLIRSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001371477743 1135932290 /nfs/dbraw/zinc/93/22/90/1135932290.db2.gz YZQYIUINYQCOLB-ZDUSSCGKSA-N 1 3 334.486 -0.544 20 0 EBADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001371565488 1135971666 /nfs/dbraw/zinc/97/16/66/1135971666.db2.gz XJEDIKKTYVZTOT-HUUCEWRRSA-N 1 3 340.468 -0.236 20 0 EBADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001371730931 1136010370 /nfs/dbraw/zinc/01/03/70/1136010370.db2.gz IDKLLZYNGCEPNE-STQMWFEESA-N 1 3 334.424 -0.006 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)COCC(F)(F)F ZINC001372220820 1136143750 /nfs/dbraw/zinc/14/37/50/1136143750.db2.gz PDALNONDMUYPPM-NWDGAFQWSA-N 1 3 341.374 -0.074 20 0 EBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)COCC(F)(F)F ZINC001372220820 1136143752 /nfs/dbraw/zinc/14/37/52/1136143752.db2.gz PDALNONDMUYPPM-NWDGAFQWSA-N 1 3 341.374 -0.074 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001372941001 1136332485 /nfs/dbraw/zinc/33/24/85/1136332485.db2.gz MWGDAHNGUQIVKU-DGCLKSJQSA-N 1 3 339.440 -0.780 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CN(CCn2cncn2)C1 ZINC001373557631 1136495644 /nfs/dbraw/zinc/49/56/44/1136495644.db2.gz HZGCHOQVMHWGHT-CQSZACIVSA-N 1 3 336.440 -0.706 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001373971174 1136595956 /nfs/dbraw/zinc/59/59/56/1136595956.db2.gz WNGGOSIWWHEPSP-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001373971174 1136595958 /nfs/dbraw/zinc/59/59/58/1136595958.db2.gz WNGGOSIWWHEPSP-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H](CNC(=O)[C@@H](C)CN1CCOCC1)C[NH2+]Cc1cnon1 ZINC001374109965 1136624155 /nfs/dbraw/zinc/62/41/55/1136624155.db2.gz QUHYCKAVOWDONT-STQMWFEESA-N 1 3 325.413 -0.120 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001374231486 1136653740 /nfs/dbraw/zinc/65/37/40/1136653740.db2.gz FJBCNGBSZFBJTO-VXGBXAGGSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275663 1136663889 /nfs/dbraw/zinc/66/38/89/1136663889.db2.gz JIVJFHOPEYLDLY-NWDGAFQWSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)CN1CCCC1 ZINC001374323455 1136673682 /nfs/dbraw/zinc/67/36/82/1136673682.db2.gz BQOCPLDFHYMBLL-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001374323546 1136673727 /nfs/dbraw/zinc/67/37/27/1136673727.db2.gz CPJBRJUYZCGBQM-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CCNS(C)(=O)=O)C1 ZINC001374560699 1136719265 /nfs/dbraw/zinc/71/92/65/1136719265.db2.gz DUNGHRGOYKNDAL-KBPBESRZSA-N 1 3 346.497 -0.590 20 0 EBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001374615059 1136748624 /nfs/dbraw/zinc/74/86/24/1136748624.db2.gz LIIXINZEAAVFGG-OAHLLOKOSA-N 1 3 335.452 -0.137 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649973 1136774604 /nfs/dbraw/zinc/77/46/04/1136774604.db2.gz FABNXDNPYJVYRG-KGLIPLIRSA-N 1 3 326.441 -0.983 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001374672846 1136791774 /nfs/dbraw/zinc/79/17/74/1136791774.db2.gz AUHPGFRNGHHGQE-STQMWFEESA-N 1 3 337.424 -0.756 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687161 1136803078 /nfs/dbraw/zinc/80/30/78/1136803078.db2.gz ZJISQFBUYOALQF-HUUCEWRRSA-N 1 3 349.431 -0.024 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687161 1136803081 /nfs/dbraw/zinc/80/30/81/1136803081.db2.gz ZJISQFBUYOALQF-HUUCEWRRSA-N 1 3 349.431 -0.024 20 0 EBADHO CCCN(C)CC(=O)N1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001374749453 1136821781 /nfs/dbraw/zinc/82/17/81/1136821781.db2.gz JZQBCSTUUIDQOB-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374808797 1136838539 /nfs/dbraw/zinc/83/85/39/1136838539.db2.gz YVRQJHJQPZKICH-VOAKCMCISA-N 1 3 341.456 -0.345 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374808797 1136838542 /nfs/dbraw/zinc/83/85/42/1136838542.db2.gz YVRQJHJQPZKICH-VOAKCMCISA-N 1 3 341.456 -0.345 20 0 EBADHO COC(=O)CN(C)C(=O)CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341119274 291062898 /nfs/dbraw/zinc/06/28/98/291062898.db2.gz BKJSMMCGRYUSOF-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO COC(=O)CN(C)C(=O)CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341119274 291062904 /nfs/dbraw/zinc/06/29/04/291062904.db2.gz BKJSMMCGRYUSOF-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1=O ZINC000118883688 376116810 /nfs/dbraw/zinc/11/68/10/376116810.db2.gz ZYDHDUHQFIHJRE-ZDUSSCGKSA-N 1 3 336.440 -0.207 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COC1CC[NH2+]CC1 ZINC000584050039 376061959 /nfs/dbraw/zinc/06/19/59/376061959.db2.gz GIXIYLPRDJFSMV-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO COC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000556795363 376141563 /nfs/dbraw/zinc/14/15/63/376141563.db2.gz IKJVVZRJCALCHM-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)NC1C[NH2+]C1 ZINC000557262455 376167660 /nfs/dbraw/zinc/16/76/60/376167660.db2.gz KIDIEARNEFXALV-INIZCTEOSA-N 1 3 346.431 -0.518 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000557300189 376170027 /nfs/dbraw/zinc/17/00/27/376170027.db2.gz KLNVHHCBYSAMTE-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000584218027 376220196 /nfs/dbraw/zinc/22/01/96/376220196.db2.gz UOSTUFOVACXCBO-CABCVRRESA-N 1 3 342.484 -0.442 20 0 EBADHO CO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1C ZINC000560637384 376754295 /nfs/dbraw/zinc/75/42/95/376754295.db2.gz AHZDJJMFZSQJGG-LSDHHAIUSA-N 1 3 342.484 -0.178 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919794 376754442 /nfs/dbraw/zinc/75/44/42/376754442.db2.gz GSFWLJOBDVVBAG-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561249407 376822177 /nfs/dbraw/zinc/82/21/77/376822177.db2.gz UTTFTGNWZOIHLS-KRWDZBQOSA-N 1 3 340.468 -0.327 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627361428 376932397 /nfs/dbraw/zinc/93/23/97/376932397.db2.gz NZMGZMQPJDNVIE-ZDUSSCGKSA-N 1 3 326.441 -0.528 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC000562692459 376983424 /nfs/dbraw/zinc/98/34/24/376983424.db2.gz ODGSSHYABOLCKW-INIZCTEOSA-N 1 3 328.457 -0.688 20 0 EBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000562961591 377066972 /nfs/dbraw/zinc/06/69/72/377066972.db2.gz CTCBUJJDQBBXLA-LSDHHAIUSA-N 1 3 339.484 -0.580 20 0 EBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000562961591 377066980 /nfs/dbraw/zinc/06/69/80/377066980.db2.gz CTCBUJJDQBBXLA-LSDHHAIUSA-N 1 3 339.484 -0.580 20 0 EBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000569891104 377181866 /nfs/dbraw/zinc/18/18/66/377181866.db2.gz PHOONYLBMFAVSG-CVEARBPZSA-N 1 3 342.484 -0.836 20 0 EBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000569891104 377181874 /nfs/dbraw/zinc/18/18/74/377181874.db2.gz PHOONYLBMFAVSG-CVEARBPZSA-N 1 3 342.484 -0.836 20 0 EBADHO CN(C)C(=O)CCN1CCC([NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000567726482 377428494 /nfs/dbraw/zinc/42/84/94/377428494.db2.gz GOHPXSLGWXPSPH-MRXNPFEDSA-N 1 3 326.485 -0.026 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371245 377475596 /nfs/dbraw/zinc/47/55/96/377475596.db2.gz YYCJTWJDCZRSGS-SWLSCSKDSA-N 1 3 340.493 -0.059 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371244 377476366 /nfs/dbraw/zinc/47/63/66/377476366.db2.gz YYCJTWJDCZRSGS-IUODEOHRSA-N 1 3 340.493 -0.059 20 0 EBADHO CN1CCN(C)[C@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000601236877 377478328 /nfs/dbraw/zinc/47/83/28/377478328.db2.gz MMYVHDFVLUZOPO-MRXNPFEDSA-N 1 3 340.516 -0.443 20 0 EBADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595866357 378030616 /nfs/dbraw/zinc/03/06/16/378030616.db2.gz KWPDMLNBARCRPY-CQSZACIVSA-N 1 3 327.425 -0.461 20 0 EBADHO COC(=O)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595977979 378042476 /nfs/dbraw/zinc/04/24/76/378042476.db2.gz QZTRNDRHRITZPE-KBPBESRZSA-N 1 3 326.441 -0.496 20 0 EBADHO COC(=O)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595977979 378042481 /nfs/dbraw/zinc/04/24/81/378042481.db2.gz QZTRNDRHRITZPE-KBPBESRZSA-N 1 3 326.441 -0.496 20 0 EBADHO COC(=O)C[C@H](N)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595977979 378042486 /nfs/dbraw/zinc/04/24/86/378042486.db2.gz QZTRNDRHRITZPE-KBPBESRZSA-N 1 3 326.441 -0.496 20 0 EBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CC[C@H](O)C3)C2)CC1 ZINC000636792002 378397428 /nfs/dbraw/zinc/39/74/28/378397428.db2.gz NSPOZJAOHVASPV-HOCLYGCPSA-N 1 3 339.484 -0.479 20 0 EBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CC[C@H](O)C3)C2)CC1 ZINC000636792002 378397433 /nfs/dbraw/zinc/39/74/33/378397433.db2.gz NSPOZJAOHVASPV-HOCLYGCPSA-N 1 3 339.484 -0.479 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000637262681 378552654 /nfs/dbraw/zinc/55/26/54/378552654.db2.gz BLYKAMRVNITAHJ-LBPRGKRZSA-N 1 3 349.501 -0.799 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000637262681 378552657 /nfs/dbraw/zinc/55/26/57/378552657.db2.gz BLYKAMRVNITAHJ-LBPRGKRZSA-N 1 3 349.501 -0.799 20 0 EBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000339636656 378963675 /nfs/dbraw/zinc/96/36/75/378963675.db2.gz QFKNKFCTQMCODI-UHFFFAOYSA-N 1 3 328.457 -0.330 20 0 EBADHO Cc1cc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000563605000 379051783 /nfs/dbraw/zinc/05/17/83/379051783.db2.gz ONKLZBGRVJZOJT-UHFFFAOYSA-N 1 3 339.440 -0.107 20 0 EBADHO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629581069 379053998 /nfs/dbraw/zinc/05/39/98/379053998.db2.gz MCBDWFUELULCJY-ZIAGYGMSSA-N 1 3 334.486 -0.697 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000563633593 379060419 /nfs/dbraw/zinc/06/04/19/379060419.db2.gz RKCBCQNXAJLYQD-UHFFFAOYSA-N 1 3 341.500 -0.284 20 0 EBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000339998901 379133058 /nfs/dbraw/zinc/13/30/58/379133058.db2.gz HVSVRVSPWGDSOD-OAHLLOKOSA-N 1 3 341.500 -0.605 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000629792063 379135683 /nfs/dbraw/zinc/13/56/83/379135683.db2.gz HCUKMMJVZVSHLQ-HNNXBMFYSA-N 1 3 340.468 -0.103 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000629795621 379139947 /nfs/dbraw/zinc/13/99/47/379139947.db2.gz KGQXOSGSNHYMAP-CQSZACIVSA-N 1 3 326.441 -0.493 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000629795620 379140759 /nfs/dbraw/zinc/14/07/59/379140759.db2.gz KGQXOSGSNHYMAP-AWEZNQCLSA-N 1 3 326.441 -0.493 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000629797819 379141316 /nfs/dbraw/zinc/14/13/16/379141316.db2.gz FLUSFVSOOKRZST-UHFFFAOYSA-N 1 3 326.441 -0.493 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000629798892 379142524 /nfs/dbraw/zinc/14/25/24/379142524.db2.gz MKUHHTRNMCXRCK-KGLIPLIRSA-N 1 3 328.457 -0.521 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000629797195 379145789 /nfs/dbraw/zinc/14/57/89/379145789.db2.gz WXNRDEPSYKRHAR-UHFFFAOYSA-N 1 3 328.457 -0.519 20 0 EBADHO COC[C@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554711 379216515 /nfs/dbraw/zinc/21/65/15/379216515.db2.gz IVZZPHAAODPXRB-YOEHRIQHSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000627312002 379304324 /nfs/dbraw/zinc/30/43/24/379304324.db2.gz MOTZKWPEBAKTLN-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1CO ZINC000621815512 379355309 /nfs/dbraw/zinc/35/53/09/379355309.db2.gz IATDKJFCVUTJJS-LSDHHAIUSA-N 1 3 342.484 -0.585 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000627411976 379584761 /nfs/dbraw/zinc/58/47/61/379584761.db2.gz ZXZGIPKHMZMNRX-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)C[NH2+]1 ZINC000627480025 379629462 /nfs/dbraw/zinc/62/94/62/379629462.db2.gz KCTOQDPCYJKQGB-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000627461494 379610508 /nfs/dbraw/zinc/61/05/08/379610508.db2.gz RFRZKSANCBTWSG-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000627464535 379614790 /nfs/dbraw/zinc/61/47/90/379614790.db2.gz FBUADIHPRIXQBV-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626973889 379767764 /nfs/dbraw/zinc/76/77/64/379767764.db2.gz LIEGDDJQLWSVTK-UHFFFAOYSA-N 1 3 343.472 -0.406 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000626964517 379768647 /nfs/dbraw/zinc/76/86/47/379768647.db2.gz SQVFNAHABQMXPQ-BFHYXJOUSA-N 1 3 325.457 -0.021 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000627484559 379841688 /nfs/dbraw/zinc/84/16/88/379841688.db2.gz BBEKHIWOZHYIAL-CQSZACIVSA-N 1 3 326.441 -0.445 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000627172833 379821149 /nfs/dbraw/zinc/82/11/49/379821149.db2.gz HGXVNWUJTNRXQN-UHFFFAOYSA-N 1 3 341.500 -0.109 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000627174062 379821283 /nfs/dbraw/zinc/82/12/83/379821283.db2.gz IEDXXHYBJHZSJI-CQSZACIVSA-N 1 3 341.456 -0.830 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633138900 379947454 /nfs/dbraw/zinc/94/74/54/379947454.db2.gz FIUDTSDUIKVRFR-OLZOCXBDSA-N 1 3 347.419 -0.313 20 0 EBADHO C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000354737234 380089691 /nfs/dbraw/zinc/08/96/91/380089691.db2.gz IIXZAVCNIRBHDU-GJZGRUSLSA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000546591410 380115544 /nfs/dbraw/zinc/11/55/44/380115544.db2.gz BXNGNSOXJZBMRN-GOEBONIOSA-N 1 3 327.473 -0.764 20 0 EBADHO C[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000546591410 380115555 /nfs/dbraw/zinc/11/55/55/380115555.db2.gz BXNGNSOXJZBMRN-GOEBONIOSA-N 1 3 327.473 -0.764 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638096609 380128496 /nfs/dbraw/zinc/12/84/96/380128496.db2.gz KNFQXZOEBYXJIP-YOEHRIQHSA-N 1 3 340.468 -0.199 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638096607 380129309 /nfs/dbraw/zinc/12/93/09/380129309.db2.gz KNFQXZOEBYXJIP-RHSMWYFYSA-N 1 3 340.468 -0.199 20 0 EBADHO CN1CCN(C)[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638138831 380202615 /nfs/dbraw/zinc/20/26/15/380202615.db2.gz HHLRNWKNAFHUKM-SJORKVTESA-N 1 3 333.480 -0.192 20 0 EBADHO CN1CCN(C)[C@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638138831 380202618 /nfs/dbraw/zinc/20/26/18/380202618.db2.gz HHLRNWKNAFHUKM-SJORKVTESA-N 1 3 333.480 -0.192 20 0 EBADHO CN1CCN(C)[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638138829 380203368 /nfs/dbraw/zinc/20/33/68/380203368.db2.gz HHLRNWKNAFHUKM-IAGOWNOFSA-N 1 3 333.480 -0.192 20 0 EBADHO CN1CCN(C)[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638138829 380203373 /nfs/dbraw/zinc/20/33/73/380203373.db2.gz HHLRNWKNAFHUKM-IAGOWNOFSA-N 1 3 333.480 -0.192 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CCC[NH+](C)C)CCSC1 ZINC000550837215 380260332 /nfs/dbraw/zinc/26/03/32/380260332.db2.gz YPSSRYLTXRCPDQ-OAHLLOKOSA-N 1 3 330.498 -0.050 20 0 EBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638241842 380308119 /nfs/dbraw/zinc/30/81/19/380308119.db2.gz TYTPVCQYDMGOAS-ZWKOTPCHSA-N 1 3 345.491 -0.048 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249812 380411822 /nfs/dbraw/zinc/41/18/22/380411822.db2.gz JHIWIYWUSMRALB-GJZGRUSLSA-N 1 3 335.452 -0.186 20 0 EBADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000638423729 380467497 /nfs/dbraw/zinc/46/74/97/380467497.db2.gz ANOFLLDGTHGJAX-ROUUACIJSA-N 1 3 345.491 -0.048 20 0 EBADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000638423729 380467505 /nfs/dbraw/zinc/46/75/05/380467505.db2.gz ANOFLLDGTHGJAX-ROUUACIJSA-N 1 3 345.491 -0.048 20 0 EBADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000638423727 380468368 /nfs/dbraw/zinc/46/83/68/380468368.db2.gz ANOFLLDGTHGJAX-MSOLQXFVSA-N 1 3 345.491 -0.048 20 0 EBADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000638423727 380468376 /nfs/dbraw/zinc/46/83/76/380468376.db2.gz ANOFLLDGTHGJAX-MSOLQXFVSA-N 1 3 345.491 -0.048 20 0 EBADHO CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566511727 380480033 /nfs/dbraw/zinc/48/00/33/380480033.db2.gz AWGAKHNUJHBOFK-KBPBESRZSA-N 1 3 341.456 -0.702 20 0 EBADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660691 380565396 /nfs/dbraw/zinc/56/53/96/380565396.db2.gz IBNLZDWVEFJAMJ-HUUCEWRRSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000340793880 380631763 /nfs/dbraw/zinc/63/17/63/380631763.db2.gz JRZGUZKPXPQLOV-LSDHHAIUSA-N 1 3 341.500 -0.558 20 0 EBADHO C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000573234666 380665097 /nfs/dbraw/zinc/66/50/97/380665097.db2.gz DUHNFVMMZQSGRL-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000573452647 380675006 /nfs/dbraw/zinc/67/50/06/380675006.db2.gz DQIZQFQCCABSNL-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO COC[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000573807114 380686665 /nfs/dbraw/zinc/68/66/65/380686665.db2.gz FQCQBXJSGPRYEG-CQSZACIVSA-N 1 3 328.457 -0.567 20 0 EBADHO COC[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000573807114 380686670 /nfs/dbraw/zinc/68/66/70/380686670.db2.gz FQCQBXJSGPRYEG-CQSZACIVSA-N 1 3 328.457 -0.567 20 0 EBADHO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795071 380687119 /nfs/dbraw/zinc/68/71/19/380687119.db2.gz KSVAVMDFYPVFDP-IAGOWNOFSA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795071 380687126 /nfs/dbraw/zinc/68/71/26/380687126.db2.gz KSVAVMDFYPVFDP-IAGOWNOFSA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795071 380687133 /nfs/dbraw/zinc/68/71/33/380687133.db2.gz KSVAVMDFYPVFDP-IAGOWNOFSA-N 1 3 328.501 -0.315 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](C3CC3)CC2)n1 ZINC000341422074 380699980 /nfs/dbraw/zinc/69/99/80/380699980.db2.gz QVBMZWWSITVBFC-UHFFFAOYSA-N 1 3 335.456 -0.600 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000577660322 380834961 /nfs/dbraw/zinc/83/49/61/380834961.db2.gz ZNJFFSKPYZDGTC-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000627427247 380856643 /nfs/dbraw/zinc/85/66/43/380856643.db2.gz AEIODKAPRIQKTE-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000578448832 380930285 /nfs/dbraw/zinc/93/02/85/380930285.db2.gz PBTKHGKISHMXFN-CYBMUJFWSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000376107001 380889629 /nfs/dbraw/zinc/88/96/29/380889629.db2.gz OHTZLGUWKOOESY-QWHCGFSZSA-N 1 3 335.456 -0.600 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000376107001 380889651 /nfs/dbraw/zinc/88/96/51/380889651.db2.gz OHTZLGUWKOOESY-QWHCGFSZSA-N 1 3 335.456 -0.600 20 0 EBADHO CC1CC[NH+](C[C@H](O)CNC[C@H](O)CN2CCN(C)CC2)CC1 ZINC000579712954 381010009 /nfs/dbraw/zinc/01/00/09/381010009.db2.gz ZATRJLMTAOOGSO-SJORKVTESA-N 1 3 328.501 -0.723 20 0 EBADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC000579712954 381010018 /nfs/dbraw/zinc/01/00/18/381010018.db2.gz ZATRJLMTAOOGSO-SJORKVTESA-N 1 3 328.501 -0.723 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581364124 381071542 /nfs/dbraw/zinc/07/15/42/381071542.db2.gz BGDWYLSBTNENSZ-CABCVRRESA-N 1 3 339.484 -0.994 20 0 EBADHO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(=O)n1C ZINC000617502582 381033565 /nfs/dbraw/zinc/03/35/65/381033565.db2.gz VDLVCZQHUGETJC-LBPRGKRZSA-N 1 3 326.445 -0.722 20 0 EBADHO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(=O)n1C ZINC000617502582 381033574 /nfs/dbraw/zinc/03/35/74/381033574.db2.gz VDLVCZQHUGETJC-LBPRGKRZSA-N 1 3 326.445 -0.722 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418307371 381034314 /nfs/dbraw/zinc/03/43/14/381034314.db2.gz SOVPMSGCOUBGDA-OAHLLOKOSA-N 1 3 327.473 -0.716 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418307343 381034666 /nfs/dbraw/zinc/03/46/66/381034666.db2.gz SLTPLQPFTSLRLD-HNNXBMFYSA-N 1 3 327.473 -0.356 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642440185 381094057 /nfs/dbraw/zinc/09/40/57/381094057.db2.gz YDJLEFKGBLKVOL-MJBXVCDLSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000583802297 381142722 /nfs/dbraw/zinc/14/27/22/381142722.db2.gz OUWJELKGVCOORS-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000642517668 381158007 /nfs/dbraw/zinc/15/80/07/381158007.db2.gz GXXCUPBEFHCEKK-OAHLLOKOSA-N 1 3 339.484 -0.676 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418404333 381201712 /nfs/dbraw/zinc/20/17/12/381201712.db2.gz QEFWSSZDKNAYNH-CQSZACIVSA-N 1 3 325.457 -0.081 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418727462 381259312 /nfs/dbraw/zinc/25/93/12/381259312.db2.gz FGEZZWHVFFQCDU-NEPJUHHUSA-N 1 3 347.410 -0.083 20 0 EBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000633141412 381241102 /nfs/dbraw/zinc/24/11/02/381241102.db2.gz JZTPUUJOTRQKPT-QWHCGFSZSA-N 1 3 326.441 -0.496 20 0 EBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855282 381306578 /nfs/dbraw/zinc/30/65/78/381306578.db2.gz URNNPCHUYFUMOL-CVEARBPZSA-N 1 3 348.447 -0.538 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418883655 381330090 /nfs/dbraw/zinc/33/00/90/381330090.db2.gz VNYRSVUKGKHELI-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N(C)Cc1ccccc1 ZINC000418954444 381349007 /nfs/dbraw/zinc/34/90/07/381349007.db2.gz WKMYUHRGPXYJII-AWEZNQCLSA-N 1 3 336.436 -0.597 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419025775 381356129 /nfs/dbraw/zinc/35/61/29/381356129.db2.gz MWORHTXDABEDKU-KFWWJZLASA-N 1 3 340.468 -0.282 20 0 EBADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000419043367 381365018 /nfs/dbraw/zinc/36/50/18/381365018.db2.gz JGBSWQZTSYUECO-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000419043367 381365025 /nfs/dbraw/zinc/36/50/25/381365025.db2.gz JGBSWQZTSYUECO-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419123866 381383664 /nfs/dbraw/zinc/38/36/64/381383664.db2.gz QHUSRTUOSCBYRD-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419125289 381384609 /nfs/dbraw/zinc/38/46/09/381384609.db2.gz SXHNRKGBFKZTSQ-LSDHHAIUSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419125722 381387084 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20 0 EBADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1CCCC[C@@H](N)C1=O ZINC000643775857 419053480 /nfs/dbraw/zinc/05/34/80/419053480.db2.gz DLMOKDJIJJFDMY-HUUCEWRRSA-N 1 3 340.468 -0.105 20 0 EBADHO CC1(C)CN[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000647702947 419215908 /nfs/dbraw/zinc/21/59/08/419215908.db2.gz BYXMSIFGOFNIOT-GFCCVEGCSA-N 1 3 326.422 -0.140 20 0 EBADHO Cn1c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361657 419233680 /nfs/dbraw/zinc/23/36/80/419233680.db2.gz LWLMFBWMHBKCRV-BPLDGKMQSA-N 1 3 336.436 -0.055 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@]1(C)C[NH3+] ZINC000652624890 419241559 /nfs/dbraw/zinc/24/15/59/419241559.db2.gz PJMSYVOWVGFIMO-MLGOLLRUSA-N 1 3 336.440 -0.174 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000652704081 419301593 /nfs/dbraw/zinc/30/15/93/419301593.db2.gz FLCVSJAMQPXLQS-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CCO1 ZINC000652731414 419331037 /nfs/dbraw/zinc/33/10/37/419331037.db2.gz JQJNWEVVNVXJEE-KGLIPLIRSA-N 1 3 326.441 -0.495 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000346077522 419482201 /nfs/dbraw/zinc/48/22/01/419482201.db2.gz CJEFMIXZNHDYRN-UONOGXRCSA-N 1 3 340.468 -0.236 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000346537425 419490132 /nfs/dbraw/zinc/49/01/32/419490132.db2.gz UICBIRSNWXEMQG-DZGCQCFKSA-N 1 3 340.468 -0.378 20 0 EBADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000519691074 419535989 /nfs/dbraw/zinc/53/59/89/419535989.db2.gz YWAVFPVBINVQIQ-MRXNPFEDSA-N 1 3 345.447 -0.018 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(C)(C)O1 ZINC000519689753 419537442 /nfs/dbraw/zinc/53/74/42/419537442.db2.gz OIIOUFBOIBTLDS-CQSZACIVSA-N 1 3 342.484 -0.036 20 0 EBADHO COc1ncccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526132156 419597848 /nfs/dbraw/zinc/59/78/48/419597848.db2.gz MDMRCJLAKLRHSJ-UHFFFAOYSA-N 1 3 337.424 -0.020 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659711262 419771345 /nfs/dbraw/zinc/77/13/45/419771345.db2.gz YMXSOIHJNMQMBW-ZIAGYGMSSA-N 1 3 327.473 -0.900 20 0 EBADHO CC(C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)N1CCN(C)CC1 ZINC000121161579 419720179 /nfs/dbraw/zinc/72/01/79/419720179.db2.gz LHHUOCKXNQKOIJ-WBVHZDCISA-N 1 3 343.516 -0.130 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000659739600 419804292 /nfs/dbraw/zinc/80/42/92/419804292.db2.gz XNWRBRMWSUQUTN-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419899840 419814157 /nfs/dbraw/zinc/81/41/57/419814157.db2.gz ZIUPNXKAZABMQX-CYBMUJFWSA-N 1 3 347.419 -0.393 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419878679 419814758 /nfs/dbraw/zinc/81/47/58/419814758.db2.gz YDTAFHDHOUEEMH-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420024579 419840425 /nfs/dbraw/zinc/84/04/25/419840425.db2.gz AOQIRGQSTPPYEA-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2CCC([NH+](C)C)CC2)n1 ZINC000420621025 419849185 /nfs/dbraw/zinc/84/91/85/419849185.db2.gz CJBQPWSFWPFAFS-UHFFFAOYSA-N 1 3 337.472 -0.354 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000423205299 419922400 /nfs/dbraw/zinc/92/24/00/419922400.db2.gz FEEMWHRTDPKLEA-KFWWJZLASA-N 1 3 340.468 -0.249 20 0 EBADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)CC1 ZINC000423262037 419926401 /nfs/dbraw/zinc/92/64/01/419926401.db2.gz LNHAYTOLWNVHOI-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423259861 419927465 /nfs/dbraw/zinc/92/74/65/419927465.db2.gz FUMHJYIRMXNTJX-CZUORRHYSA-N 1 3 328.457 -0.534 20 0 EBADHO CC[N@H+](CCO)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000187107562 420707505 /nfs/dbraw/zinc/70/75/05/420707505.db2.gz PEFMDZOQVHBUQY-MRXNPFEDSA-N 1 3 343.516 -0.128 20 0 EBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000187107562 420707506 /nfs/dbraw/zinc/70/75/06/420707506.db2.gz PEFMDZOQVHBUQY-MRXNPFEDSA-N 1 3 343.516 -0.128 20 0 EBADHO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237890267 420738117 /nfs/dbraw/zinc/73/81/17/420738117.db2.gz ZBAITUZSHJKMPF-HNNXBMFYSA-N 1 3 338.452 -0.478 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000654927821 420846054 /nfs/dbraw/zinc/84/60/54/420846054.db2.gz CCINJIHXNOOHOB-MRXNPFEDSA-N 1 3 326.485 -0.166 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000654927821 420846056 /nfs/dbraw/zinc/84/60/56/420846056.db2.gz CCINJIHXNOOHOB-MRXNPFEDSA-N 1 3 326.485 -0.166 20 0 EBADHO CN1CCN(c2ccncc2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000649351763 420804252 /nfs/dbraw/zinc/80/42/52/420804252.db2.gz PVPIITWCAHJHOB-CYBMUJFWSA-N 1 3 346.435 -0.360 20 0 EBADHO CN(C)CCN1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1=O ZINC000655164164 420855106 /nfs/dbraw/zinc/85/51/06/420855106.db2.gz OUJQWZRMYGBJQG-UHFFFAOYSA-N 1 3 336.440 -0.709 20 0 EBADHO NC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(F)(F)F ZINC000655913626 420859423 /nfs/dbraw/zinc/85/94/23/420859423.db2.gz BQYOJDXZJJYTQO-ZJUUUORDSA-N 1 3 339.362 -0.237 20 0 EBADHO NC[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(F)(F)F ZINC000655913626 420859426 /nfs/dbraw/zinc/85/94/26/420859426.db2.gz BQYOJDXZJJYTQO-ZJUUUORDSA-N 1 3 339.362 -0.237 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656028757 420869330 /nfs/dbraw/zinc/86/93/30/420869330.db2.gz QLTNEPHZUUQKEH-XGUBFFRZSA-N 1 3 338.452 -0.306 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656325285 420890036 /nfs/dbraw/zinc/89/00/36/420890036.db2.gz NXCIQJIZOWQHBR-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO N[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@H]1F ZINC000659542864 421003284 /nfs/dbraw/zinc/00/32/84/421003284.db2.gz YMHNLDWSESMBRC-MXWKQRLJSA-N 1 3 341.353 -0.097 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000659685733 421014263 /nfs/dbraw/zinc/01/42/63/421014263.db2.gz VIZJXWTVLZYWQS-UHFFFAOYSA-N 1 3 328.457 -0.201 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCSC1 ZINC000659702619 421017155 /nfs/dbraw/zinc/01/71/55/421017155.db2.gz SZMBUUCHPKCKFX-KWCHVYNWSA-N 1 3 326.466 -0.592 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000659696010 421017264 /nfs/dbraw/zinc/01/72/64/421017264.db2.gz JSPRHZZKXJGIPR-ZDUSSCGKSA-N 1 3 332.448 -0.074 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659738195 421024482 /nfs/dbraw/zinc/02/44/82/421024482.db2.gz BIZXNANKZNINOV-LSDHHAIUSA-N 1 3 340.468 -0.155 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000659744754 421027301 /nfs/dbraw/zinc/02/73/01/421027301.db2.gz PRRWZHSRHJIYRP-OAHLLOKOSA-N 1 3 341.500 -0.428 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743219 421027723 /nfs/dbraw/zinc/02/77/23/421027723.db2.gz LLNQNENZGPOXFR-UUCFBXCCSA-N 1 3 338.452 -0.576 20 0 EBADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000664130340 421147457 /nfs/dbraw/zinc/14/74/57/421147457.db2.gz SXGSESXDYQDGJA-CYBMUJFWSA-N 1 3 325.457 -0.116 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000378214210 421191309 /nfs/dbraw/zinc/19/13/09/421191309.db2.gz BUYVNVAEVUTLQL-CQSZACIVSA-N 1 3 348.451 0.080 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)n1 ZINC000378214210 421191311 /nfs/dbraw/zinc/19/13/11/421191311.db2.gz BUYVNVAEVUTLQL-CQSZACIVSA-N 1 3 348.451 0.080 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419408884 264865575 /nfs/dbraw/zinc/86/55/75/264865575.db2.gz MIDMNMNPVKPPSA-LSDHHAIUSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000420021813 264914811 /nfs/dbraw/zinc/91/48/11/264914811.db2.gz IRHTXLRAXDYYIB-RDTXWAMCSA-N 1 3 348.447 -0.455 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000420064845 264920258 /nfs/dbraw/zinc/92/02/58/264920258.db2.gz OYEJTXXDLPDFPZ-XQQFMLRXSA-N 1 3 326.441 -0.374 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423262417 264993064 /nfs/dbraw/zinc/99/30/64/264993064.db2.gz MLGCPDKGFHQYQK-UONOGXRCSA-N 1 3 328.457 -0.534 20 0 EBADHO CN(CCN)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423475779 265006358 /nfs/dbraw/zinc/00/63/58/265006358.db2.gz KNLRLQIBRZMAPC-IYBDPMFKSA-N 1 3 330.432 -0.006 20 0 EBADHO CN(CCN)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423475779 265006360 /nfs/dbraw/zinc/00/63/60/265006360.db2.gz KNLRLQIBRZMAPC-IYBDPMFKSA-N 1 3 330.432 -0.006 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423752822 265041451 /nfs/dbraw/zinc/04/14/51/265041451.db2.gz WSFPIIFGOOPIPQ-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424553046 265076544 /nfs/dbraw/zinc/07/65/44/265076544.db2.gz QVAKSBLNHANJRP-KWCYVHTRSA-N 1 3 336.440 -0.870 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1)N(C)C ZINC000425311121 265091622 /nfs/dbraw/zinc/09/16/22/265091622.db2.gz FPSITSPDOJIFPQ-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1)N(C)C ZINC000425311121 265091623 /nfs/dbraw/zinc/09/16/23/265091623.db2.gz FPSITSPDOJIFPQ-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO NC(=O)[C@@H]1CCCN1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433136144 265185544 /nfs/dbraw/zinc/18/55/44/265185544.db2.gz KUNRPJCJABWDQR-HNNXBMFYSA-N 1 3 339.484 -0.354 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000516570619 272887124 /nfs/dbraw/zinc/88/71/24/272887124.db2.gz CGSQAFGSFSMGAT-QWHCGFSZSA-N 1 3 349.435 -0.019 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000665760738 545679503 /nfs/dbraw/zinc/67/95/03/545679503.db2.gz OFIXBILRHYCGKB-STQMWFEESA-N 1 3 328.461 -0.289 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000665760738 545679509 /nfs/dbraw/zinc/67/95/09/545679509.db2.gz OFIXBILRHYCGKB-STQMWFEESA-N 1 3 328.461 -0.289 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668659803 545728322 /nfs/dbraw/zinc/72/83/22/545728322.db2.gz YFLVGMOYDRRCNQ-HNNXBMFYSA-N 1 3 338.452 -0.746 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668659803 545728329 /nfs/dbraw/zinc/72/83/29/545728329.db2.gz YFLVGMOYDRRCNQ-HNNXBMFYSA-N 1 3 338.452 -0.746 20 0 EBADHO CC1(C)CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC[NH2+]1 ZINC000669486501 545879449 /nfs/dbraw/zinc/87/94/49/545879449.db2.gz RXUKTGQBCUBQOS-HNNXBMFYSA-N 1 3 339.484 -0.214 20 0 EBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000671033639 545899063 /nfs/dbraw/zinc/89/90/63/545899063.db2.gz QJOHKHSMDHVBHL-HNNXBMFYSA-N 1 3 339.484 -0.659 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1)C[NH+]1CCN(C)CC1 ZINC000671172516 545915793 /nfs/dbraw/zinc/91/57/93/545915793.db2.gz ZLMPIGJMMVFROA-LSDHHAIUSA-N 1 3 339.484 -0.804 20 0 EBADHO CN(CCOc1ccc(S(N)(=O)=O)cc1)CCN1CC[NH2+]CC1 ZINC000320617487 546062416 /nfs/dbraw/zinc/06/24/16/546062416.db2.gz BMSYPHVPKFKVKE-UHFFFAOYSA-N 1 3 342.465 -0.450 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000667812181 546063456 /nfs/dbraw/zinc/06/34/56/546063456.db2.gz GHBOSOOERGELNY-UONOGXRCSA-N 1 3 325.457 -0.116 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000667812181 546063460 /nfs/dbraw/zinc/06/34/60/546063460.db2.gz GHBOSOOERGELNY-UONOGXRCSA-N 1 3 325.457 -0.116 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cscn1 ZINC000671957603 546074195 /nfs/dbraw/zinc/07/41/95/546074195.db2.gz QVBYLIAYLGMJBG-UHFFFAOYSA-N 1 3 327.454 -0.289 20 0 EBADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675816446 546190293 /nfs/dbraw/zinc/19/02/93/546190293.db2.gz CLLLBSFYMCNCSG-HUUCEWRRSA-N 1 3 332.514 -0.117 20 0 EBADHO CC[N@H+]1CC[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675816446 546190297 /nfs/dbraw/zinc/19/02/97/546190297.db2.gz CLLLBSFYMCNCSG-HUUCEWRRSA-N 1 3 332.514 -0.117 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892578854 582582819 /nfs/dbraw/zinc/58/28/19/582582819.db2.gz YIZWRNPRDAUHSF-HDJSIYSDSA-N 1 3 325.457 -0.081 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765846 582587045 /nfs/dbraw/zinc/58/70/45/582587045.db2.gz HFSPETHKVYOVDS-XJKSGUPXSA-N 1 3 326.441 -0.489 20 0 EBADHO C[C@H](CNC(=O)c1cnc(C(=O)NC[C@H](C)N(C)C)cn1)[NH+](C)C ZINC000900164297 582763051 /nfs/dbraw/zinc/76/30/51/582763051.db2.gz YWVZOPBJDSZXKB-TXEJJXNPSA-N 1 3 336.440 -0.164 20 0 EBADHO C[C@H](CNC(=O)c1cnc(C(=O)NC[C@H](C)[NH+](C)C)cn1)N(C)C ZINC000900164297 582763053 /nfs/dbraw/zinc/76/30/53/582763053.db2.gz YWVZOPBJDSZXKB-TXEJJXNPSA-N 1 3 336.440 -0.164 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)CCCN(C)C)C2 ZINC000903552065 582811590 /nfs/dbraw/zinc/81/15/90/582811590.db2.gz HVWAOPYHMUYAGY-SCRDCRAPSA-N 1 3 333.454 -0.520 20 0 EBADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000768726740 583317163 /nfs/dbraw/zinc/31/71/63/583317163.db2.gz KLYNDFGXUAUHDG-CYBMUJFWSA-N 1 3 336.440 -0.016 20 0 EBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793797171 583570045 /nfs/dbraw/zinc/57/00/45/583570045.db2.gz YSHQCGHIOVIWPC-ZNMIVQPWSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNS(=O)(=O)CCN[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817912382 583730950 /nfs/dbraw/zinc/73/09/50/583730950.db2.gz UJOVRNBHLAUENF-LBPRGKRZSA-N 1 3 335.470 -0.163 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1=O ZINC000820848306 583781762 /nfs/dbraw/zinc/78/17/62/583781762.db2.gz QLNSMRUCDCTKCU-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000820848306 583781764 /nfs/dbraw/zinc/78/17/64/583781764.db2.gz QLNSMRUCDCTKCU-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CCCCC1 ZINC000842016025 584056329 /nfs/dbraw/zinc/05/63/29/584056329.db2.gz QSSZRAWDGWWZJA-KGLIPLIRSA-N 1 3 325.457 -0.922 20 0 EBADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000842164279 584058438 /nfs/dbraw/zinc/05/84/38/584058438.db2.gz HRGNQOKPFRUECP-ZNMIVQPWSA-N 1 3 338.452 -0.401 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000842164299 584058630 /nfs/dbraw/zinc/05/86/30/584058630.db2.gz IEZTXCBRLUGFBM-KGLIPLIRSA-N 1 3 338.452 -0.256 20 0 EBADHO [NH3+]C[C@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843348196 584076531 /nfs/dbraw/zinc/07/65/31/584076531.db2.gz CODOLWWZEPJZFN-GFCCVEGCSA-N 1 3 337.424 -0.057 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844170623 584089455 /nfs/dbraw/zinc/08/94/55/584089455.db2.gz KJUXGOKEUSXGIL-HOCLYGCPSA-N 1 3 340.468 -0.155 20 0 EBADHO [NH3+]CCC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846327849 584124614 /nfs/dbraw/zinc/12/46/14/584124614.db2.gz DXQGJJPZWXZDDP-HUUCEWRRSA-N 1 3 338.452 -0.447 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccnn1C ZINC000867437814 584130226 /nfs/dbraw/zinc/13/02/26/584130226.db2.gz FEKJLTWBVADBPY-ZDUSSCGKSA-N 1 3 338.456 -0.451 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852865585 584217743 /nfs/dbraw/zinc/21/77/43/584217743.db2.gz IOMIJNSJERCNBH-LBPRGKRZSA-N 1 3 325.413 -0.897 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000874172201 584479821 /nfs/dbraw/zinc/47/98/21/584479821.db2.gz IMTIZSSFNFCQBO-UKRRQHHQSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cn1 ZINC000874172201 584479824 /nfs/dbraw/zinc/47/98/24/584479824.db2.gz IMTIZSSFNFCQBO-UKRRQHHQSA-N 1 3 348.451 -0.064 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875088158 584489217 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EBADHO CCN1CCN(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884233904 584619720 /nfs/dbraw/zinc/61/97/20/584619720.db2.gz CCKMATKROKDRCW-UHFFFAOYSA-N 1 3 346.479 -0.142 20 0 EBADHO CCN(C(=O)C(=O)NC1CCN(CCN(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884517270 584625650 /nfs/dbraw/zinc/62/56/50/584625650.db2.gz JFRRALQZXOBUJO-OAHLLOKOSA-N 1 3 339.484 -0.661 20 0 EBADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000884560131 584627219 /nfs/dbraw/zinc/62/72/19/584627219.db2.gz OAQAHPQHRGINOE-KBPBESRZSA-N 1 3 338.452 -0.304 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884559897 584627246 /nfs/dbraw/zinc/62/72/46/584627246.db2.gz IGZWGJAUHNLTJD-KBXIAJHMSA-N 1 3 336.436 -0.681 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884597696 584628940 /nfs/dbraw/zinc/62/89/40/584628940.db2.gz HGFLBGQYVOIPTJ-OAHLLOKOSA-N 1 3 339.484 -0.530 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)N(C)C1CC1 ZINC000884617878 584629935 /nfs/dbraw/zinc/62/99/35/584629935.db2.gz UIYSGONLRIIOBI-GHMZBOCLSA-N 1 3 332.395 -0.054 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000884670370 584632635 /nfs/dbraw/zinc/63/26/35/584632635.db2.gz XMHTUPILRWYXED-GJZGRUSLSA-N 1 3 339.484 -0.674 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678538 584633770 /nfs/dbraw/zinc/63/37/70/584633770.db2.gz FFXZAGNSBMDPAM-IUODEOHRSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1c1ccncc1 ZINC000884706653 584634919 /nfs/dbraw/zinc/63/49/19/584634919.db2.gz KEILIPKOKNXVKK-DOMZBBRYSA-N 1 3 331.420 -0.028 20 0 EBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884726450 584636723 /nfs/dbraw/zinc/63/67/23/584636723.db2.gz SNVBQBHHBSQBOO-CQSZACIVSA-N 1 3 338.452 -0.432 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787697 584637755 /nfs/dbraw/zinc/63/77/55/584637755.db2.gz ZCHRYERPAACLLM-RYUDHWBXSA-N 1 3 332.395 -0.052 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885292523 584647401 /nfs/dbraw/zinc/64/74/01/584647401.db2.gz WEVNPITWAQVQRI-NEPJUHHUSA-N 1 3 332.395 -0.100 20 0 EBADHO CCN(C(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887067858 584674621 /nfs/dbraw/zinc/67/46/21/584674621.db2.gz AHWQUBKLCKJTII-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891439027 650047508 /nfs/dbraw/zinc/04/75/08/650047508.db2.gz ADEGPZJMVAKUBL-SYQHCUMBSA-N 1 3 337.424 -0.343 20 0 EBADHO CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446622 650063400 /nfs/dbraw/zinc/06/34/00/650063400.db2.gz JZXUJHZCMMYEAA-AEFFLSMTSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446622 650063401 /nfs/dbraw/zinc/06/34/01/650063401.db2.gz JZXUJHZCMMYEAA-AEFFLSMTSA-N 1 3 340.512 -0.172 20 0 EBADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000905446622 650063402 /nfs/dbraw/zinc/06/34/02/650063402.db2.gz JZXUJHZCMMYEAA-AEFFLSMTSA-N 1 3 340.512 -0.172 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907458124 650083712 /nfs/dbraw/zinc/08/37/12/650083712.db2.gz YAZYMGNUNYPDLN-DOTOQJQBSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907458124 650083714 /nfs/dbraw/zinc/08/37/14/650083714.db2.gz YAZYMGNUNYPDLN-DOTOQJQBSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907588744 650087412 /nfs/dbraw/zinc/08/74/12/650087412.db2.gz QSEBKVFHKPJFSE-AWEZNQCLSA-N 1 3 326.485 -0.217 20 0 EBADHO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907588744 650087415 /nfs/dbraw/zinc/08/74/15/650087415.db2.gz QSEBKVFHKPJFSE-AWEZNQCLSA-N 1 3 326.485 -0.217 20 0 EBADHO C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1CC(C)(C)O ZINC000907602024 650087456 /nfs/dbraw/zinc/08/74/56/650087456.db2.gz AYBKKPQWGJAHEU-CQSZACIVSA-N 1 3 326.485 -0.217 20 0 EBADHO C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCN1CC(C)(C)O ZINC000907602024 650087458 /nfs/dbraw/zinc/08/74/58/650087458.db2.gz AYBKKPQWGJAHEU-CQSZACIVSA-N 1 3 326.485 -0.217 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911002971 650144595 /nfs/dbraw/zinc/14/45/95/650144595.db2.gz DVJGSHKXPAKSGC-KRWDZBQOSA-N 1 3 338.452 -0.432 20 0 EBADHO CN(CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000911053318 650147794 /nfs/dbraw/zinc/14/77/94/650147794.db2.gz OMAOFHZQQYZEHL-ZDUSSCGKSA-N 1 3 338.452 -0.528 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)C1CC1 ZINC000911053144 650148152 /nfs/dbraw/zinc/14/81/52/650148152.db2.gz METGPXDMHUYVMG-CQSZACIVSA-N 1 3 338.452 -0.447 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911055915 650148853 /nfs/dbraw/zinc/14/88/53/650148853.db2.gz RDWCFHCWWBRHMT-WMLDXEAASA-N 1 3 340.468 -0.321 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911176586 650157231 /nfs/dbraw/zinc/15/72/31/650157231.db2.gz OWONDAUVSFWNNS-RHSMWYFYSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000911201048 650159165 /nfs/dbraw/zinc/15/91/65/650159165.db2.gz VUNCMYKECIJKLZ-TYNCELHUSA-N 1 3 328.482 -0.488 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412520 650180236 /nfs/dbraw/zinc/18/02/36/650180236.db2.gz NEMDXNJUHRSPNW-UHFFFAOYSA-N 1 3 341.500 -0.428 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C[NH+](C)C ZINC000911433935 650183471 /nfs/dbraw/zinc/18/34/71/650183471.db2.gz FJWFYTLHWTVPEZ-NUEKZKHPSA-N 1 3 348.447 -0.190 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N1CCNCCC12CCC2)C[NH+](C)C ZINC000911436473 650183979 /nfs/dbraw/zinc/18/39/79/650183979.db2.gz SWMLMSHWTZDGDS-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000911545522 650192566 /nfs/dbraw/zinc/19/25/66/650192566.db2.gz PPSRHLWIURQWKL-CZUORRHYSA-N 1 3 326.441 -0.588 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000911545522 650192568 /nfs/dbraw/zinc/19/25/68/650192568.db2.gz PPSRHLWIURQWKL-CZUORRHYSA-N 1 3 326.441 -0.588 20 0 EBADHO N[C@@H]1CCc2cc(C(=O)NCCCN3CC[NH2+]CC3)ccc2NC1=O ZINC000911631130 650194798 /nfs/dbraw/zinc/19/47/98/650194798.db2.gz YQKPJHFZNRPDHA-OAHLLOKOSA-N 1 3 345.447 -0.076 20 0 EBADHO C[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000923499250 650342018 /nfs/dbraw/zinc/34/20/18/650342018.db2.gz RRTFRUQSPFAEFT-LSDHHAIUSA-N 1 3 339.484 -0.865 20 0 EBADHO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1C[NH3+] ZINC000923499243 650342266 /nfs/dbraw/zinc/34/22/66/650342266.db2.gz RRTFRUQSPFAEFT-CABCVRRESA-N 1 3 339.484 -0.865 20 0 EBADHO CCN1CCN(C[C@H](C)CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923618623 650348077 /nfs/dbraw/zinc/34/80/77/650348077.db2.gz ATVZYLPQWQRVCQ-HUUCEWRRSA-N 1 3 332.514 -0.069 20 0 EBADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)N2CCNCC2)C1 ZINC000923652268 650350342 /nfs/dbraw/zinc/35/03/42/650350342.db2.gz KLTJVTAQVZTWMR-MCIONIFRSA-N 1 3 332.470 -0.503 20 0 EBADHO O=S(=O)(NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1)N1CCNCC1 ZINC000923650316 650350676 /nfs/dbraw/zinc/35/06/76/650350676.db2.gz NKSATVZSUOKNGQ-CQSZACIVSA-N 1 3 341.437 -0.938 20 0 EBADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926340933 650387581 /nfs/dbraw/zinc/38/75/81/650387581.db2.gz APZSGDSFDQLMNY-OAHLLOKOSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926340933 650387582 /nfs/dbraw/zinc/38/75/82/650387582.db2.gz APZSGDSFDQLMNY-OAHLLOKOSA-N 1 3 339.484 -0.659 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926332049 650386540 /nfs/dbraw/zinc/38/65/40/650386540.db2.gz HPALVMKOTKQDEL-KRWDZBQOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332496 650386655 /nfs/dbraw/zinc/38/66/55/650386655.db2.gz GEDVKTYNRPIIEL-PBHICJAKSA-N 1 3 338.452 -0.480 20 0 EBADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350969 650388474 /nfs/dbraw/zinc/38/84/74/650388474.db2.gz IAOWXEBKWHKCQV-OAHLLOKOSA-N 1 3 339.484 -0.802 20 0 EBADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350969 650388475 /nfs/dbraw/zinc/38/84/75/650388475.db2.gz IAOWXEBKWHKCQV-OAHLLOKOSA-N 1 3 339.484 -0.802 20 0 EBADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCNCCNCC1 ZINC000927880478 651510451 /nfs/dbraw/zinc/51/04/51/651510451.db2.gz VPCKYUZCHIBXHB-UHFFFAOYSA-N 1 3 347.463 -0.249 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929399890 651545921 /nfs/dbraw/zinc/54/59/21/651545921.db2.gz WURXCMOWFWLZOM-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCN2C)CC1 ZINC000929430939 651547662 /nfs/dbraw/zinc/54/76/62/651547662.db2.gz MNBSEJHMUGHMRP-OAHLLOKOSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930113071 651583994 /nfs/dbraw/zinc/58/39/94/651583994.db2.gz IKQQANWTZCKBTL-SJORKVTESA-N 1 3 329.485 -0.153 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930113071 651583997 /nfs/dbraw/zinc/58/39/97/651583997.db2.gz IKQQANWTZCKBTL-SJORKVTESA-N 1 3 329.485 -0.153 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CSCC(=O)N3)CC2)CC1 ZINC000931217492 651624872 /nfs/dbraw/zinc/62/48/72/651624872.db2.gz RWJZPVOCGXGLHH-AWEZNQCLSA-N 1 3 340.493 -0.107 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(C[C@@H]4CCOC4)C3)CC2)C1 ZINC000941666204 652868750 /nfs/dbraw/zinc/86/87/50/652868750.db2.gz QMKHMSYCAASCAC-HOTGVXAUSA-N 1 3 336.480 -0.197 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(C[C@@H]4CCOC4)C3)CC2)C1 ZINC000941666204 652868754 /nfs/dbraw/zinc/86/87/54/652868754.db2.gz QMKHMSYCAASCAC-HOTGVXAUSA-N 1 3 336.480 -0.197 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(C[C@H]4CCOC4)C3)CC2)C1 ZINC000941666205 652869070 /nfs/dbraw/zinc/86/90/70/652869070.db2.gz QMKHMSYCAASCAC-HZPDHXFCSA-N 1 3 336.480 -0.197 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(C[C@H]4CCOC4)C3)CC2)C1 ZINC000941666205 652869073 /nfs/dbraw/zinc/86/90/73/652869073.db2.gz QMKHMSYCAASCAC-HZPDHXFCSA-N 1 3 336.480 -0.197 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000946924898 653270388 /nfs/dbraw/zinc/27/03/88/653270388.db2.gz LEURXWMPGWOSSQ-QWHCGFSZSA-N 1 3 326.441 -0.842 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC000946924905 653270468 /nfs/dbraw/zinc/27/04/68/653270468.db2.gz LGTZWTJPXNDLMZ-KBPBESRZSA-N 1 3 338.452 -0.842 20 0 EBADHO CN(CC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC000946925039 653271112 /nfs/dbraw/zinc/27/11/12/653271112.db2.gz LQERLJULYSPWOH-AWEZNQCLSA-N 1 3 338.452 -0.698 20 0 EBADHO O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581928 722395040 /nfs/dbraw/zinc/39/50/40/722395040.db2.gz VPFMLRDBQCYCJB-HZPDHXFCSA-N 1 3 325.453 -0.490 20 0 EBADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000958850944 722618624 /nfs/dbraw/zinc/61/86/24/722618624.db2.gz WNEBYZZOYQLANY-KBXIAJHMSA-N 1 3 340.468 -0.692 20 0 EBADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000958850944 722618625 /nfs/dbraw/zinc/61/86/25/722618625.db2.gz WNEBYZZOYQLANY-KBXIAJHMSA-N 1 3 340.468 -0.692 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958978366 722680817 /nfs/dbraw/zinc/68/08/17/722680817.db2.gz CCJYDFXMTHBWSD-QEJZJMRPSA-N 1 3 349.435 -0.676 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958978366 722680818 /nfs/dbraw/zinc/68/08/18/722680818.db2.gz CCJYDFXMTHBWSD-QEJZJMRPSA-N 1 3 349.435 -0.676 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959919487 722775258 /nfs/dbraw/zinc/77/52/58/722775258.db2.gz IWBIKBFWDAZDRT-CAOSSQGBSA-N 1 3 347.463 -0.600 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001019342959 728863962 /nfs/dbraw/zinc/86/39/62/728863962.db2.gz QDTUXOPNORXQSZ-UONOGXRCSA-N 1 3 325.457 -0.212 20 0 EBADHO C[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968648629 725095936 /nfs/dbraw/zinc/09/59/36/725095936.db2.gz VVLBKJYVZYXWFC-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968648629 725095940 /nfs/dbraw/zinc/09/59/40/725095940.db2.gz VVLBKJYVZYXWFC-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO CC[C@@H](N[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000968719167 725109483 /nfs/dbraw/zinc/10/94/83/725109483.db2.gz KVENLBGEMHRRCP-CHWSQXEVSA-N 1 3 336.440 -0.487 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000968728725 725109858 /nfs/dbraw/zinc/10/98/58/725109858.db2.gz WCYKTCQTSWITEJ-RBSFLKMASA-N 1 3 338.452 -0.624 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000968728725 725109859 /nfs/dbraw/zinc/10/98/59/725109859.db2.gz WCYKTCQTSWITEJ-RBSFLKMASA-N 1 3 338.452 -0.624 20 0 EBADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001019576098 728926321 /nfs/dbraw/zinc/92/63/21/728926321.db2.gz CMRQHRDXMNMDRU-DZGCQCFKSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000969949614 725231271 /nfs/dbraw/zinc/23/12/71/725231271.db2.gz WHSXBGHEWYHBAB-UONOGXRCSA-N 1 3 336.436 -0.190 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000969956515 725231823 /nfs/dbraw/zinc/23/18/23/725231823.db2.gz XWCKUTGQFIEEBK-CHWSQXEVSA-N 1 3 337.424 -0.930 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC000970335492 725279106 /nfs/dbraw/zinc/27/91/06/725279106.db2.gz PGMGLAJLIDGWPE-OAHLLOKOSA-N 1 3 337.468 -0.066 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971681050 725430060 /nfs/dbraw/zinc/43/00/60/725430060.db2.gz BDXDIGVLVBODGK-CABCVRRESA-N 1 3 337.468 -0.116 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739500 725589060 /nfs/dbraw/zinc/58/90/60/725589060.db2.gz FUODCKIGBMRWQD-CQSZACIVSA-N 1 3 348.447 -0.236 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739499 725589260 /nfs/dbraw/zinc/58/92/60/725589260.db2.gz FUODCKIGBMRWQD-AWEZNQCLSA-N 1 3 348.447 -0.236 20 0 EBADHO O=C(N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697307 735332718 /nfs/dbraw/zinc/33/27/18/735332718.db2.gz BBKXXSQIPKGKOK-UONOGXRCSA-N 1 3 336.436 -0.680 20 0 EBADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000976541535 726340669 /nfs/dbraw/zinc/34/06/69/726340669.db2.gz RFFMAYJLWKGXFJ-KBXIAJHMSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000976541535 726340673 /nfs/dbraw/zinc/34/06/73/726340673.db2.gz RFFMAYJLWKGXFJ-KBXIAJHMSA-N 1 3 334.464 -0.005 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000976560498 726350621 /nfs/dbraw/zinc/35/06/21/726350621.db2.gz XYHCMABSCHFILF-LJIGWXMPSA-N 1 3 343.431 -0.133 20 0 EBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000996355494 726372441 /nfs/dbraw/zinc/37/24/41/726372441.db2.gz MMTXBRVNLBFIFR-LBPRGKRZSA-N 1 3 348.407 -0.669 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996470272 726401402 /nfs/dbraw/zinc/40/14/02/726401402.db2.gz GPZRLOVIEBVBPQ-ZDUSSCGKSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996473679 726402179 /nfs/dbraw/zinc/40/21/79/726402179.db2.gz VWEYRIBKDFXTKB-GXTWGEPZSA-N 1 3 340.468 -0.202 20 0 EBADHO CC(C)(C(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749647 735370304 /nfs/dbraw/zinc/37/03/04/735370304.db2.gz HVAPOSOENOAMEO-KGLIPLIRSA-N 1 3 338.452 -0.434 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000996690969 726422606 /nfs/dbraw/zinc/42/26/06/726422606.db2.gz GMYDTNJPOJAKSM-HIFRSBDPSA-N 1 3 338.452 -0.042 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)N(C)C ZINC000997011678 726434784 /nfs/dbraw/zinc/43/47/84/726434784.db2.gz CKIYVPXKXAWKKN-AWEZNQCLSA-N 1 3 325.457 -0.068 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000997306681 726445691 /nfs/dbraw/zinc/44/56/91/726445691.db2.gz HXRNXFPBLTZNBC-UHFFFAOYSA-N 1 3 338.452 -0.478 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346874 726515278 /nfs/dbraw/zinc/51/52/78/726515278.db2.gz GZVRSDHFVUNXNG-STQMWFEESA-N 1 3 336.436 -0.144 20 0 EBADHO C[C@@H](N[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001000435632 726566939 /nfs/dbraw/zinc/56/69/39/726566939.db2.gz ZRUIFFNQIDHZLM-OCCSQVGLSA-N 1 3 336.440 -0.487 20 0 EBADHO C[C@@H](N[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000572313 726571562 /nfs/dbraw/zinc/57/15/62/726571562.db2.gz NRFHUDCDIHTICI-OLZOCXBDSA-N 1 3 326.441 -0.448 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC001009084587 726855337 /nfs/dbraw/zinc/85/53/37/726855337.db2.gz PWPCZTZHEWDTKC-FPCVCCKLSA-N 1 3 334.464 -0.146 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC001009084587 726855340 /nfs/dbraw/zinc/85/53/40/726855340.db2.gz PWPCZTZHEWDTKC-FPCVCCKLSA-N 1 3 334.464 -0.146 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)n[nH]1 ZINC001051800908 735404350 /nfs/dbraw/zinc/40/43/50/735404350.db2.gz GNYSHBNLJFIWDM-AWEZNQCLSA-N 1 3 336.440 -0.228 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051943121 735477195 /nfs/dbraw/zinc/47/71/95/735477195.db2.gz ITOSEILKYRPQFA-CABCVRRESA-N 1 3 338.452 -0.432 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC001018861453 728696081 /nfs/dbraw/zinc/69/60/81/728696081.db2.gz UBRRFGTYJMJVCO-STQMWFEESA-N 1 3 334.424 -0.863 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178649 729091551 /nfs/dbraw/zinc/09/15/51/729091551.db2.gz ANKXNJKCSYTYBO-ABHRYQDASA-N 1 3 334.424 -0.585 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178649 729091554 /nfs/dbraw/zinc/09/15/54/729091554.db2.gz ANKXNJKCSYTYBO-ABHRYQDASA-N 1 3 334.424 -0.585 20 0 EBADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455628 729495674 /nfs/dbraw/zinc/49/56/74/729495674.db2.gz XJUSIPHQMPTLFO-HQMZDILOSA-N 1 3 336.436 -0.650 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022712629 729524252 /nfs/dbraw/zinc/52/42/52/729524252.db2.gz VVVBKWTZNINKHH-MELADBBJSA-N 1 3 336.436 -0.144 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC[N@@H+]1C ZINC001023980065 729823674 /nfs/dbraw/zinc/82/36/74/729823674.db2.gz DFHAZUDPOBIJCP-GBJTYRQASA-N 1 3 349.435 -0.630 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC[N@H+]1C ZINC001023980065 729823675 /nfs/dbraw/zinc/82/36/75/729823675.db2.gz DFHAZUDPOBIJCP-GBJTYRQASA-N 1 3 349.435 -0.630 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779060 730086779 /nfs/dbraw/zinc/08/67/79/730086779.db2.gz WPKRRJFHHJYSAS-OJKRMQCYSA-N 1 3 348.447 -0.289 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779060 730086781 /nfs/dbraw/zinc/08/67/81/730086781.db2.gz WPKRRJFHHJYSAS-OJKRMQCYSA-N 1 3 348.447 -0.289 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908440 730104751 /nfs/dbraw/zinc/10/47/51/730104751.db2.gz NHSPPDPQITXHFU-SNUGHFBMSA-N 1 3 347.459 -0.068 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908440 730104753 /nfs/dbraw/zinc/10/47/53/730104753.db2.gz NHSPPDPQITXHFU-SNUGHFBMSA-N 1 3 347.459 -0.068 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908438 730104937 /nfs/dbraw/zinc/10/49/37/730104937.db2.gz NHSPPDPQITXHFU-ADRZLJTRSA-N 1 3 347.459 -0.068 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908438 730104940 /nfs/dbraw/zinc/10/49/40/730104940.db2.gz NHSPPDPQITXHFU-ADRZLJTRSA-N 1 3 347.459 -0.068 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043239 730117633 /nfs/dbraw/zinc/11/76/33/730117633.db2.gz FPJQYTLBRXKMKI-JLOCXQCDSA-N 1 3 347.463 -0.368 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043239 730117634 /nfs/dbraw/zinc/11/76/34/730117634.db2.gz FPJQYTLBRXKMKI-JLOCXQCDSA-N 1 3 347.463 -0.368 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001027217889 730199814 /nfs/dbraw/zinc/19/98/14/730199814.db2.gz RHAGZQDNKIEDFM-CABCVRRESA-N 1 3 343.493 -0.045 20 0 EBADHO O=C(NC[C@H]1CCCN1C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001028267033 730278867 /nfs/dbraw/zinc/27/88/67/730278867.db2.gz DYTDADAMJVDQKL-HZPDHXFCSA-N 1 3 347.463 -0.080 20 0 EBADHO O=C(NCC1CN(C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001032131780 730816649 /nfs/dbraw/zinc/81/66/49/730816649.db2.gz UYXNWZPZBQHMLC-HNNXBMFYSA-N 1 3 333.436 -0.612 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001035063074 731181732 /nfs/dbraw/zinc/18/17/32/731181732.db2.gz OTLFQFIMTULNPI-GXTWGEPZSA-N 1 3 340.449 -0.033 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040100808 731598762 /nfs/dbraw/zinc/59/87/62/731598762.db2.gz RAXTWTQHLOGNSU-KRWDZBQOSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001040447089 731737117 /nfs/dbraw/zinc/73/71/17/731737117.db2.gz OBJYHJUXVYQWSE-WBVHZDCISA-N 1 3 342.484 -0.396 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040715784 731844482 /nfs/dbraw/zinc/84/44/82/731844482.db2.gz LAWGBRJZRNRGCY-QGZVFWFLSA-N 1 3 349.435 -0.626 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040797600 731879213 /nfs/dbraw/zinc/87/92/13/731879213.db2.gz JZUYZHLAWWMBBH-RHSMWYFYSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001040902023 731911351 /nfs/dbraw/zinc/91/13/51/731911351.db2.gz OPQOETOFYVGCOH-RHSMWYFYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001040902023 731911353 /nfs/dbraw/zinc/91/13/53/731911353.db2.gz OPQOETOFYVGCOH-RHSMWYFYSA-N 1 3 342.484 -0.252 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3CCN(CCO)[C@@H]3C2)n1 ZINC001042064509 732293781 /nfs/dbraw/zinc/29/37/81/732293781.db2.gz HEIWZLQXDBIFNV-GOEBONIOSA-N 1 3 335.452 -0.027 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043465588 732956899 /nfs/dbraw/zinc/95/68/99/732956899.db2.gz VRTKWFCNNSGFDM-OAHLLOKOSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001043677427 733054899 /nfs/dbraw/zinc/05/48/99/733054899.db2.gz JNVBYEOTCHBCNK-CYBMUJFWSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044011499 733245941 /nfs/dbraw/zinc/24/59/41/733245941.db2.gz PTXOQLGCYZFOQN-AWEZNQCLSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044011499 733245944 /nfs/dbraw/zinc/24/59/44/733245944.db2.gz PTXOQLGCYZFOQN-AWEZNQCLSA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044246423 733338380 /nfs/dbraw/zinc/33/83/80/733338380.db2.gz MGTYCVBQPKATNW-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001044287096 733356709 /nfs/dbraw/zinc/35/67/09/733356709.db2.gz DBDVTPMNQJCYLV-UONOGXRCSA-N 1 3 342.484 -0.398 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001044327378 733384879 /nfs/dbraw/zinc/38/48/79/733384879.db2.gz ZEBSJSUCPFJDRA-YPMHNXCESA-N 1 3 349.435 -0.852 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001044327378 733384883 /nfs/dbraw/zinc/38/48/83/733384883.db2.gz ZEBSJSUCPFJDRA-YPMHNXCESA-N 1 3 349.435 -0.852 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)C1 ZINC001046064650 733841286 /nfs/dbraw/zinc/84/12/86/733841286.db2.gz QOZCUIRJINDGQO-IRXDYDNUSA-N 1 3 338.496 -0.071 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)C1 ZINC001046064650 733841291 /nfs/dbraw/zinc/84/12/91/733841291.db2.gz QOZCUIRJINDGQO-IRXDYDNUSA-N 1 3 338.496 -0.071 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046684722 734003374 /nfs/dbraw/zinc/00/33/74/734003374.db2.gz LPBHKLCWRSMKKN-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046684722 734003376 /nfs/dbraw/zinc/00/33/76/734003376.db2.gz LPBHKLCWRSMKKN-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C(=O)[C@@H]1CCCCN1C)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047428452 734189900 /nfs/dbraw/zinc/18/99/00/734189900.db2.gz AQZQHBPOKWDGCI-ULQDDVLXSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@@H]1CCCCN1C)[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047428452 734189902 /nfs/dbraw/zinc/18/99/02/734189902.db2.gz AQZQHBPOKWDGCI-ULQDDVLXSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001047428452 734189904 /nfs/dbraw/zinc/18/99/04/734189904.db2.gz AQZQHBPOKWDGCI-ULQDDVLXSA-N 1 3 349.479 -0.050 20 0 EBADHO CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001047428452 734189905 /nfs/dbraw/zinc/18/99/05/734189905.db2.gz AQZQHBPOKWDGCI-ULQDDVLXSA-N 1 3 349.479 -0.050 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048723493 734484023 /nfs/dbraw/zinc/48/40/23/734484023.db2.gz GGOPIBBBUXOZFP-HZSPNIEDSA-N 1 3 349.435 -0.977 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048723493 734484025 /nfs/dbraw/zinc/48/40/25/734484025.db2.gz GGOPIBBBUXOZFP-HZSPNIEDSA-N 1 3 349.435 -0.977 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863823 734543914 /nfs/dbraw/zinc/54/39/14/734543914.db2.gz MEPHSPDGYTVNIB-XHSDSOJGSA-N 1 3 349.479 -0.258 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863823 734543919 /nfs/dbraw/zinc/54/39/19/734543919.db2.gz MEPHSPDGYTVNIB-XHSDSOJGSA-N 1 3 349.479 -0.258 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057027 734628980 /nfs/dbraw/zinc/62/89/80/734628980.db2.gz IWCNOKUDSKPAFB-BYNSBNAKSA-N 1 3 348.447 -0.334 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057027 734628981 /nfs/dbraw/zinc/62/89/81/734628981.db2.gz IWCNOKUDSKPAFB-BYNSBNAKSA-N 1 3 348.447 -0.334 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057029 734629313 /nfs/dbraw/zinc/62/93/13/734629313.db2.gz IWCNOKUDSKPAFB-XQLPTFJDSA-N 1 3 348.447 -0.334 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057029 734629316 /nfs/dbraw/zinc/62/93/16/734629316.db2.gz IWCNOKUDSKPAFB-XQLPTFJDSA-N 1 3 348.447 -0.334 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)N(C)C ZINC001049065760 734634394 /nfs/dbraw/zinc/63/43/94/734634394.db2.gz WVIOQEVQZWMKAB-RFQIPJPRSA-N 1 3 336.436 -0.478 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)N(C)C ZINC001049065760 734634396 /nfs/dbraw/zinc/63/43/96/734634396.db2.gz WVIOQEVQZWMKAB-RFQIPJPRSA-N 1 3 336.436 -0.478 20 0 EBADHO CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049082451 734640354 /nfs/dbraw/zinc/64/03/54/734640354.db2.gz HYYGDLUKBFEXAH-VNHYZAJKSA-N 1 3 331.420 -0.037 20 0 EBADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049082451 734640358 /nfs/dbraw/zinc/64/03/58/734640358.db2.gz HYYGDLUKBFEXAH-VNHYZAJKSA-N 1 3 331.420 -0.037 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049150326 734663832 /nfs/dbraw/zinc/66/38/32/734663832.db2.gz UPDRFFHBXCJCLC-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049150326 734663835 /nfs/dbraw/zinc/66/38/35/734663835.db2.gz UPDRFFHBXCJCLC-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049212754 734686823 /nfs/dbraw/zinc/68/68/23/734686823.db2.gz DYRGRHQIDLEZON-HRCADAONSA-N 1 3 334.464 -0.049 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)C1 ZINC001049212754 734686825 /nfs/dbraw/zinc/68/68/25/734686825.db2.gz DYRGRHQIDLEZON-HRCADAONSA-N 1 3 334.464 -0.049 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049543146 734750216 /nfs/dbraw/zinc/75/02/16/734750216.db2.gz UZQVWAHNEODFHH-GJZGRUSLSA-N 1 3 342.484 -0.300 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001049543146 734750217 /nfs/dbraw/zinc/75/02/17/734750217.db2.gz UZQVWAHNEODFHH-GJZGRUSLSA-N 1 3 342.484 -0.300 20 0 EBADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001049548442 734751904 /nfs/dbraw/zinc/75/19/04/734751904.db2.gz KSRHTNQMOCFBRT-KBPBESRZSA-N 1 3 337.424 -0.676 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001049548442 734751905 /nfs/dbraw/zinc/75/19/05/734751905.db2.gz KSRHTNQMOCFBRT-KBPBESRZSA-N 1 3 337.424 -0.676 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050099900 734841657 /nfs/dbraw/zinc/84/16/57/734841657.db2.gz NDGVXQRVAPDZKR-SYGRHNPNSA-N 1 3 335.448 -0.235 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050099900 734841661 /nfs/dbraw/zinc/84/16/61/734841661.db2.gz NDGVXQRVAPDZKR-SYGRHNPNSA-N 1 3 335.448 -0.235 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001050201673 734867721 /nfs/dbraw/zinc/86/77/21/734867721.db2.gz IXJXADKGVHYXDK-ARFHVFGLSA-N 1 3 349.479 -0.114 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001050201673 734867725 /nfs/dbraw/zinc/86/77/25/734867725.db2.gz IXJXADKGVHYXDK-ARFHVFGLSA-N 1 3 349.479 -0.114 20 0 EBADHO C[NH+](C)CCC(=O)NCCN1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001055633458 736417412 /nfs/dbraw/zinc/41/74/12/736417412.db2.gz ORWLHMPQCUDIFC-UHFFFAOYSA-N 1 3 337.428 -0.933 20 0 EBADHO CCCN(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056032929 736604931 /nfs/dbraw/zinc/60/49/31/736604931.db2.gz VMEQLLQLFXYWNW-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057635682 737375199 /nfs/dbraw/zinc/37/51/99/737375199.db2.gz GZVZMXBWVNMEFA-AWEZNQCLSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057635682 737375205 /nfs/dbraw/zinc/37/52/05/737375205.db2.gz GZVZMXBWVNMEFA-AWEZNQCLSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001057658935 737395675 /nfs/dbraw/zinc/39/56/75/737395675.db2.gz HQSUKJJXKKVKCM-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001057658935 737395678 /nfs/dbraw/zinc/39/56/78/737395678.db2.gz HQSUKJJXKKVKCM-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C ZINC001057659248 737396747 /nfs/dbraw/zinc/39/67/47/737396747.db2.gz NBQWAIRSLQCVDV-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057661576 737398496 /nfs/dbraw/zinc/39/84/96/737398496.db2.gz WYTMSQOMCXIKEK-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057661576 737398503 /nfs/dbraw/zinc/39/85/03/737398503.db2.gz WYTMSQOMCXIKEK-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001057864369 737485951 /nfs/dbraw/zinc/48/59/51/737485951.db2.gz OXPTVBDYAPPNCD-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001057864369 737485953 /nfs/dbraw/zinc/48/59/53/737485953.db2.gz OXPTVBDYAPPNCD-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001057882045 737501527 /nfs/dbraw/zinc/50/15/27/737501527.db2.gz AQPRYMIXPHJMIA-CABCVRRESA-N 1 3 344.500 -0.150 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001058157538 737679515 /nfs/dbraw/zinc/67/95/15/737679515.db2.gz APVWRXSSWXFZJN-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001058157538 737679516 /nfs/dbraw/zinc/67/95/16/737679516.db2.gz APVWRXSSWXFZJN-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)N(C)C ZINC001058168575 737690022 /nfs/dbraw/zinc/69/00/22/737690022.db2.gz LITQLWMPAYZOBM-HNNXBMFYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058253746 737736100 /nfs/dbraw/zinc/73/61/00/737736100.db2.gz GTLOZPLDFKUTSW-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058253746 737736103 /nfs/dbraw/zinc/73/61/03/737736103.db2.gz GTLOZPLDFKUTSW-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058255559 737738117 /nfs/dbraw/zinc/73/81/17/737738117.db2.gz UVYUXJYPCNTTJG-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001058255559 737738119 /nfs/dbraw/zinc/73/81/19/737738119.db2.gz UVYUXJYPCNTTJG-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607556 737919928 /nfs/dbraw/zinc/91/99/28/737919928.db2.gz FPZTYSWOKNCBPK-UHFFFAOYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058849457 738032447 /nfs/dbraw/zinc/03/24/47/738032447.db2.gz UUVSUTJAHBGVLJ-HUUCEWRRSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001058849457 738032450 /nfs/dbraw/zinc/03/24/50/738032450.db2.gz UUVSUTJAHBGVLJ-HUUCEWRRSA-N 1 3 342.484 -0.537 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065168736 739573247 /nfs/dbraw/zinc/57/32/47/739573247.db2.gz FCRIXEBVDORWDF-LSDHHAIUSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001065168736 739573250 /nfs/dbraw/zinc/57/32/50/739573250.db2.gz FCRIXEBVDORWDF-LSDHHAIUSA-N 1 3 340.468 -0.378 20 0 EBADHO CN(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CC1 ZINC001065576990 739773078 /nfs/dbraw/zinc/77/30/78/739773078.db2.gz ZEENJIUDFINSIE-ZBFHGGJFSA-N 1 3 340.468 -0.378 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)CC1 ZINC001065669982 739834456 /nfs/dbraw/zinc/83/44/56/739834456.db2.gz ANSIEIHBADRACQ-AWEZNQCLSA-N 1 3 349.435 -0.362 20 0 EBADHO CCCN(C)CC(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068420240 740320978 /nfs/dbraw/zinc/32/09/78/740320978.db2.gz JKZLIEUQELVQLG-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CC[C@H](C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2)N(C)C ZINC001068454492 740330983 /nfs/dbraw/zinc/33/09/83/740330983.db2.gz SMTCUGIBTBEUFE-CQSZACIVSA-N 1 3 340.468 -0.282 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068940750 740502558 /nfs/dbraw/zinc/50/25/58/740502558.db2.gz PYEDYAVIVDMNRT-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001068992919 740517157 /nfs/dbraw/zinc/51/71/57/740517157.db2.gz QZRFGYSOTWNVAV-CQSZACIVSA-N 1 3 349.435 -0.220 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433583 741399013 /nfs/dbraw/zinc/39/90/13/741399013.db2.gz YGSJISOJTDRRAY-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CCC2=O)C3)C1 ZINC001073425960 741611841 /nfs/dbraw/zinc/61/18/41/741611841.db2.gz MROUTVXLCWIFFY-AWEZNQCLSA-N 1 3 348.447 -0.379 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CCC2=O)C3)C1 ZINC001073425960 741611844 /nfs/dbraw/zinc/61/18/44/741611844.db2.gz MROUTVXLCWIFFY-AWEZNQCLSA-N 1 3 348.447 -0.379 20 0 EBADHO O=C(NC[C@H]1CN(CCCO)CCCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001073605666 741682853 /nfs/dbraw/zinc/68/28/53/741682853.db2.gz QIQVNGUOURQKQA-HOTGVXAUSA-N 1 3 325.453 -0.082 20 0 EBADHO O=C(NC[C@@H]1CN(CCCO)CCCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001073605665 741682881 /nfs/dbraw/zinc/68/28/81/741682881.db2.gz QIQVNGUOURQKQA-CVEARBPZSA-N 1 3 325.453 -0.082 20 0 EBADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001074656122 742048975 /nfs/dbraw/zinc/04/89/75/742048975.db2.gz WNKADNJSVPOPHT-MELADBBJSA-N 1 3 348.451 -0.474 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C)N(C)C ZINC001074711261 742082555 /nfs/dbraw/zinc/08/25/55/742082555.db2.gz WAAZFPRRAUBRQT-MELADBBJSA-N 1 3 325.457 -0.069 20 0 EBADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)NC(=O)COCC[NH+](C)C ZINC001075941349 742335627 /nfs/dbraw/zinc/33/56/27/742335627.db2.gz RTUITWFNSFHAMV-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000977206061 804220223 /nfs/dbraw/zinc/22/02/23/804220223.db2.gz ZXONWXKEJYJZNO-AIANPOQGSA-N 1 3 346.475 -0.003 20 0 EBADHO O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC000984357934 807266304 /nfs/dbraw/zinc/26/63/04/807266304.db2.gz OHRGXDNCJKSFJA-MRQDFBQNSA-N 1 3 348.447 -0.778 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534141 807953850 /nfs/dbraw/zinc/95/38/50/807953850.db2.gz UIVNXCUYWRENMH-OLZOCXBDSA-N 1 3 337.424 -0.787 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215423702 810327424 /nfs/dbraw/zinc/32/74/24/810327424.db2.gz RRZYUCLUBCHKNF-IJLUTSLNSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCCS(C)(=O)=O ZINC001215453497 810329296 /nfs/dbraw/zinc/32/92/96/810329296.db2.gz FEPRQYVKFCNOPB-TZMCWYRMSA-N 1 3 331.482 -0.191 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215456155 810329666 /nfs/dbraw/zinc/32/96/66/810329666.db2.gz PTTBOXNMBSFCQX-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215862006 810348236 /nfs/dbraw/zinc/34/82/36/810348236.db2.gz UDKPWBVMXVUNQK-TZMCWYRMSA-N 1 3 336.440 -0.759 20 0 EBADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216098953 810358398 /nfs/dbraw/zinc/35/83/98/810358398.db2.gz BYWOMIHICLVHCY-UMVBOHGHSA-N 1 3 340.468 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001216854416 810396328 /nfs/dbraw/zinc/39/63/28/810396328.db2.gz YKYFWZBGZPKAGU-GRYCIOLGSA-N 1 3 327.429 -0.654 20 0 EBADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218555144 810502187 /nfs/dbraw/zinc/50/21/87/810502187.db2.gz OWNLMJFBPXCYCF-LURJTMIESA-N 1 3 329.382 -0.577 20 0 EBADHO CN1CCN(c2cc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)ncn2)CC1 ZINC001218572276 810506180 /nfs/dbraw/zinc/50/61/80/810506180.db2.gz HQQLVAFMLJDFKX-HNNXBMFYSA-N 1 3 333.440 -0.506 20 0 EBADHO O=C(Nc1ccc2c(c1)C(=O)NCCO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218816578 810534513 /nfs/dbraw/zinc/53/45/13/810534513.db2.gz JGXMOPPNRPBINN-PIGZYNQJSA-N 1 3 330.388 -0.054 20 0 EBADHO COCCCCN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965769 810549299 /nfs/dbraw/zinc/54/92/99/810549299.db2.gz SPAIPEXVZSBLHA-JKSUJKDBSA-N 1 3 343.468 -0.097 20 0 EBADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@H]3COC4(CNC4)CN3)cc2)C1 ZINC001219233412 810625563 /nfs/dbraw/zinc/62/55/63/810625563.db2.gz NXJCDTWMLGPXJN-XJKSGUPXSA-N 1 3 345.447 -0.117 20 0 EBADHO COCCCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643306 810784592 /nfs/dbraw/zinc/78/45/92/810784592.db2.gz OCNSFMKJJFYCHY-XHSDSOJGSA-N 1 3 325.453 -0.084 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)COC1(C)C ZINC001219650693 810785592 /nfs/dbraw/zinc/78/55/92/810785592.db2.gz PSCNVTFXVPPOMI-CYDGBPFRSA-N 1 3 326.441 -0.341 20 0 EBADHO N[C@@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC2(CC1)OCCO2 ZINC001219736494 810817140 /nfs/dbraw/zinc/81/71/40/810817140.db2.gz CRCNHJTWRPCFSK-UONOGXRCSA-N 1 3 339.436 -0.258 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741882 810819264 /nfs/dbraw/zinc/81/92/64/810819264.db2.gz WXSFBKXYOJYOCQ-VXGBXAGGSA-N 1 3 327.429 -0.820 20 0 EBADHO N[C@@H](C[NH3+])c1ccc(C(=O)NCc2nnc3n2CCCNC3)cc1 ZINC001219751825 810825755 /nfs/dbraw/zinc/82/57/55/810825755.db2.gz XLVNXVHFXZGCOX-ZDUSSCGKSA-N 1 3 329.408 -0.340 20 0 EBADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219774955 810836373 /nfs/dbraw/zinc/83/63/73/810836373.db2.gz GCVLALJUDRUDIX-LBPRGKRZSA-N 1 3 327.450 -0.589 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831325 810866521 /nfs/dbraw/zinc/86/65/21/810866521.db2.gz GRQHNYXOSQFROT-ZSLBOAEBSA-N 1 3 326.441 -0.642 20 0 EBADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CNCc2ccnn2C1 ZINC001219833856 810868325 /nfs/dbraw/zinc/86/83/25/810868325.db2.gz LABGZAVGAOBQSP-JKIFEVAISA-N 1 3 349.435 -0.886 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001219943437 810918271 /nfs/dbraw/zinc/91/82/71/810918271.db2.gz IXGFUAACCRXGAW-FZMZJTMJSA-N 1 3 349.435 -0.928 20 0 EBADHO [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2COC3(CNC3)CN2)COC1 ZINC001220020488 810950375 /nfs/dbraw/zinc/95/03/75/810950375.db2.gz KUFCFRDCAPOWEF-OAHLLOKOSA-N 1 3 346.431 -0.927 20 0 EBADHO O=C(NCc1cc(OC2COC2)ccn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220183268 811009149 /nfs/dbraw/zinc/00/91/49/811009149.db2.gz KCEJRYKUSHFYKL-SJKOYZFVSA-N 1 3 332.404 -0.326 20 0 EBADHO CCOC(=O)CC[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)OCC ZINC001220230623 811027485 /nfs/dbraw/zinc/02/74/85/811027485.db2.gz NFHUCZJNXPSMMH-JSGCOSHPSA-N 1 3 343.424 -0.296 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220341321 811062909 /nfs/dbraw/zinc/06/29/09/811062909.db2.gz XBWQUQPZGJQTKZ-LBPRGKRZSA-N 1 3 325.438 -0.057 20 0 EBADHO [NH3+]C[C@H](O)C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353346 811066905 /nfs/dbraw/zinc/06/69/05/811066905.db2.gz IKMALPYIZRUZBL-SOUVJXGZSA-N 1 3 335.404 -0.119 20 0 EBADHO [NH3+]C[C@H](O)C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353344 811067708 /nfs/dbraw/zinc/06/77/08/811067708.db2.gz IKMALPYIZRUZBL-KKUMJFAQSA-N 1 3 335.404 -0.119 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)OC(C)(C)C ZINC001220379103 811082342 /nfs/dbraw/zinc/08/23/42/811082342.db2.gz LVPJWKMDMGSLIO-WCQYABFASA-N 1 3 343.424 -0.297 20 0 EBADHO O=C(NCc1ccc(N2CCOCC2)nn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220390287 811088540 /nfs/dbraw/zinc/08/85/40/811088540.db2.gz WULPRJQIBZUJMD-CXAGYDPISA-N 1 3 346.435 -0.872 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001036192640 811117378 /nfs/dbraw/zinc/11/73/78/811117378.db2.gz IMGGYQJOEITLPX-GXTWGEPZSA-N 1 3 347.419 -0.072 20 0 EBADHO CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H](N)CC(C)C)CC[NH2+]C1 ZINC001220521878 811137294 /nfs/dbraw/zinc/13/72/94/811137294.db2.gz RMHBTFSKIUPQDQ-LBPRGKRZSA-N 1 3 340.424 -0.597 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23CCOCC3)CCNC1 ZINC001220521565 811137500 /nfs/dbraw/zinc/13/75/00/811137500.db2.gz IRQLSCVHYRORMV-ZDUSSCGKSA-N 1 3 337.420 -0.071 20 0 EBADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cccnc1 ZINC001220529626 811141717 /nfs/dbraw/zinc/14/17/17/811141717.db2.gz GXUFDTPVQCRKBJ-NWDGAFQWSA-N 1 3 326.422 -0.179 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801506 811247003 /nfs/dbraw/zinc/24/70/03/811247003.db2.gz ZYEYUFMLEBWOKD-HRDYMLBCSA-N 1 3 325.335 -0.581 20 0 EBADHO CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)C[NH2+]C1 ZINC001220829976 811258459 /nfs/dbraw/zinc/25/84/59/811258459.db2.gz IDMXCPLFWLITQH-ZANVPECISA-N 1 3 326.397 -0.987 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001036829523 811277637 /nfs/dbraw/zinc/27/76/37/811277637.db2.gz GSFRNKKFJFZSHC-DZGCQCFKSA-N 1 3 346.435 -0.100 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036829523 811277642 /nfs/dbraw/zinc/27/76/42/811277642.db2.gz GSFRNKKFJFZSHC-DZGCQCFKSA-N 1 3 346.435 -0.100 20 0 EBADHO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220920788 811295213 /nfs/dbraw/zinc/29/52/13/811295213.db2.gz NMMSXCCNFBKRQW-ZIAGYGMSSA-N 1 3 329.404 -0.779 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930630 811297720 /nfs/dbraw/zinc/29/77/20/811297720.db2.gz SJNTVDJDMUWLTG-NQBHXWOUSA-N 1 3 327.429 -0.741 20 0 EBADHO N[C@@H](CC[NH3+])C(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001220971061 811316937 /nfs/dbraw/zinc/31/69/37/811316937.db2.gz RUEYAJPJZHFQCP-AWEZNQCLSA-N 1 3 333.436 -0.701 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001220971217 811317213 /nfs/dbraw/zinc/31/72/13/811317213.db2.gz XVPCSJKVAGRFLD-GJZGRUSLSA-N 1 3 346.431 -0.655 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220988797 811329970 /nfs/dbraw/zinc/32/99/70/811329970.db2.gz WWGLCZNSPGAIIZ-ZDUSSCGKSA-N 1 3 346.460 -0.046 20 0 EBADHO COc1cccc(CNC(=O)CNC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001221060848 811358510 /nfs/dbraw/zinc/35/85/10/811358510.db2.gz QTWLIHIXCGLBGC-MRXNPFEDSA-N 1 3 334.420 -0.246 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221115961 811384014 /nfs/dbraw/zinc/38/40/14/811384014.db2.gz FONVOMRSKLBXBQ-STQMWFEESA-N 1 3 333.436 -0.329 20 0 EBADHO O=C(NCCN1CCCS1(=O)=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221335519 811443414 /nfs/dbraw/zinc/44/34/14/811443414.db2.gz HNYJDMMYMDNABG-LBPRGKRZSA-N 1 3 330.454 -0.988 20 0 EBADHO O=C(NCCN1CCCS1(=O)=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221335519 811443420 /nfs/dbraw/zinc/44/34/20/811443420.db2.gz HNYJDMMYMDNABG-LBPRGKRZSA-N 1 3 330.454 -0.988 20 0 EBADHO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391188 811448815 /nfs/dbraw/zinc/44/88/15/811448815.db2.gz CNQVCGHNOWQORV-ZBFHGGJFSA-N 1 3 334.420 -0.294 20 0 EBADHO CN1CC[C@@H](N2CCC(CNC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001225167912 811796945 /nfs/dbraw/zinc/79/69/45/811796945.db2.gz FPXYKCVPWWVKEG-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NC1CCN(CCN2CCNC2=O)CC1)C1CC1 ZINC001227816655 811943277 /nfs/dbraw/zinc/94/32/77/811943277.db2.gz GUAGCWUPKJHNMM-OAHLLOKOSA-N 1 3 337.468 -0.068 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)CN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999750 812008886 /nfs/dbraw/zinc/00/88/86/812008886.db2.gz VGRKJBAXBCRCST-ZBFHGGJFSA-N 1 3 345.484 -0.069 20 0 EBADHO CNC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1 ZINC001238878469 812534990 /nfs/dbraw/zinc/53/49/90/812534990.db2.gz GNMWHPPNSROZFM-UHFFFAOYSA-N 1 3 328.438 -0.347 20 0 EBADHO OCCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001245973295 812557368 /nfs/dbraw/zinc/55/73/68/812557368.db2.gz JVPBFPPOJJVAAQ-HYVNUMGLSA-N 1 3 342.411 -0.387 20 0 EBADHO CCOC(=O)CC1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CNC1 ZINC001246247388 812569344 /nfs/dbraw/zinc/56/93/44/812569344.db2.gz GJXDLWAWDOXNMN-RYUDHWBXSA-N 1 3 342.465 -0.865 20 0 EBADHO COC(=O)C1C[C@@H]2CC(N3CCNC[C@H]3C(=O)OC)C[C@H](C1)[NH2+]2 ZINC001246621448 812576466 /nfs/dbraw/zinc/57/64/66/812576466.db2.gz LQIHPDHTUDKBAW-XGVQBZMBSA-N 1 3 325.409 -0.495 20 0 EBADHO CC(=O)N1CCOC[C@]2(CN([C@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723491 812583732 /nfs/dbraw/zinc/58/37/32/812583732.db2.gz JKBMXOHPJBCQKL-DOTOQJQBSA-N 1 3 338.452 -0.970 20 0 EBADHO CC(=O)NCc1ncn2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246766652 812586171 /nfs/dbraw/zinc/58/61/71/812586171.db2.gz OGTRQCQDNHTKPP-AWEZNQCLSA-N 1 3 332.452 -0.181 20 0 EBADHO C[NH+]1CCC(CN2CCN(C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC001251022068 812617745 /nfs/dbraw/zinc/61/77/45/812617745.db2.gz AXUJGVMTJGSTMT-SFHVURJKSA-N 1 3 340.512 -0.361 20 0 EBADHO CCOC(=O)CNC(=O)C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252944086 812670310 /nfs/dbraw/zinc/67/03/10/812670310.db2.gz OFPKJSDIVUUORZ-GOSISDBHSA-N 1 3 349.431 -0.108 20 0 EBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)CN)CCN1C(=O)OC(C)(C)C ZINC001256490998 812733937 /nfs/dbraw/zinc/73/39/37/812733937.db2.gz ZVNABMJIFTUBPI-UTUOFQBUSA-N 1 3 331.413 -0.163 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c(C[NH3+])cnn1C ZINC001262007681 813028611 /nfs/dbraw/zinc/02/86/11/813028611.db2.gz NKURSMNNRNWGPK-ZDUSSCGKSA-N 1 3 336.440 -0.449 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265494857 813332016 /nfs/dbraw/zinc/33/20/16/813332016.db2.gz VNJZUKAFNQCDDU-MGPQQGTHSA-N 1 3 331.482 0.000 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001265945886 813423629 /nfs/dbraw/zinc/42/36/29/813423629.db2.gz ZRGFUAULNNLQRE-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO CC[C@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCC(=O)NC1=O)N(C)C ZINC001266054029 813447059 /nfs/dbraw/zinc/44/70/59/813447059.db2.gz GCYKZRXFJIJSOS-CHWSQXEVSA-N 1 3 326.441 -0.040 20 0 EBADHO CC[C@H](C(=O)NCCC[N@@H+](CC)[C@@H]1CCC(=O)NC1=O)N(C)C ZINC001266054029 813447063 /nfs/dbraw/zinc/44/70/63/813447063.db2.gz GCYKZRXFJIJSOS-CHWSQXEVSA-N 1 3 326.441 -0.040 20 0 EBADHO CN(C)C1(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001081732645 813487869 /nfs/dbraw/zinc/48/78/69/813487869.db2.gz JLXUOIWQUZTVAP-KGLIPLIRSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733122 813489066 /nfs/dbraw/zinc/48/90/66/813489066.db2.gz PICBLOUVCJFBMI-UONOGXRCSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001266989094 813722303 /nfs/dbraw/zinc/72/23/03/813722303.db2.gz SDNITEHJPUSIOD-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001267091178 813756261 /nfs/dbraw/zinc/75/62/61/813756261.db2.gz YTHSNUGSLPXUBO-UHFFFAOYSA-N 1 3 341.456 -0.244 20 0 EBADHO CC(C)[C@H](C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474299 813910930 /nfs/dbraw/zinc/91/09/30/813910930.db2.gz PEUZYBNORPGERZ-DZGCQCFKSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001268087061 814121785 /nfs/dbraw/zinc/12/17/85/814121785.db2.gz PEOOQPPEGNVRGU-QWHCGFSZSA-N 1 3 334.486 -0.686 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152346 814135213 /nfs/dbraw/zinc/13/52/13/814135213.db2.gz XHKBYSVFBXSJPZ-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1)N1CCCCCC1 ZINC001268323829 814201939 /nfs/dbraw/zinc/20/19/39/814201939.db2.gz KOOPTEUTZFBYLP-CABCVRRESA-N 1 3 338.456 -0.391 20 0 EBADHO CCCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268674274 814348007 /nfs/dbraw/zinc/34/80/07/814348007.db2.gz OCXXWQATRXUOTQ-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CCCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268674274 814348015 /nfs/dbraw/zinc/34/80/15/814348015.db2.gz OCXXWQATRXUOTQ-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001268803067 814391767 /nfs/dbraw/zinc/39/17/67/814391767.db2.gz WCVMGLNLYDRLIG-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CN(CC(=O)N1CCC2(CN(CCn3ccnc3)C2)CC1)C(N)=[NH2+] ZINC001268996201 814467612 /nfs/dbraw/zinc/46/76/12/814467612.db2.gz JNQXUUGGOOKVSK-UHFFFAOYSA-N 1 3 333.440 -0.367 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001269173005 814564487 /nfs/dbraw/zinc/56/44/87/814564487.db2.gz NLSUNIPUULVKCU-AWEZNQCLSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001269173005 814564492 /nfs/dbraw/zinc/56/44/92/814564492.db2.gz NLSUNIPUULVKCU-AWEZNQCLSA-N 1 3 338.452 -0.670 20 0 EBADHO CCN(CC)CC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269186276 814572687 /nfs/dbraw/zinc/57/26/87/814572687.db2.gz CJDLDBRQVGYFPZ-UHFFFAOYSA-N 1 3 326.441 -0.670 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001269422662 814685631 /nfs/dbraw/zinc/68/56/31/814685631.db2.gz JUJKZIMRKKILMM-CHWSQXEVSA-N 1 3 336.436 -0.096 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001269422662 814685638 /nfs/dbraw/zinc/68/56/38/814685638.db2.gz JUJKZIMRKKILMM-CHWSQXEVSA-N 1 3 336.436 -0.096 20 0 EBADHO CS(=O)(=O)CCNC[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270050817 815674131 /nfs/dbraw/zinc/67/41/31/815674131.db2.gz PKSNSWVLGVJZJL-GJZGRUSLSA-N 1 3 343.493 -0.047 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001270309007 815748479 /nfs/dbraw/zinc/74/84/79/815748479.db2.gz RMIBVHPHGHWUAJ-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414700 816426332 /nfs/dbraw/zinc/42/63/32/816426332.db2.gz ROTBMLOWDGFUBI-JKSUJKDBSA-N 1 3 337.468 -0.098 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086996969 816440220 /nfs/dbraw/zinc/44/02/20/816440220.db2.gz DGCQPFMDNULRNY-VNQPRFMTSA-N 1 3 335.452 -0.219 20 0 EBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273716224 816740753 /nfs/dbraw/zinc/74/07/53/816740753.db2.gz GNXXPHRTIOEZEE-TZMCWYRMSA-N 1 3 326.441 -0.184 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034453 816844813 /nfs/dbraw/zinc/84/48/13/816844813.db2.gz FJJYUYDAWVXQSL-MKVKLZLISA-N 1 3 339.440 -0.567 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274034453 816844822 /nfs/dbraw/zinc/84/48/22/816844822.db2.gz FJJYUYDAWVXQSL-MKVKLZLISA-N 1 3 339.440 -0.567 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518960 816989333 /nfs/dbraw/zinc/98/93/33/816989333.db2.gz MEISWDGGPWQBTN-FMFIFOJESA-N 1 3 327.429 -0.710 20 0 EBADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001274566103 817011572 /nfs/dbraw/zinc/01/15/72/817011572.db2.gz VLOOWTYEGAFVRQ-KBXCAEBGSA-N 1 3 333.432 -0.109 20 0 EBADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274566103 817011575 /nfs/dbraw/zinc/01/15/75/817011575.db2.gz VLOOWTYEGAFVRQ-KBXCAEBGSA-N 1 3 333.432 -0.109 20 0 EBADHO CN(C)C1(C(=O)N2CCC(OCCC[NH2+]CC(N)=O)CC2)CCC1 ZINC001276164576 817367165 /nfs/dbraw/zinc/36/71/65/817367165.db2.gz NRCAWMDIJODQAK-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940284 817660282 /nfs/dbraw/zinc/66/02/82/817660282.db2.gz GYXMYGHCKJZBGB-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO C[C@@H](NCCOCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001279450458 817934330 /nfs/dbraw/zinc/93/43/30/817934330.db2.gz PIZTWUVIJABDGT-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001283692569 818907556 /nfs/dbraw/zinc/90/75/56/818907556.db2.gz RQKJANAWXOYXSL-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001283938793 819036239 /nfs/dbraw/zinc/03/62/39/819036239.db2.gz JZJPCRVSOWDUSN-GDBMZVCRSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([N@H+](CCO)CCCO)CC1)C1CC1 ZINC001098392444 819167388 /nfs/dbraw/zinc/16/73/88/819167388.db2.gz RIVSENDFXBYUCU-INIZCTEOSA-N 1 3 327.469 -0.006 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](CCO)CCCO)CC1)C1CC1 ZINC001098392444 819167393 /nfs/dbraw/zinc/16/73/93/819167393.db2.gz RIVSENDFXBYUCU-INIZCTEOSA-N 1 3 327.469 -0.006 20 0 EBADHO C[C@H](NCCOCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001284875928 819385545 /nfs/dbraw/zinc/38/55/45/819385545.db2.gz GZUDAJCTKVLXNB-AWEZNQCLSA-N 1 3 342.484 -0.131 20 0 EBADHO Cn1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cc1=O ZINC001099987027 819994377 /nfs/dbraw/zinc/99/43/77/819994377.db2.gz SOSOJOMLEJQKJX-LSDHHAIUSA-N 1 3 336.436 -0.612 20 0 EBADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(CCOCC(F)F)C[C@H]1O ZINC001100109178 820224970 /nfs/dbraw/zinc/22/49/70/820224970.db2.gz AKPMROXRNCCPLW-QWHCGFSZSA-N 1 3 335.395 -0.085 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001100443455 820423692 /nfs/dbraw/zinc/42/36/92/820423692.db2.gz HVWFFSVTLAIGLN-JXQTWKCFSA-N 1 3 338.452 -0.040 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101038051 820661264 /nfs/dbraw/zinc/66/12/64/820661264.db2.gz ZTYGYLKIUKNDHS-PNESKVBLSA-N 1 3 341.456 -0.345 20 0 EBADHO CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105660442 821789291 /nfs/dbraw/zinc/78/92/91/821789291.db2.gz VDYIGBLXFIJQIO-BQGCOEIASA-N 1 3 340.468 -0.611 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001317124561 822010625 /nfs/dbraw/zinc/01/06/25/822010625.db2.gz PXNVEJQKGKBEKI-XQQFMLRXSA-N 1 3 339.440 -0.495 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317344441 822089414 /nfs/dbraw/zinc/08/94/14/822089414.db2.gz SCUYRKFHIVPBCF-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001317396898 822099811 /nfs/dbraw/zinc/09/98/11/822099811.db2.gz RVQMDGWGZOVLPK-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001317627775 822183820 /nfs/dbraw/zinc/18/38/20/822183820.db2.gz XGCOPSDPFZPQKW-CYBMUJFWSA-N 1 3 339.440 -0.682 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001317861314 822227462 /nfs/dbraw/zinc/22/74/62/822227462.db2.gz OFEHXZAZELGNAX-KBPBESRZSA-N 1 3 338.452 -0.086 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001317861314 822227468 /nfs/dbraw/zinc/22/74/68/822227468.db2.gz OFEHXZAZELGNAX-KBPBESRZSA-N 1 3 338.452 -0.086 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106784592 822330458 /nfs/dbraw/zinc/33/04/58/822330458.db2.gz JTZPXPXFNBWOCY-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCCOCC ZINC001128774679 828524658 /nfs/dbraw/zinc/52/46/58/828524658.db2.gz WNKLIKNUKGJXHG-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCCOCC ZINC001128774679 828524662 /nfs/dbraw/zinc/52/46/62/828524662.db2.gz WNKLIKNUKGJXHG-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NCC ZINC001128773756 828524927 /nfs/dbraw/zinc/52/49/27/828524927.db2.gz CYCFNSNWGGQDCN-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NCC ZINC001128773756 828524931 /nfs/dbraw/zinc/52/49/31/828524931.db2.gz CYCFNSNWGGQDCN-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129421688 828615544 /nfs/dbraw/zinc/61/55/44/828615544.db2.gz BQSBYVAILMJSPN-OLZOCXBDSA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421688 828615547 /nfs/dbraw/zinc/61/55/47/828615547.db2.gz BQSBYVAILMJSPN-OLZOCXBDSA-N 1 3 341.456 -0.201 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129422138 828615608 /nfs/dbraw/zinc/61/56/08/828615608.db2.gz GGENAQNNZNRWTC-AWEZNQCLSA-N 1 3 348.513 -0.106 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422138 828615610 /nfs/dbraw/zinc/61/56/10/828615610.db2.gz GGENAQNNZNRWTC-AWEZNQCLSA-N 1 3 348.513 -0.106 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129416149 828616095 /nfs/dbraw/zinc/61/60/95/828616095.db2.gz DYYNUFIESKAIQA-CYBMUJFWSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129416149 828616098 /nfs/dbraw/zinc/61/60/98/828616098.db2.gz DYYNUFIESKAIQA-CYBMUJFWSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129416150 828616276 /nfs/dbraw/zinc/61/62/76/828616276.db2.gz DYYNUFIESKAIQA-ZDUSSCGKSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129416150 828616280 /nfs/dbraw/zinc/61/62/80/828616280.db2.gz DYYNUFIESKAIQA-ZDUSSCGKSA-N 1 3 341.456 -0.199 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC001129456005 828622862 /nfs/dbraw/zinc/62/28/62/828622862.db2.gz ZRLYHLNGFCPNGF-LBPRGKRZSA-N 1 3 339.440 -0.637 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1CC1 ZINC001129444569 828620018 /nfs/dbraw/zinc/62/00/18/828620018.db2.gz VGSFNJQLRUJEQQ-ZDUSSCGKSA-N 1 3 341.456 -0.343 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1CC1 ZINC001129443122 828620128 /nfs/dbraw/zinc/62/01/28/828620128.db2.gz IHUWHPGADYGTJH-NWDGAFQWSA-N 1 3 341.374 -0.028 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)C1CC1 ZINC001129449624 828621317 /nfs/dbraw/zinc/62/13/17/828621317.db2.gz QQRODBUOBGVCFG-GDBMZVCRSA-N 1 3 343.468 -0.411 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129448600 828621739 /nfs/dbraw/zinc/62/17/39/828621739.db2.gz CHRYCBMSBFOQFD-WCQYABFASA-N 1 3 341.456 -0.345 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910219 828692287 /nfs/dbraw/zinc/69/22/87/828692287.db2.gz IXVGCFQKSIWBRV-KFWWJZLASA-N 1 3 338.456 -0.004 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)N(C)C ZINC001129950212 828699528 /nfs/dbraw/zinc/69/95/28/828699528.db2.gz OLELIMMJCLITGR-ZBFHGGJFSA-N 1 3 345.484 -0.165 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001129949947 828699681 /nfs/dbraw/zinc/69/96/81/828699681.db2.gz KWUINHISXIFXOL-KBPBESRZSA-N 1 3 348.513 -0.440 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129992178 828709059 /nfs/dbraw/zinc/70/90/59/828709059.db2.gz PFWYPAFQKMNGPS-CABCVRRESA-N 1 3 346.439 -0.532 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130107217 828733166 /nfs/dbraw/zinc/73/31/66/828733166.db2.gz JQOLPWMAZBEVLG-ZNMIVQPWSA-N 1 3 338.456 -0.004 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419117 828826871 /nfs/dbraw/zinc/82/68/71/828826871.db2.gz LVIZAMJSTSXNAG-NSHDSACASA-N 1 3 329.445 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419117 828826881 /nfs/dbraw/zinc/82/68/81/828826881.db2.gz LVIZAMJSTSXNAG-NSHDSACASA-N 1 3 329.445 -0.343 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419042 828828511 /nfs/dbraw/zinc/82/85/11/828828511.db2.gz JFLLMXDOJITEDE-UHFFFAOYSA-N 1 3 329.445 -0.342 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419042 828828518 /nfs/dbraw/zinc/82/85/18/828828518.db2.gz JFLLMXDOJITEDE-UHFFFAOYSA-N 1 3 329.445 -0.342 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001130425008 828830296 /nfs/dbraw/zinc/83/02/96/828830296.db2.gz KAZGKVRBSFATEL-KGLIPLIRSA-N 1 3 333.473 -0.165 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001130427347 828831384 /nfs/dbraw/zinc/83/13/84/828831384.db2.gz MITQZVMAUFQSBW-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001130427347 828831394 /nfs/dbraw/zinc/83/13/94/828831394.db2.gz MITQZVMAUFQSBW-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179763947 833009184 /nfs/dbraw/zinc/00/91/84/833009184.db2.gz QPYMNFXQACDFSV-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179850854 833017722 /nfs/dbraw/zinc/01/77/22/833017722.db2.gz OJHBKZHHLRKFCT-UHFFFAOYSA-N 1 3 329.445 -0.211 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001114303619 826198010 /nfs/dbraw/zinc/19/80/10/826198010.db2.gz ARPJCOMJKUJLHN-AALSBFMBSA-N 1 3 325.453 -0.228 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC[N@H+]1C ZINC001114303619 826198011 /nfs/dbraw/zinc/19/80/11/826198011.db2.gz ARPJCOMJKUJLHN-AALSBFMBSA-N 1 3 325.453 -0.228 20 0 EBADHO CN(CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001114496863 826266381 /nfs/dbraw/zinc/26/63/81/826266381.db2.gz UNVMUBDKJILHCV-DLTWYDFYSA-N 1 3 343.431 -0.157 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179987130 833031847 /nfs/dbraw/zinc/03/18/47/833031847.db2.gz LJOLZWXQZNNJOE-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC1 ZINC001114741626 826330703 /nfs/dbraw/zinc/33/07/03/826330703.db2.gz SQOLTUKYSSEENW-FOLVSLTJSA-N 1 3 334.464 -0.003 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118488059 826940223 /nfs/dbraw/zinc/94/02/23/826940223.db2.gz YXOWMAOCZRIVDK-JSGCOSHPSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118739069 826994176 /nfs/dbraw/zinc/99/41/76/826994176.db2.gz HWPSMLXJHWOCOY-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119037226 827052423 /nfs/dbraw/zinc/05/24/23/827052423.db2.gz QMEMLZVJMGGFOQ-CYBMUJFWSA-N 1 3 325.457 -0.970 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181653007 833170815 /nfs/dbraw/zinc/17/08/15/833170815.db2.gz TWHMLTLWZOJIKE-OLZOCXBDSA-N 1 3 337.424 -0.787 20 0 EBADHO CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)S(C)(=O)=O ZINC001181652099 833171251 /nfs/dbraw/zinc/17/12/51/833171251.db2.gz IVNSRYRSTXPYOV-CHWSQXEVSA-N 1 3 332.470 -0.838 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001182473289 833236138 /nfs/dbraw/zinc/23/61/38/833236138.db2.gz OZUVYKJQLFCTBJ-ZIAGYGMSSA-N 1 3 346.497 -0.401 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001182473289 833236143 /nfs/dbraw/zinc/23/61/43/833236143.db2.gz OZUVYKJQLFCTBJ-ZIAGYGMSSA-N 1 3 346.497 -0.401 20 0 EBADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001124879401 827973202 /nfs/dbraw/zinc/97/32/02/827973202.db2.gz SWDSBCHAHKAIOL-MNOVXSKESA-N 1 3 336.358 -0.050 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183230271 833284164 /nfs/dbraw/zinc/28/41/64/833284164.db2.gz WNCSGWKLMKFFJI-HUUCEWRRSA-N 1 3 343.468 -0.315 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183648263 833298311 /nfs/dbraw/zinc/29/83/11/833298311.db2.gz RNZVHRKKEJUHAM-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)N(C)C ZINC001183581446 833295659 /nfs/dbraw/zinc/29/56/59/833295659.db2.gz JEYMBBXQYZESAP-RRFJBIMHSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)N(C)C ZINC001183581445 833295886 /nfs/dbraw/zinc/29/58/86/833295886.db2.gz JEYMBBXQYZESAP-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)N(C)C ZINC001183582504 833296272 /nfs/dbraw/zinc/29/62/72/833296272.db2.gz ZTFLWZBFVNEHJO-RBSFLKMASA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257232 828269956 /nfs/dbraw/zinc/26/99/56/828269956.db2.gz 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ZINC001127563523 828303512 /nfs/dbraw/zinc/30/35/12/828303512.db2.gz ZRQRDGLGDGXQDT-CYBMUJFWSA-N 1 3 338.456 -0.321 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127690809 828314939 /nfs/dbraw/zinc/31/49/39/828314939.db2.gz URNFLSKKBZUJDB-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127690809 828314948 /nfs/dbraw/zinc/31/49/48/828314948.db2.gz URNFLSKKBZUJDB-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685475 828315274 /nfs/dbraw/zinc/31/52/74/828315274.db2.gz PFTHJBPFJIUGKB-QJPTWQEYSA-N 1 3 327.429 -0.733 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685475 828315281 /nfs/dbraw/zinc/31/52/81/828315281.db2.gz PFTHJBPFJIUGKB-QJPTWQEYSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001127690977 828315377 /nfs/dbraw/zinc/31/53/77/828315377.db2.gz VGSYASNQXWBISI-HZSPNIEDSA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001127690977 828315385 /nfs/dbraw/zinc/31/53/85/828315385.db2.gz VGSYASNQXWBISI-HZSPNIEDSA-N 1 3 326.441 -0.672 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001127701503 828316586 /nfs/dbraw/zinc/31/65/86/828316586.db2.gz QWEOFFSASGGIRD-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCO[C@H](C)C2)CC[N@H+]1C ZINC001127701503 828316599 /nfs/dbraw/zinc/31/65/99/828316599.db2.gz QWEOFFSASGGIRD-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001127700713 828316642 /nfs/dbraw/zinc/31/66/42/828316642.db2.gz BJMZOMJCWGUDIS-QWHCGFSZSA-N 1 3 334.486 -0.686 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001127700713 828316653 /nfs/dbraw/zinc/31/66/53/828316653.db2.gz BJMZOMJCWGUDIS-QWHCGFSZSA-N 1 3 334.486 -0.686 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778459 828325810 /nfs/dbraw/zinc/32/58/10/828325810.db2.gz FJTDCHCLACHEER-STQMWFEESA-N 1 3 326.441 -0.530 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778459 828325817 /nfs/dbraw/zinc/32/58/17/828325817.db2.gz FJTDCHCLACHEER-STQMWFEESA-N 1 3 326.441 -0.530 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127777697 828326166 /nfs/dbraw/zinc/32/61/66/828326166.db2.gz BFYCJIXQQKCSOI-LSDHHAIUSA-N 1 3 349.435 -0.137 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127777697 828326176 /nfs/dbraw/zinc/32/61/76/828326176.db2.gz BFYCJIXQQKCSOI-LSDHHAIUSA-N 1 3 349.435 -0.137 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779246 828329131 /nfs/dbraw/zinc/32/91/31/828329131.db2.gz JXTVFYBMPDKGPE-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779246 828329141 /nfs/dbraw/zinc/32/91/41/828329141.db2.gz JXTVFYBMPDKGPE-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001130711122 828920583 /nfs/dbraw/zinc/92/05/83/828920583.db2.gz OBUMXERXGUIAQG-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001130711122 828920586 /nfs/dbraw/zinc/92/05/86/828920586.db2.gz OBUMXERXGUIAQG-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO CC(C)(C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001184807026 833340678 /nfs/dbraw/zinc/34/06/78/833340678.db2.gz PTEYHSNGGIUHIP-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001185168286 833348582 /nfs/dbraw/zinc/34/85/82/833348582.db2.gz VIHHVIRERVOMFH-ZDEQEGDKSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001185168286 833348584 /nfs/dbraw/zinc/34/85/84/833348584.db2.gz VIHHVIRERVOMFH-ZDEQEGDKSA-N 1 3 339.440 -0.509 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185264240 833353082 /nfs/dbraw/zinc/35/30/82/833353082.db2.gz CXOWWGKHRRRBGQ-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H]1CN(C(=O)CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001185415908 833358247 /nfs/dbraw/zinc/35/82/47/833358247.db2.gz JVCKHPZXMZHJOX-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185445985 833358737 /nfs/dbraw/zinc/35/87/37/833358737.db2.gz HYNCCEDOJWCGKY-BZUAXINKSA-N 1 3 345.484 -0.213 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185651129 833364939 /nfs/dbraw/zinc/36/49/39/833364939.db2.gz SXEVCJQMGYREMU-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519409 829150099 /nfs/dbraw/zinc/15/00/99/829150099.db2.gz DBQDWMLGUFOMSE-XOYHFGRZSA-N 1 3 338.452 -0.528 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519409 829150107 /nfs/dbraw/zinc/15/01/07/829150107.db2.gz DBQDWMLGUFOMSE-XOYHFGRZSA-N 1 3 338.452 -0.528 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1)N(C)C ZINC001185716569 833367999 /nfs/dbraw/zinc/36/79/99/833367999.db2.gz ZGHOCLIGQLPAOY-KFWWJZLASA-N 1 3 331.457 -0.459 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522153 829153903 /nfs/dbraw/zinc/15/39/03/829153903.db2.gz UPTRAMPKNVAUPV-YRTQGLMCSA-N 1 3 336.436 -0.824 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522153 829153906 /nfs/dbraw/zinc/15/39/06/829153906.db2.gz UPTRAMPKNVAUPV-YRTQGLMCSA-N 1 3 336.436 -0.824 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185919629 833377444 /nfs/dbraw/zinc/37/74/44/833377444.db2.gz XLNPAUIJVIVNTJ-TZMCWYRMSA-N 1 3 326.397 -0.833 20 0 EBADHO CN(CCNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)S(C)(=O)=O ZINC001131790671 829217787 /nfs/dbraw/zinc/21/77/87/829217787.db2.gz SAAPVPJWSJUZLS-AWEZNQCLSA-N 1 3 346.497 -0.542 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001186486520 833403253 /nfs/dbraw/zinc/40/32/53/833403253.db2.gz ARPOKWXEXUXWKX-ZIAGYGMSSA-N 1 3 331.482 -0.047 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)N(C)C ZINC001186409681 833400622 /nfs/dbraw/zinc/40/06/22/833400622.db2.gz BUSSJKTUPYKPGV-ZIAGYGMSSA-N 1 3 340.468 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186452781 833402178 /nfs/dbraw/zinc/40/21/78/833402178.db2.gz RMUBBZGYHGDDOZ-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001186459476 833402556 /nfs/dbraw/zinc/40/25/56/833402556.db2.gz WHMQLNYPWWFCPM-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001186496996 833403548 /nfs/dbraw/zinc/40/35/48/833403548.db2.gz VVUYGJLAGPNTJY-CQSZACIVSA-N 1 3 348.513 -0.200 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001186487258 833403574 /nfs/dbraw/zinc/40/35/74/833403574.db2.gz IVSGQIUAZPVURV-OAHLLOKOSA-N 1 3 328.457 -0.329 20 0 EBADHO CC(C)(C(=O)NCCNCC(=O)NC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001132287556 829407116 /nfs/dbraw/zinc/40/71/16/829407116.db2.gz ZQMPUSXLUOGGCS-AWEZNQCLSA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC)C1 ZINC001132737997 829512093 /nfs/dbraw/zinc/51/20/93/829512093.db2.gz SSDTTZHODFFVMI-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC)C1 ZINC001132737997 829512101 /nfs/dbraw/zinc/51/21/01/829512101.db2.gz SSDTTZHODFFVMI-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886457 829544315 /nfs/dbraw/zinc/54/43/15/829544315.db2.gz NCNOEBKOFUWKQF-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886457 829544320 /nfs/dbraw/zinc/54/43/20/829544320.db2.gz NCNOEBKOFUWKQF-STQMWFEESA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995397 829568506 /nfs/dbraw/zinc/56/85/06/829568506.db2.gz RMHXRHUACHFCEF-LBPRGKRZSA-N 1 3 341.456 -0.343 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC2CCOCC2)CC1 ZINC001133285883 829614884 /nfs/dbraw/zinc/61/48/84/829614884.db2.gz MLRJMXKJIHELKM-UHFFFAOYSA-N 1 3 326.441 -0.671 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285973 829615109 /nfs/dbraw/zinc/61/51/09/829615109.db2.gz QNMZXEGOYJQOPB-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275695 829615285 /nfs/dbraw/zinc/61/52/85/829615285.db2.gz WGKOUHCISOPLNX-STQMWFEESA-N 1 3 341.456 -0.403 20 0 EBADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001133286148 829616301 /nfs/dbraw/zinc/61/63/01/829616301.db2.gz ZOPIAFIOMVYJPD-DZGCQCFKSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133433977 829630864 /nfs/dbraw/zinc/63/08/64/829630864.db2.gz FZTTZBJVTKIQSG-CQSZACIVSA-N 1 3 343.472 -0.240 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)N(C)C ZINC001133433846 829631464 /nfs/dbraw/zinc/63/14/64/829631464.db2.gz BZGPIVJFUKEQLA-CYBMUJFWSA-N 1 3 336.502 -0.440 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)N(C)C ZINC001133434375 829631528 /nfs/dbraw/zinc/63/15/28/829631528.db2.gz OLELIMMJCLITGR-GDBMZVCRSA-N 1 3 345.484 -0.165 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCCNS(=O)(=O)CC)C1 ZINC001186833846 833433065 /nfs/dbraw/zinc/43/30/65/833433065.db2.gz JPNOQLABTQEYTI-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCNS(=O)(=O)CC)C1 ZINC001186833846 833433068 /nfs/dbraw/zinc/43/30/68/833433068.db2.gz JPNOQLABTQEYTI-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001133819765 829679733 /nfs/dbraw/zinc/67/97/33/829679733.db2.gz NTNPKIDVHWJXFC-KGLIPLIRSA-N 1 3 326.441 -0.840 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133823936 829681164 /nfs/dbraw/zinc/68/11/64/829681164.db2.gz STRLCBVHEKEKCP-GFCCVEGCSA-N 1 3 325.413 -0.882 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133833595 829681367 /nfs/dbraw/zinc/68/13/67/829681367.db2.gz AGQJVPXZOPXALM-AWEZNQCLSA-N 1 3 333.436 -0.112 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133833595 829681372 /nfs/dbraw/zinc/68/13/72/829681372.db2.gz AGQJVPXZOPXALM-AWEZNQCLSA-N 1 3 333.436 -0.112 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133845418 829684707 /nfs/dbraw/zinc/68/47/07/829684707.db2.gz FJWGYTVGKNGENZ-UONOGXRCSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001133845699 829685302 /nfs/dbraw/zinc/68/53/02/829685302.db2.gz LVJTXZXQFQYSGE-ZDUSSCGKSA-N 1 3 334.486 -0.685 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133865468 829689871 /nfs/dbraw/zinc/68/98/71/829689871.db2.gz DILUOIFUVYDCBC-OLZOCXBDSA-N 1 3 341.456 -0.484 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133865468 829689875 /nfs/dbraw/zinc/68/98/75/829689875.db2.gz DILUOIFUVYDCBC-OLZOCXBDSA-N 1 3 341.456 -0.484 20 0 EBADHO C[C@@H](NCCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001133890189 829694518 /nfs/dbraw/zinc/69/45/18/829694518.db2.gz JSRJYFGPBSRSCI-GFCCVEGCSA-N 1 3 349.435 -0.307 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896689 829695508 /nfs/dbraw/zinc/69/55/08/829695508.db2.gz OLKUCEHLTDTXNV-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001133908513 829697153 /nfs/dbraw/zinc/69/71/53/829697153.db2.gz VBUGVLOZOBTUEW-UHFFFAOYSA-N 1 3 327.429 -0.778 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968367 829707997 /nfs/dbraw/zinc/70/79/97/829707997.db2.gz WKRZIZDHZNEONI-KGLIPLIRSA-N 1 3 330.473 -0.036 20 0 EBADHO C[C@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134759604 829841454 /nfs/dbraw/zinc/84/14/54/829841454.db2.gz VBCCEVRDWNUDLA-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]CC(=O)NC(N)=O ZINC001135468064 829971816 /nfs/dbraw/zinc/97/18/16/829971816.db2.gz LWHKDCUSQMGSIS-NEPJUHHUSA-N 1 3 341.456 -0.214 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001135511565 829978634 /nfs/dbraw/zinc/97/86/34/829978634.db2.gz SXHPDAPURZXDMB-LLVKDONJSA-N 1 3 329.363 -0.026 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240537 837412501 /nfs/dbraw/zinc/41/25/01/837412501.db2.gz MFXQDIWCRGCHGM-CYBMUJFWSA-N 1 3 339.440 -0.362 20 0 EBADHO CC(C)N1CC[C@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135963513 830053006 /nfs/dbraw/zinc/05/30/06/830053006.db2.gz QYAIBQANRBOUHX-HNNXBMFYSA-N 1 3 340.468 -0.188 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979499 830056292 /nfs/dbraw/zinc/05/62/92/830056292.db2.gz GVIHPBXJZYOHOM-STQMWFEESA-N 1 3 336.502 -0.250 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257852 837418124 /nfs/dbraw/zinc/41/81/24/837418124.db2.gz VVZOLARUDHKNLW-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286141 837421681 /nfs/dbraw/zinc/42/16/81/837421681.db2.gz TYMBHHTYJWWBNC-HOTGVXAUSA-N 1 3 345.484 -0.069 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146392366 830195695 /nfs/dbraw/zinc/19/56/95/830195695.db2.gz RPGBMTFXDZYNBB-UHFFFAOYSA-N 1 3 348.513 -0.248 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599611 830211544 /nfs/dbraw/zinc/21/15/44/830211544.db2.gz CIWGLYIHEAXJKM-CHWSQXEVSA-N 1 3 336.502 -0.251 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147891987 830426987 /nfs/dbraw/zinc/42/69/87/830426987.db2.gz GDZPKCZOVOMXKS-ZDUSSCGKSA-N 1 3 341.456 -0.484 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147891987 830426989 /nfs/dbraw/zinc/42/69/89/830426989.db2.gz GDZPKCZOVOMXKS-ZDUSSCGKSA-N 1 3 341.456 -0.484 20 0 EBADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900628 830428458 /nfs/dbraw/zinc/42/84/58/830428458.db2.gz SWJOHNRIZWXKKR-RYUDHWBXSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900628 830428460 /nfs/dbraw/zinc/42/84/60/830428460.db2.gz SWJOHNRIZWXKKR-RYUDHWBXSA-N 1 3 339.440 -0.589 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001147900767 830428628 /nfs/dbraw/zinc/42/86/28/830428628.db2.gz VOYAUKKMUVGLBB-UONOGXRCSA-N 1 3 326.441 -0.813 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001147900767 830428632 /nfs/dbraw/zinc/42/86/32/830428632.db2.gz VOYAUKKMUVGLBB-UONOGXRCSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NCC(F)(F)F ZINC001147999842 830436977 /nfs/dbraw/zinc/43/69/77/830436977.db2.gz FXMGASRBXIBMOP-JTQLQIEISA-N 1 3 336.358 -0.145 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001148642900 830522432 /nfs/dbraw/zinc/52/24/32/830522432.db2.gz PWIBQOZZEWDFJL-UHFFFAOYSA-N 1 3 337.486 -0.515 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001148655178 830524387 /nfs/dbraw/zinc/52/43/87/830524387.db2.gz JMTMNSHARBDHAQ-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001149124593 830594539 /nfs/dbraw/zinc/59/45/39/830594539.db2.gz WBJHUZUYIQWEBE-LBPRGKRZSA-N 1 3 343.453 -0.752 20 0 EBADHO COC[C@@H](C)N1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587751 830938859 /nfs/dbraw/zinc/93/88/59/830938859.db2.gz JPBHQFARCLTWET-HUUCEWRRSA-N 1 3 331.457 -0.193 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001150620607 830945882 /nfs/dbraw/zinc/94/58/82/830945882.db2.gz UJEWPEBISUUMQV-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCCO1 ZINC001150620607 830945886 /nfs/dbraw/zinc/94/58/86/830945886.db2.gz UJEWPEBISUUMQV-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049677 831016239 /nfs/dbraw/zinc/01/62/39/831016239.db2.gz WAERSSFNVIUKKO-NEPJUHHUSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049677 831016247 /nfs/dbraw/zinc/01/62/47/831016247.db2.gz WAERSSFNVIUKKO-NEPJUHHUSA-N 1 3 341.456 -0.343 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072923 831021210 /nfs/dbraw/zinc/02/12/10/831021210.db2.gz AKOWDJDKFHQVAN-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072923 831021218 /nfs/dbraw/zinc/02/12/18/831021218.db2.gz AKOWDJDKFHQVAN-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO COc1cncc(CNCCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001151156667 831034403 /nfs/dbraw/zinc/03/44/03/831034403.db2.gz GFMCZTQSLCMROZ-CYBMUJFWSA-N 1 3 337.424 -0.341 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362479 831061176 /nfs/dbraw/zinc/06/11/76/831061176.db2.gz WXLHSERTMQTFER-UHFFFAOYSA-N 1 3 348.513 -0.102 20 0 EBADHO CN(CCNCCNC(=O)CCC[NH+]1CCCC1)S(C)(=O)=O ZINC001152223446 831143381 /nfs/dbraw/zinc/14/33/81/831143381.db2.gz LTOKBHZCDYPEHE-UHFFFAOYSA-N 1 3 334.486 -0.540 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001152222838 831143912 /nfs/dbraw/zinc/14/39/12/831143912.db2.gz CVBFITYXVIOCHW-OAHLLOKOSA-N 1 3 340.468 -0.137 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237749 831145091 /nfs/dbraw/zinc/14/50/91/831145091.db2.gz SYFBXHIQKFDFII-UHFFFAOYSA-N 1 3 335.408 -0.477 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152444902 831163432 /nfs/dbraw/zinc/16/34/32/831163432.db2.gz BFOVIPUCUHUGPI-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001152446466 831164514 /nfs/dbraw/zinc/16/45/14/831164514.db2.gz ZCBKSPHFUWYJRV-ZIAGYGMSSA-N 1 3 328.457 -0.284 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001152458600 831165801 /nfs/dbraw/zinc/16/58/01/831165801.db2.gz RLXAZUNYNZUTLA-LSDHHAIUSA-N 1 3 331.457 -0.410 20 0 EBADHO CN1CCNC[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157386410 831563615 /nfs/dbraw/zinc/56/36/15/831563615.db2.gz KLCMOXLDSOBQQS-UONOGXRCSA-N 1 3 325.457 -0.874 20 0 EBADHO O=C(c1ccc2c(n1)CCNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119171 831630120 /nfs/dbraw/zinc/63/01/20/831630120.db2.gz GHBXFGZIRAHOST-SFHVURJKSA-N 1 3 341.415 -0.721 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326112 831646838 /nfs/dbraw/zinc/64/68/38/831646838.db2.gz GYQMRLTYNKSQPT-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810238 831688799 /nfs/dbraw/zinc/68/87/99/831688799.db2.gz DHVHPWNKHYNROY-BYNSBNAKSA-N 1 3 338.452 -0.319 20 0 EBADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001159085902 831707957 /nfs/dbraw/zinc/70/79/57/831707957.db2.gz ZJKOLJOSLQMQQO-SQWLQELKSA-N 1 3 346.435 -0.547 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103430 831709229 /nfs/dbraw/zinc/70/92/29/831709229.db2.gz QVHADOKPFWTABN-AWEZNQCLSA-N 1 3 345.451 -0.031 20 0 EBADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001159135734 831710963 /nfs/dbraw/zinc/71/09/63/831710963.db2.gz YGWYQBCLEDEFJJ-HEWAKGLMSA-N 1 3 341.481 -0.501 20 0 EBADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H](N)CCC[NH3+])cn1 ZINC001159237179 831726385 /nfs/dbraw/zinc/72/63/85/831726385.db2.gz XVBXTBAUSRJAFI-HZSPNIEDSA-N 1 3 334.424 -0.698 20 0 EBADHO CCN1CC[C@@]2(CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]2C)C1=O ZINC001159318418 831739137 /nfs/dbraw/zinc/73/91/37/831739137.db2.gz NXVKGIFVVLHXEB-HUBLWGQQSA-N 1 3 328.482 -0.278 20 0 EBADHO CCN1CC[C@@]2(CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]2C)C1=O ZINC001159317961 831739347 /nfs/dbraw/zinc/73/93/47/831739347.db2.gz FMZHTOYSVVYZRF-JFTQMJAMSA-N 1 3 334.464 -0.098 20 0 EBADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@]24C[NH2+]C[C@H]2CNCC4)C3)n1 ZINC001159472167 831755799 /nfs/dbraw/zinc/75/57/99/831755799.db2.gz RKJFGHKTVKJMAN-BQGCOEIASA-N 1 3 347.419 -0.696 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159861013 831788456 /nfs/dbraw/zinc/78/84/56/831788456.db2.gz ILRVRYUPVSZYED-UHFFFAOYSA-N 1 3 334.486 -0.494 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)CCC1 ZINC001159861044 831789128 /nfs/dbraw/zinc/78/91/28/831789128.db2.gz IWMPWJLTGCUEME-UHFFFAOYSA-N 1 3 348.513 -0.152 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)CCO1 ZINC001159861709 831789142 /nfs/dbraw/zinc/78/91/42/831789142.db2.gz QGJPYOCPGVTGAZ-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)CCC1 ZINC001159854758 831789263 /nfs/dbraw/zinc/78/92/63/831789263.db2.gz SILKBZZNMPAYPZ-UHFFFAOYSA-N 1 3 334.424 -0.005 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001159916774 831796881 /nfs/dbraw/zinc/79/68/81/831796881.db2.gz SHPIWCFRLXGYHR-OAHLLOKOSA-N 1 3 334.424 -0.149 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159992538 831802854 /nfs/dbraw/zinc/80/28/54/831802854.db2.gz MFCQRBHOVVXOIF-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003450 831804905 /nfs/dbraw/zinc/80/49/05/831804905.db2.gz OXVSBQBAVDBPIK-UHFFFAOYSA-N 1 3 334.486 -0.494 20 0 EBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)CSCC[NH3+])CCO2 ZINC001160180422 831822969 /nfs/dbraw/zinc/82/29/69/831822969.db2.gz SPOMXALXVBKCTG-DZGCQCFKSA-N 1 3 344.481 -0.755 20 0 EBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)CCCC[NH3+])CCO2 ZINC001160180250 831823041 /nfs/dbraw/zinc/82/30/41/831823041.db2.gz RTZHEFRQDUGFFO-HOCLYGCPSA-N 1 3 326.441 -0.317 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427046 831847800 /nfs/dbraw/zinc/84/78/00/831847800.db2.gz LWCHOZLWUYYQDZ-AWEZNQCLSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160542063 831862253 /nfs/dbraw/zinc/86/22/53/831862253.db2.gz NCEBTRBPEBIHIH-MJVIPROJSA-N 1 3 334.424 -0.083 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573908 831865457 /nfs/dbraw/zinc/86/54/57/831865457.db2.gz XYFOKNYXBLOPPX-AWEZNQCLSA-N 1 3 326.400 -0.329 20 0 EBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(c2cccnn2)CC1 ZINC001160572058 831865682 /nfs/dbraw/zinc/86/56/82/831865682.db2.gz YMOGPFRFHUOFHF-CQSZACIVSA-N 1 3 330.436 -0.001 20 0 EBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(c2cccnn2)CC1 ZINC001160572058 831865690 /nfs/dbraw/zinc/86/56/90/831865690.db2.gz YMOGPFRFHUOFHF-CQSZACIVSA-N 1 3 330.436 -0.001 20 0 EBADHO O=C([C@H]1NCC[C@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589469 831867592 /nfs/dbraw/zinc/86/75/92/831867592.db2.gz UZLCPQYKEFMWET-KGLIPLIRSA-N 1 3 330.388 -0.435 20 0 EBADHO COC(CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])OC ZINC001160686831 831879226 /nfs/dbraw/zinc/87/92/26/831879226.db2.gz ZEQVMZJVBKOOCO-STQMWFEESA-N 1 3 344.456 -0.489 20 0 EBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716929 831879867 /nfs/dbraw/zinc/87/98/67/831879867.db2.gz TWIABIFPCVGWAY-CYBMUJFWSA-N 1 3 348.447 -0.094 20 0 EBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716929 831879870 /nfs/dbraw/zinc/87/98/70/831879870.db2.gz TWIABIFPCVGWAY-CYBMUJFWSA-N 1 3 348.447 -0.094 20 0 EBADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001160746859 831883077 /nfs/dbraw/zinc/88/30/77/831883077.db2.gz OCKRHJISOGJQCD-ZFWWWQNUSA-N 1 3 326.441 -0.543 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CNC[C@@H](F)C3)C[C@H]1C2 ZINC001160791876 831887279 /nfs/dbraw/zinc/88/72/79/831887279.db2.gz GSGRDKVDHILIHM-UQSNBNBGSA-N 1 3 339.411 -0.209 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3(N)CC(F)C3)C[C@H]1C2 ZINC001160797440 831888677 /nfs/dbraw/zinc/88/86/77/831888677.db2.gz OVQDXUIGRQTKPD-QNJLVPSGSA-N 1 3 325.384 -0.327 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C ZINC001160890177 831904147 /nfs/dbraw/zinc/90/41/47/831904147.db2.gz XSXIWGUTXASMPQ-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161093459 831923230 /nfs/dbraw/zinc/92/32/30/831923230.db2.gz OOPJPTBFYURILL-QWHCGFSZSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161093459 831923233 /nfs/dbraw/zinc/92/32/33/831923233.db2.gz OOPJPTBFYURILL-QWHCGFSZSA-N 1 3 325.409 -0.349 20 0 EBADHO CC(C)(O)CCN1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001161175330 831935545 /nfs/dbraw/zinc/93/55/45/831935545.db2.gz KUMXXIQODSVKFG-OAHLLOKOSA-N 1 3 341.500 -0.958 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161251519 831941773 /nfs/dbraw/zinc/94/17/73/831941773.db2.gz QZDIZBUNODNBDO-UHFFFAOYSA-N 1 3 330.473 -0.035 20 0 EBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)nc1 ZINC001161299554 831945068 /nfs/dbraw/zinc/94/50/68/831945068.db2.gz XFDKBVUVAIFEOB-GXTWGEPZSA-N 1 3 335.408 -0.208 20 0 EBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)nc1 ZINC001161299555 831945382 /nfs/dbraw/zinc/94/53/82/831945382.db2.gz XFDKBVUVAIFEOB-JSGCOSHPSA-N 1 3 335.408 -0.208 20 0 EBADHO Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872249 832068642 /nfs/dbraw/zinc/06/86/42/832068642.db2.gz LSDYQZQHMTXJMB-GULBITTBSA-N 1 3 333.436 -0.121 20 0 EBADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872341 832069348 /nfs/dbraw/zinc/06/93/48/832069348.db2.gz OOZVZYKDFUAEMF-XOYHFGRZSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@@H]1CN(c2ccc(NCc3nnn4c3CNCCC4)nn2)CC[NH2+]1 ZINC001162972940 832073470 /nfs/dbraw/zinc/07/34/70/832073470.db2.gz MITYHOBIZTWUMG-GFCCVEGCSA-N 1 3 343.439 -0.028 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC(C)(O)CC1 ZINC001351207144 832221994 /nfs/dbraw/zinc/22/19/94/832221994.db2.gz ABFHFRRBOYGEPU-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001165718467 832234462 /nfs/dbraw/zinc/23/44/62/832234462.db2.gz KTOFOBYXCYELFQ-NWDGAFQWSA-N 1 3 341.456 -0.214 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626187 832274486 /nfs/dbraw/zinc/27/44/86/832274486.db2.gz CCEQUIHCRILMPU-GJZGRUSLSA-N 1 3 331.457 -0.410 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001166633460 832275059 /nfs/dbraw/zinc/27/50/59/832275059.db2.gz GIUJCKQVNHPNHA-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667798 832277920 /nfs/dbraw/zinc/27/79/20/832277920.db2.gz ITGIMWXUGBINLF-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166736585 832286008 /nfs/dbraw/zinc/28/60/08/832286008.db2.gz NZJONRPHFKQCFJ-UHFFFAOYSA-N 1 3 339.440 -0.634 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001351982459 832300140 /nfs/dbraw/zinc/30/01/40/832300140.db2.gz GLWZYWXDJNUWNA-UHFFFAOYSA-N 1 3 325.457 -0.968 20 0 EBADHO CS(=O)(=O)N(c1nccc(N2CCC([NH3+])CC2)n1)C1CNC1 ZINC001166970382 832304090 /nfs/dbraw/zinc/30/40/90/832304090.db2.gz KTFXNEPOQMDTOA-UHFFFAOYSA-N 1 3 326.426 -0.858 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001167633438 832360503 /nfs/dbraw/zinc/36/05/03/832360503.db2.gz CKODAZVHLIZKHE-AWEZNQCLSA-N 1 3 348.513 -0.106 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001167627493 832360613 /nfs/dbraw/zinc/36/06/13/832360613.db2.gz ONVTVMJPQOPIOJ-LBPRGKRZSA-N 1 3 327.429 -0.460 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001167633440 832360972 /nfs/dbraw/zinc/36/09/72/832360972.db2.gz CKODAZVHLIZKHE-CQSZACIVSA-N 1 3 348.513 -0.106 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001168763647 832434206 /nfs/dbraw/zinc/43/42/06/832434206.db2.gz RCTJWTYMHPMIQR-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001171770081 832575947 /nfs/dbraw/zinc/57/59/47/832575947.db2.gz LXANMXMZFWATLF-HNNXBMFYSA-N 1 3 345.484 -0.019 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001174691425 832593927 /nfs/dbraw/zinc/59/39/27/832593927.db2.gz LPMAZEISCFSIRW-UHFFFAOYSA-N 1 3 345.469 -0.362 20 0 EBADHO Cc1nnc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)s1 ZINC001176049189 832654374 /nfs/dbraw/zinc/65/43/74/832654374.db2.gz KLEWQUSAVKWHBZ-NSHDSACASA-N 1 3 340.453 -0.167 20 0 EBADHO Cc1nnc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001176049189 832654376 /nfs/dbraw/zinc/65/43/76/832654376.db2.gz KLEWQUSAVKWHBZ-NSHDSACASA-N 1 3 340.453 -0.167 20 0 EBADHO Cn1ccc(N2CC[C@H](NCCCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057529 832654503 /nfs/dbraw/zinc/65/45/03/832654503.db2.gz PRHZPITZGSBINY-KGLIPLIRSA-N 1 3 348.451 -0.427 20 0 EBADHO Cn1ccc(N2CC[C@H](NCCCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2=O)n1 ZINC001176057529 832654506 /nfs/dbraw/zinc/65/45/06/832654506.db2.gz PRHZPITZGSBINY-KGLIPLIRSA-N 1 3 348.451 -0.427 20 0 EBADHO Cc1nonc1CNCCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176170377 832661123 /nfs/dbraw/zinc/66/11/23/832661123.db2.gz UUIIPLCYOFZAHM-GFCCVEGCSA-N 1 3 325.413 -0.058 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176986036 832725725 /nfs/dbraw/zinc/72/57/25/832725725.db2.gz CHJZSPJRFLPCEW-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001176991784 832727645 /nfs/dbraw/zinc/72/76/45/832727645.db2.gz DQZLPBRQPHQIAA-AWEZNQCLSA-N 1 3 348.513 -0.104 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CCCN1C ZINC001178361414 832853056 /nfs/dbraw/zinc/85/30/56/832853056.db2.gz YORSNUINKCFATD-RWMBFGLXSA-N 1 3 332.470 -0.791 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178360148 832853666 /nfs/dbraw/zinc/85/36/66/832853666.db2.gz MQEKQYZOVSSSIP-BPUTZDHNSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303436 832968778 /nfs/dbraw/zinc/96/87/78/832968778.db2.gz CAFXVOYUGGJVMH-YHUYYLMFSA-N 1 3 343.468 -0.317 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C)N(C)C ZINC001179553962 832988970 /nfs/dbraw/zinc/98/89/70/832988970.db2.gz IDZZBWAILLUASY-RHYQMDGZSA-N 1 3 327.429 -0.511 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001187329756 833921215 /nfs/dbraw/zinc/92/12/15/833921215.db2.gz VCAOCYHYIKXUTR-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)C1 ZINC001187817474 833969573 /nfs/dbraw/zinc/96/95/73/833969573.db2.gz FXAJFGWNSGIFSA-WDEREUQCSA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)C1 ZINC001187817474 833969582 /nfs/dbraw/zinc/96/95/82/833969582.db2.gz FXAJFGWNSGIFSA-WDEREUQCSA-N 1 3 336.358 -0.193 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)NC(N)=O ZINC001188098812 834002861 /nfs/dbraw/zinc/00/28/61/834002861.db2.gz DZCWGKSCYURZJO-QWHCGFSZSA-N 1 3 339.440 -0.364 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189477996 834159935 /nfs/dbraw/zinc/15/99/35/834159935.db2.gz MNXGJQAIMWETRX-MELADBBJSA-N 1 3 336.436 -0.334 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189477996 834159941 /nfs/dbraw/zinc/15/99/41/834159941.db2.gz MNXGJQAIMWETRX-MELADBBJSA-N 1 3 336.436 -0.334 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047414 834600989 /nfs/dbraw/zinc/60/09/89/834600989.db2.gz RXZKRQDUSZPTCX-ZDUSSCGKSA-N 1 3 339.440 -0.587 20 0 EBADHO CN(C)S(=O)(=O)CCCN(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169596 834619758 /nfs/dbraw/zinc/61/97/58/834619758.db2.gz AZJIWOPYBMYRFV-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COCCOC)C1 ZINC001192970865 834773803 /nfs/dbraw/zinc/77/38/03/834773803.db2.gz ZLSPOLRIAFIYIO-HZPDHXFCSA-N 1 3 345.484 -0.115 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COCCOC)C1 ZINC001192970865 834773808 /nfs/dbraw/zinc/77/38/08/834773808.db2.gz ZLSPOLRIAFIYIO-HZPDHXFCSA-N 1 3 345.484 -0.115 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001199787515 835860612 /nfs/dbraw/zinc/86/06/12/835860612.db2.gz ARNXBRZNSDFLLS-CYBMUJFWSA-N 1 3 332.470 -0.790 20 0 EBADHO CN(CC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)S(C)(=O)=O ZINC001199788746 835861156 /nfs/dbraw/zinc/86/11/56/835861156.db2.gz YTXPHRRDKYQONK-AWEZNQCLSA-N 1 3 346.497 -0.447 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001199826415 835866393 /nfs/dbraw/zinc/86/63/93/835866393.db2.gz KOMXDRKUDQMBMR-HOTGVXAUSA-N 1 3 335.452 -0.081 20 0 EBADHO OCC[NH+](CCO)CCCNC(=S)NCCN1CCCCC1 ZINC001200438399 835967141 /nfs/dbraw/zinc/96/71/41/835967141.db2.gz ZPZLOEBYMFXLBJ-UHFFFAOYSA-N 1 3 332.514 -0.387 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480241 835972668 /nfs/dbraw/zinc/97/26/68/835972668.db2.gz YLVCLUDBLYEIOY-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480241 835972676 /nfs/dbraw/zinc/97/26/76/835972676.db2.gz YLVCLUDBLYEIOY-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480242 835972842 /nfs/dbraw/zinc/97/28/42/835972842.db2.gz YLVCLUDBLYEIOY-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480242 835972851 /nfs/dbraw/zinc/97/28/51/835972851.db2.gz YLVCLUDBLYEIOY-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688209 836015906 /nfs/dbraw/zinc/01/59/06/836015906.db2.gz LUTBGTCCSICDMG-HIFRSBDPSA-N 1 3 326.441 -0.720 20 0 EBADHO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1)C(N)=O ZINC001200705254 836022192 /nfs/dbraw/zinc/02/21/92/836022192.db2.gz WSAHQHRQXYXTGS-GJZGRUSLSA-N 1 3 340.468 -0.058 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001200851334 836047931 /nfs/dbraw/zinc/04/79/31/836047931.db2.gz NRRNYQFBZIESTP-OAHLLOKOSA-N 1 3 345.484 -0.067 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001201246681 836117694 /nfs/dbraw/zinc/11/76/94/836117694.db2.gz UJERGDJVPDCSMB-IHRRRGAJSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001201246681 836117699 /nfs/dbraw/zinc/11/76/99/836117699.db2.gz UJERGDJVPDCSMB-IHRRRGAJSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001201333720 836129698 /nfs/dbraw/zinc/12/96/98/836129698.db2.gz BUEVCCPWSVCCQN-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@H](NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335030 836130674 /nfs/dbraw/zinc/13/06/74/836130674.db2.gz MMHBSSQUMPNJFB-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)N(C)C ZINC001201334610 836131023 /nfs/dbraw/zinc/13/10/23/836131023.db2.gz KMKIIJJGRHTOLQ-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201678312 836174912 /nfs/dbraw/zinc/17/49/12/836174912.db2.gz IHDLVGOBIXVJFK-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201687649 836175752 /nfs/dbraw/zinc/17/57/52/836175752.db2.gz HAUQWKONXZYSQC-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001201811089 836195929 /nfs/dbraw/zinc/19/59/29/836195929.db2.gz VOUXCSCGGYQMRR-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001201811089 836195936 /nfs/dbraw/zinc/19/59/36/836195936.db2.gz VOUXCSCGGYQMRR-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[C@@H](NC[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1)C(N)=O ZINC001201809222 836196079 /nfs/dbraw/zinc/19/60/79/836196079.db2.gz LAKGUHNQAQPOCC-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[C@@H](NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1)C(N)=O ZINC001201809222 836196085 /nfs/dbraw/zinc/19/60/85/836196085.db2.gz LAKGUHNQAQPOCC-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864269 836207891 /nfs/dbraw/zinc/20/78/91/836207891.db2.gz VBTZYMISMQQIFM-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864269 836207896 /nfs/dbraw/zinc/20/78/96/836207896.db2.gz VBTZYMISMQQIFM-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@H](NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201864475 836208448 /nfs/dbraw/zinc/20/84/48/836208448.db2.gz XVKBCJGMODBNMW-KGLIPLIRSA-N 1 3 344.456 -0.964 20 0 EBADHO CC[C@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871315 836208465 /nfs/dbraw/zinc/20/84/65/836208465.db2.gz IOFCUVWTEKLKKR-KGLIPLIRSA-N 1 3 338.452 -0.447 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871293 836208624 /nfs/dbraw/zinc/20/86/24/836208624.db2.gz IKTSWIPWAWSUNA-AWEZNQCLSA-N 1 3 338.452 -0.575 20 0 EBADHO CC[C@@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871317 836209167 /nfs/dbraw/zinc/20/91/67/836209167.db2.gz IOFCUVWTEKLKKR-ZIAGYGMSSA-N 1 3 338.452 -0.447 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1)C(N)=O ZINC001201891090 836211858 /nfs/dbraw/zinc/21/18/58/836211858.db2.gz JIVUFQYHBHWDCJ-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201931194 836218243 /nfs/dbraw/zinc/21/82/43/836218243.db2.gz JANWWQZQMDWPGX-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001202165466 836265619 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COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687670 836845973 /nfs/dbraw/zinc/84/59/73/836845973.db2.gz ICXKHPRFVKAQST-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1)[NH+](C)C ZINC001209474744 837169922 /nfs/dbraw/zinc/16/99/22/837169922.db2.gz KBEUPGBUYKEFNR-DGCLKSJQSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001209640992 837184519 /nfs/dbraw/zinc/18/45/19/837184519.db2.gz GKXOANRMYIELLG-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210228381 837256431 /nfs/dbraw/zinc/25/64/31/837256431.db2.gz IDLIOGFKUCEFDD-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210221313 837256476 /nfs/dbraw/zinc/25/64/76/837256476.db2.gz ZOFZSCGALBTXSI-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210221330 837257002 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EBADHO CN(CC(=O)N[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013769 839322175 /nfs/dbraw/zinc/32/21/75/839322175.db2.gz DXWSNFFUWTVRCB-ZIAGYGMSSA-N 1 3 336.436 -0.240 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001323443345 839442684 /nfs/dbraw/zinc/44/26/84/839442684.db2.gz RDABZAWVDZQACQ-STQMWFEESA-N 1 3 336.436 -0.097 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001323443345 839442687 /nfs/dbraw/zinc/44/26/87/839442687.db2.gz RDABZAWVDZQACQ-STQMWFEESA-N 1 3 336.436 -0.097 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1 ZINC001324098647 839591536 /nfs/dbraw/zinc/59/15/36/839591536.db2.gz SJWGNCKBHCFOMP-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001324261927 839618735 /nfs/dbraw/zinc/61/87/35/839618735.db2.gz VKTLWKWDWIUNCE-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001324261927 839618737 /nfs/dbraw/zinc/61/87/37/839618737.db2.gz VKTLWKWDWIUNCE-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@](C)(CO)C1 ZINC001325697546 839913931 /nfs/dbraw/zinc/91/39/31/839913931.db2.gz JONIWAXAIBWKDZ-QGZVFWFLSA-N 1 3 342.484 -0.441 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCCS(C)(=O)=O)C1 ZINC001327049559 840286932 /nfs/dbraw/zinc/28/69/32/840286932.db2.gz SKRFOQCJWGWTNX-CYBMUJFWSA-N 1 3 335.470 -0.810 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCCS(C)(=O)=O)C1 ZINC001327049559 840286935 /nfs/dbraw/zinc/28/69/35/840286935.db2.gz SKRFOQCJWGWTNX-CYBMUJFWSA-N 1 3 335.470 -0.810 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC001328386747 840668687 /nfs/dbraw/zinc/66/86/87/840668687.db2.gz STEANGOCFCZKDW-QGZVFWFLSA-N 1 3 340.468 -0.688 20 0 EBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329051512 840826028 /nfs/dbraw/zinc/82/60/28/840826028.db2.gz CBGNSXVQJHYIOJ-NWDGAFQWSA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330532817 841230993 /nfs/dbraw/zinc/23/09/93/841230993.db2.gz SLTIWTVXLGVESH-SGMGOOAPSA-N 1 3 326.441 -0.402 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330543096 841233374 /nfs/dbraw/zinc/23/33/74/841233374.db2.gz FZTKCGZFLLOCDY-ZDUSSCGKSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330568291 841237850 /nfs/dbraw/zinc/23/78/50/841237850.db2.gz SAIFIFHYKSQHGX-KGLIPLIRSA-N 1 3 337.468 -0.827 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001330746923 841266136 /nfs/dbraw/zinc/26/61/36/841266136.db2.gz NRMOYUQAWMTFIP-OKILXGFUSA-N 1 3 326.441 -0.957 20 0 EBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331550767 841425640 /nfs/dbraw/zinc/42/56/40/841425640.db2.gz JHSCKMGFFPIKLL-JYJNAYRXSA-N 1 3 330.432 -0.152 20 0 EBADHO CN1CCN(CC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1(C)C ZINC001335844185 842363381 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C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001345197053 843373647 /nfs/dbraw/zinc/37/36/47/843373647.db2.gz GKHUTUDQERUYAI-IHRRRGAJSA-N 1 3 338.452 -0.088 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001345197053 843373655 /nfs/dbraw/zinc/37/36/55/843373655.db2.gz GKHUTUDQERUYAI-IHRRRGAJSA-N 1 3 338.452 -0.088 20 0 EBADHO C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CCN(C)CC1 ZINC001347101283 843592501 /nfs/dbraw/zinc/59/25/01/843592501.db2.gz AVSJZZWVRWPQLZ-MRXNPFEDSA-N 1 3 342.532 -0.195 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)CCO1 ZINC001691365282 1125854530 /nfs/dbraw/zinc/85/45/30/1125854530.db2.gz VNZJJBHEUVTYHK-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC(=O)NC2CC2)C1 ZINC001691476554 1125884205 /nfs/dbraw/zinc/88/42/05/1125884205.db2.gz LSWNVHFWDOXAER-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC(=O)NC2CC2)C1 ZINC001691476554 1125884206 /nfs/dbraw/zinc/88/42/06/1125884206.db2.gz LSWNVHFWDOXAER-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(=O)NC ZINC001481238302 1125950002 /nfs/dbraw/zinc/95/00/02/1125950002.db2.gz PIXPJOYDGMYRRP-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(=O)NC ZINC001481238302 1125950003 /nfs/dbraw/zinc/95/00/03/1125950003.db2.gz PIXPJOYDGMYRRP-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CN(C)C1CCC1 ZINC001481240505 1125950497 /nfs/dbraw/zinc/95/04/97/1125950497.db2.gz MKCQWHQYFOLZEB-UHFFFAOYSA-N 1 3 325.413 -0.930 20 0 EBADHO CN(CCNCC(=O)NC(N)=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001481318096 1125972751 /nfs/dbraw/zinc/97/27/51/1125972751.db2.gz RSWGIVWZQAQHSH-UHFFFAOYSA-N 1 3 335.408 -0.395 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001481458453 1125993998 /nfs/dbraw/zinc/99/39/98/1125993998.db2.gz WDANZEBVVUKRQW-CHWSQXEVSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001481458453 1125993999 /nfs/dbraw/zinc/99/39/99/1125993999.db2.gz WDANZEBVVUKRQW-CHWSQXEVSA-N 1 3 341.456 -0.260 20 0 EBADHO C[C@H](C(=O)N(C)CCNCCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001691500256 1126030461 /nfs/dbraw/zinc/03/04/61/1126030461.db2.gz LIPRMQGYTKIDSL-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)C(=O)NC(N)=O ZINC001481880479 1126064058 /nfs/dbraw/zinc/06/40/58/1126064058.db2.gz FMMWJGWMSPLBPT-CHWSQXEVSA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001482268709 1126115681 /nfs/dbraw/zinc/11/56/81/1126115681.db2.gz ZXZPYNNZOCHZFP-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@H](NC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761847 1126280196 /nfs/dbraw/zinc/28/01/96/1126280196.db2.gz HXPZJULDJNBWAU-QWHCGFSZSA-N 1 3 342.484 -0.302 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785430 1126290331 /nfs/dbraw/zinc/29/03/31/1126290331.db2.gz IYCLMIXBUNOCSI-QWHCGFSZSA-N 1 3 328.457 -0.690 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)C1 ZINC001482785430 1126290333 /nfs/dbraw/zinc/29/03/33/1126290333.db2.gz IYCLMIXBUNOCSI-QWHCGFSZSA-N 1 3 328.457 -0.690 20 0 EBADHO CC[C@@H](C)NC(=O)CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787876 1126291120 /nfs/dbraw/zinc/29/11/20/1126291120.db2.gz XJHOUTIARHCRAC-CHWSQXEVSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790372 1126292182 /nfs/dbraw/zinc/29/21/82/1126292182.db2.gz AXRRINAQNZNIQV-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCCC2)C1 ZINC001482790372 1126292184 /nfs/dbraw/zinc/29/21/84/1126292184.db2.gz AXRRINAQNZNIQV-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO CC(C)(C(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043985 1126318574 /nfs/dbraw/zinc/31/85/74/1126318574.db2.gz YSIZOKGTKUCUFS-SCOBNMCVSA-N 1 3 336.436 -0.072 20 0 EBADHO O=C(NC/C=C/CN[C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025417 1126314672 /nfs/dbraw/zinc/31/46/72/1126314672.db2.gz WMIUSXKVDWJQMB-VSZDKKFSSA-N 1 3 348.447 -0.070 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691555822 1126321318 /nfs/dbraw/zinc/32/13/18/1126321318.db2.gz KUSIRZNBCGRSQG-QWHCGFSZSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N2CCOCC2)C1 ZINC001483059620 1126327312 /nfs/dbraw/zinc/32/73/12/1126327312.db2.gz VLIVJEUDNGGJQA-GWQWAINWSA-N 1 3 338.452 -0.551 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N2CCOCC2)C1 ZINC001483059620 1126327314 /nfs/dbraw/zinc/32/73/14/1126327314.db2.gz VLIVJEUDNGGJQA-GWQWAINWSA-N 1 3 338.452 -0.551 20 0 EBADHO C[C@H](NC[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597045 1126438947 /nfs/dbraw/zinc/43/89/47/1126438947.db2.gz UJUCMRIKSGRTQZ-SMDDNHRTSA-N 1 3 326.441 -0.545 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC001483746199 1126468383 /nfs/dbraw/zinc/46/83/83/1126468383.db2.gz KJDOCWKIVGZKKI-QWHCGFSZSA-N 1 3 331.482 0.000 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001484181882 1126512285 /nfs/dbraw/zinc/51/22/85/1126512285.db2.gz LCARMBYLWAPOME-CYBMUJFWSA-N 1 3 326.441 -0.401 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001484181882 1126512287 /nfs/dbraw/zinc/51/22/87/1126512287.db2.gz LCARMBYLWAPOME-CYBMUJFWSA-N 1 3 326.441 -0.401 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001484181882 1126512289 /nfs/dbraw/zinc/51/22/89/1126512289.db2.gz LCARMBYLWAPOME-CYBMUJFWSA-N 1 3 326.441 -0.401 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NC[C@]2(O)CCN(CCO)C2)cc1 ZINC001484234481 1126534103 /nfs/dbraw/zinc/53/41/03/1126534103.db2.gz CCPAABLUXIWKTI-GOSISDBHSA-N 1 3 335.448 -0.050 20 0 EBADHO CN(CCNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1)S(C)(=O)=O ZINC001484662224 1126614962 /nfs/dbraw/zinc/61/49/62/1126614962.db2.gz CMDAOZINDYGZAE-ZDUSSCGKSA-N 1 3 346.497 -0.542 20 0 EBADHO CN(CCNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1)S(C)(=O)=O ZINC001484662224 1126614963 /nfs/dbraw/zinc/61/49/63/1126614963.db2.gz CMDAOZINDYGZAE-ZDUSSCGKSA-N 1 3 346.497 -0.542 20 0 EBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001484680602 1126616093 /nfs/dbraw/zinc/61/60/93/1126616093.db2.gz OIFFOEBCYPLJQE-ZIAGYGMSSA-N 1 3 341.456 -0.831 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC(O)(CNCc2cnnn2C)CC1 ZINC001484963707 1126657152 /nfs/dbraw/zinc/65/71/52/1126657152.db2.gz SQIAYGIOAHFIIZ-UHFFFAOYSA-N 1 3 338.456 -0.400 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNCc2cnnn2C)CC1 ZINC001484963707 1126657153 /nfs/dbraw/zinc/65/71/53/1126657153.db2.gz SQIAYGIOAHFIIZ-UHFFFAOYSA-N 1 3 338.456 -0.400 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484959452 1126659093 /nfs/dbraw/zinc/65/90/93/1126659093.db2.gz PNFUFBZUIWUIAM-UHFFFAOYSA-N 1 3 340.468 -0.593 20 0 EBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001485927566 1126917292 /nfs/dbraw/zinc/91/72/92/1126917292.db2.gz PZAQIYHMWMDROF-VXGBXAGGSA-N 1 3 328.438 -0.177 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001485929587 1126922499 /nfs/dbraw/zinc/92/24/99/1126922499.db2.gz ADNPFMZHQCYHHZ-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001486092224 1127031337 /nfs/dbraw/zinc/03/13/37/1127031337.db2.gz MTBHURYIGDSNFM-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001486093759 1127031513 /nfs/dbraw/zinc/03/15/13/1127031513.db2.gz ZVZZSAFCFNOSKR-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001486093759 1127031516 /nfs/dbraw/zinc/03/15/16/1127031516.db2.gz ZVZZSAFCFNOSKR-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486127103 1127049385 /nfs/dbraw/zinc/04/93/85/1127049385.db2.gz HKALKHBPZHDYQC-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486247209 1127066465 /nfs/dbraw/zinc/06/64/65/1127066465.db2.gz AANBWONPBOAXMM-NSHDSACASA-N 1 3 327.429 -0.650 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486247209 1127066468 /nfs/dbraw/zinc/06/64/68/1127066468.db2.gz AANBWONPBOAXMM-NSHDSACASA-N 1 3 327.429 -0.650 20 0 EBADHO Cc1ncc(CNC[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001486311457 1127124138 /nfs/dbraw/zinc/12/41/38/1127124138.db2.gz IWEUCSQYYCHHGT-OAHLLOKOSA-N 1 3 333.436 -0.210 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001410077611 1127543759 /nfs/dbraw/zinc/54/37/59/1127543759.db2.gz PTNXGFAGFMUDAX-XQLPTFJDSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001410077611 1127543762 /nfs/dbraw/zinc/54/37/62/1127543762.db2.gz PTNXGFAGFMUDAX-XQLPTFJDSA-N 1 3 334.464 -0.005 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432638 1127713197 /nfs/dbraw/zinc/71/31/97/1127713197.db2.gz IIRSSHALRILRFP-OLZOCXBDSA-N 1 3 343.472 -0.003 20 0 EBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001410505206 1127730710 /nfs/dbraw/zinc/73/07/10/1127730710.db2.gz NFUAQJJMKSRPKI-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001410709045 1127832033 /nfs/dbraw/zinc/83/20/33/1127832033.db2.gz QSLWKLAEQIAXCZ-CQSZACIVSA-N 1 3 337.468 -0.096 20 0 EBADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001410984585 1127960873 /nfs/dbraw/zinc/96/08/73/1127960873.db2.gz MQSLAAVVEQZDEE-LLVKDONJSA-N 1 3 327.429 -0.650 20 0 EBADHO CN(CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001488000235 1128536730 /nfs/dbraw/zinc/53/67/30/1128536730.db2.gz ODMZLFOVYPOTMY-OLZOCXBDSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001488000235 1128536734 /nfs/dbraw/zinc/53/67/34/1128536734.db2.gz ODMZLFOVYPOTMY-OLZOCXBDSA-N 1 3 326.441 -0.984 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001489014512 1128898780 /nfs/dbraw/zinc/89/87/80/1128898780.db2.gz BMTSIPAGHDNKBI-ZIAGYGMSSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](CCO)CCCO)C2)C1 ZINC001489171612 1128916703 /nfs/dbraw/zinc/91/67/03/1128916703.db2.gz ZMRGKFCLRDQHRI-JKSUJKDBSA-N 1 3 327.469 -0.004 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](CCO)CCCO)C2)C1 ZINC001489171612 1128916707 /nfs/dbraw/zinc/91/67/07/1128916707.db2.gz ZMRGKFCLRDQHRI-JKSUJKDBSA-N 1 3 327.469 -0.004 20 0 EBADHO CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001489521933 1128992983 /nfs/dbraw/zinc/99/29/83/1128992983.db2.gz CSTARQSXJWEBKE-RRFJBIMHSA-N 1 3 340.468 -0.380 20 0 EBADHO CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001489521933 1128992989 /nfs/dbraw/zinc/99/29/89/1128992989.db2.gz CSTARQSXJWEBKE-RRFJBIMHSA-N 1 3 340.468 -0.380 20 0 EBADHO C[C@@H](NCC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305363 1129160194 /nfs/dbraw/zinc/16/01/94/1129160194.db2.gz GFUCACAHAOUBLK-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337824 1130026340 /nfs/dbraw/zinc/02/63/40/1130026340.db2.gz QMIOQEAUNUGWOA-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001413359192 1130045563 /nfs/dbraw/zinc/04/55/63/1130045563.db2.gz YSRHXTSBWFLUOU-RBSFLKMASA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001413359192 1130045569 /nfs/dbraw/zinc/04/55/69/1130045569.db2.gz YSRHXTSBWFLUOU-RBSFLKMASA-N 1 3 342.484 -0.396 20 0 EBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)C1CCC1 ZINC001490898287 1130229726 /nfs/dbraw/zinc/22/97/26/1130229726.db2.gz YOEHGIKFMZCBEK-JOCQHMNTSA-N 1 3 346.497 -0.401 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001491023883 1130294763 /nfs/dbraw/zinc/29/47/63/1130294763.db2.gz WCHNWFVVPYXYQJ-QNWHQSFQSA-N 1 3 342.415 -0.292 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001491056200 1130309172 /nfs/dbraw/zinc/30/91/72/1130309172.db2.gz VNJZUKAFNQCDDU-MELADBBJSA-N 1 3 331.482 0.000 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477832 1130462085 /nfs/dbraw/zinc/46/20/85/1130462085.db2.gz MORAGPRRUSCTNK-DGCLKSJQSA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC(N)=O ZINC001491477832 1130462089 /nfs/dbraw/zinc/46/20/89/1130462089.db2.gz MORAGPRRUSCTNK-DGCLKSJQSA-N 1 3 339.440 -0.317 20 0 EBADHO COC[C@H]1CNCCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001357166889 1131056032 /nfs/dbraw/zinc/05/60/32/1131056032.db2.gz QBSDQDLSYMGWDC-OAHLLOKOSA-N 1 3 327.473 -0.356 20 0 EBADHO CN(C)CC(=O)N1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC001362039355 1131502354 /nfs/dbraw/zinc/50/23/54/1131502354.db2.gz MTJVEFALAVKXTG-UHFFFAOYSA-N 1 3 333.436 -0.011 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001364449141 1132320553 /nfs/dbraw/zinc/32/05/53/1132320553.db2.gz RCNMLMMAMAIVIS-CHWSQXEVSA-N 1 3 331.482 -0.239 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001365820659 1132818406 /nfs/dbraw/zinc/81/84/06/1132818406.db2.gz NQUSTWPQQHAXHD-XQQFMLRXSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001365892943 1132870194 /nfs/dbraw/zinc/87/01/94/1132870194.db2.gz VWQYGFQWGLRUNO-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001366151227 1133028713 /nfs/dbraw/zinc/02/87/13/1133028713.db2.gz RHSWFDHQWUPOJI-RFQIPJPRSA-N 1 3 331.482 -0.002 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001366151227 1133028718 /nfs/dbraw/zinc/02/87/18/1133028718.db2.gz RHSWFDHQWUPOJI-RFQIPJPRSA-N 1 3 331.482 -0.002 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366171702 1133038511 /nfs/dbraw/zinc/03/85/11/1133038511.db2.gz LGMDSPPXLDGOAX-RVMXOQNASA-N 1 3 339.440 -0.319 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001366173016 1133039672 /nfs/dbraw/zinc/03/96/72/1133039672.db2.gz SHUCWTWTICWKFI-XGUBFFRZSA-N 1 3 340.468 -0.453 20 0 EBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCOCC1 ZINC001366324033 1133099601 /nfs/dbraw/zinc/09/96/01/1133099601.db2.gz OITYFEQPGSNZMA-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583432 1133197358 /nfs/dbraw/zinc/19/73/58/1133197358.db2.gz LZGCLJQYEFSCQK-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583432 1133197360 /nfs/dbraw/zinc/19/73/60/1133197360.db2.gz LZGCLJQYEFSCQK-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133737 1133485100 /nfs/dbraw/zinc/48/51/00/1133485100.db2.gz FSFVQAOPCGQCCH-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCOCC1 ZINC001367133737 1133485104 /nfs/dbraw/zinc/48/51/04/1133485104.db2.gz FSFVQAOPCGQCCH-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001367203906 1133500377 /nfs/dbraw/zinc/50/03/77/1133500377.db2.gz YERRJDGNWUNGFK-YRGRVCCFSA-N 1 3 341.456 -0.216 20 0 EBADHO CN(CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCC1)C1CCC1 ZINC001367317072 1133549316 /nfs/dbraw/zinc/54/93/16/1133549316.db2.gz HJFDUXINVJDWEG-UHFFFAOYSA-N 1 3 339.440 -0.316 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)N(C)C ZINC001367496843 1133603899 /nfs/dbraw/zinc/60/38/99/1133603899.db2.gz XNBITLJXVOHISY-RYUDHWBXSA-N 1 3 329.445 -0.487 20 0 EBADHO CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001367579200 1133647071 /nfs/dbraw/zinc/64/70/71/1133647071.db2.gz JHVZGGIQYUWOPH-OLZOCXBDSA-N 1 3 328.457 -0.419 20 0 EBADHO COc1ccc(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001367615490 1133696271 /nfs/dbraw/zinc/69/62/71/1133696271.db2.gz BZGBJDXAYSPLRD-CQSZACIVSA-N 1 3 334.420 -0.247 20 0 EBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622053 1133706919 /nfs/dbraw/zinc/70/69/19/1133706919.db2.gz TYDVZCLZPSHZMZ-MLGOLLRUSA-N 1 3 346.447 -0.598 20 0 EBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001367622053 1133706926 /nfs/dbraw/zinc/70/69/26/1133706926.db2.gz TYDVZCLZPSHZMZ-MLGOLLRUSA-N 1 3 346.447 -0.598 20 0 EBADHO CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC)C(=O)[C@H]1CCCN1C ZINC001367662839 1133735802 /nfs/dbraw/zinc/73/58/02/1133735802.db2.gz TUGBHKDVAFRQSA-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001367709298 1133755329 /nfs/dbraw/zinc/75/53/29/1133755329.db2.gz SVYONIIKDXCCCY-RISCZKNCSA-N 1 3 341.456 -0.345 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367754474 1133772233 /nfs/dbraw/zinc/77/22/33/1133772233.db2.gz WIQAEKKLUKNHBZ-NSHDSACASA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H]1CN(C(=O)CNC[C@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111296 1133943546 /nfs/dbraw/zinc/94/35/46/1133943546.db2.gz VHERMXXPORXDQP-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(C[C@H](O)CN2CCCC2=O)C1 ZINC001368162955 1133972853 /nfs/dbraw/zinc/97/28/53/1133972853.db2.gz POADKEKIRBRNRY-WMLDXEAASA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368332343 1134153247 /nfs/dbraw/zinc/15/32/47/1134153247.db2.gz HUDKMZDXKVMKKI-VXGBXAGGSA-N 1 3 328.438 -0.177 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001368489447 1134250566 /nfs/dbraw/zinc/25/05/66/1134250566.db2.gz PFGQCNKOCRNCIW-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H](CN[C@H](C)C(=O)NC)C1 ZINC001368515871 1134267844 /nfs/dbraw/zinc/26/78/44/1134267844.db2.gz WAOGTNUFINOEGL-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H](CN[C@H](C)C(=O)NC)C1 ZINC001368515871 1134267848 /nfs/dbraw/zinc/26/78/48/1134267848.db2.gz WAOGTNUFINOEGL-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCC(=O)N(C)C2CC2)C1 ZINC001368518188 1134269700 /nfs/dbraw/zinc/26/97/00/1134269700.db2.gz ZUJWCXLKTKHXDW-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCC(=O)N(C)C2CC2)C1 ZINC001368518188 1134269707 /nfs/dbraw/zinc/26/97/07/1134269707.db2.gz ZUJWCXLKTKHXDW-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001368595262 1134313023 /nfs/dbraw/zinc/31/30/23/1134313023.db2.gz ZNKFNOVLMMCWPL-CYDGBPFRSA-N 1 3 341.456 -0.345 20 0 EBADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001368605213 1134318516 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MFAWDCUIVRJVNN-VXGBXAGGSA-N 1 3 339.440 -0.460 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158401 1134599635 /nfs/dbraw/zinc/59/96/35/1134599635.db2.gz JGKQQNGYNPBYIO-KBPBESRZSA-N 1 3 338.452 -0.447 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001369191799 1134612880 /nfs/dbraw/zinc/61/28/80/1134612880.db2.gz RASZTLAAGHVRLC-LBPRGKRZSA-N 1 3 341.456 -0.166 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001369191799 1134612885 /nfs/dbraw/zinc/61/28/85/1134612885.db2.gz RASZTLAAGHVRLC-LBPRGKRZSA-N 1 3 341.456 -0.166 20 0 EBADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241823 1134626773 /nfs/dbraw/zinc/62/67/73/1134626773.db2.gz VMUXBPMOIGWWGE-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001369248763 1134629271 /nfs/dbraw/zinc/62/92/71/1134629271.db2.gz BSDUKFPNERLVMX-MNOVXSKESA-N 1 3 327.429 -0.509 20 0 EBADHO Cn1ccc(CN[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1=O ZINC001369351090 1134700743 /nfs/dbraw/zinc/70/07/43/1134700743.db2.gz SPJRLAOOMFNMKB-OAHLLOKOSA-N 1 3 336.436 -0.706 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369376145 1134733927 /nfs/dbraw/zinc/73/39/27/1134733927.db2.gz RGGXXPPDXQWKQW-ZIAGYGMSSA-N 1 3 328.457 -0.690 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001369376868 1134735484 /nfs/dbraw/zinc/73/54/84/1134735484.db2.gz XQEHXEWMIMADFS-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(=O)NC)C[C@H]1C ZINC001369409326 1134766886 /nfs/dbraw/zinc/76/68/86/1134766886.db2.gz VZEDUPYFTAIQNF-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(=O)NC)C[C@H]1C ZINC001369409326 1134766892 /nfs/dbraw/zinc/76/68/92/1134766892.db2.gz VZEDUPYFTAIQNF-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNCc1ccnn1C)[NH+](C)C ZINC001369479321 1134842194 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AUNJTDIFLYIEQI-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1O ZINC001371462424 1135923478 /nfs/dbraw/zinc/92/34/78/1135923478.db2.gz WPLREYOMVLTTPN-KBUPBQIOSA-N 1 3 340.468 -0.645 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1O ZINC001371462424 1135923479 /nfs/dbraw/zinc/92/34/79/1135923479.db2.gz WPLREYOMVLTTPN-KBUPBQIOSA-N 1 3 340.468 -0.645 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001371477820 1135932735 /nfs/dbraw/zinc/93/27/35/1135932735.db2.gz OLVZLEGJPAELBM-IIAWOOMASA-N 1 3 342.484 -0.398 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001371533827 1135957594 /nfs/dbraw/zinc/95/75/94/1135957594.db2.gz BAWAXWZKPHSCMI-ZNMIVQPWSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001371533827 1135957596 /nfs/dbraw/zinc/95/75/96/1135957596.db2.gz BAWAXWZKPHSCMI-ZNMIVQPWSA-N 1 3 340.468 -0.642 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533467 1135957691 /nfs/dbraw/zinc/95/76/91/1135957691.db2.gz YOLHFOUXKLJPOZ-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001372936681 1136331290 /nfs/dbraw/zinc/33/12/90/1136331290.db2.gz DXDFJPDYVCZKSA-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001372936681 1136331293 /nfs/dbraw/zinc/33/12/93/1136331293.db2.gz DXDFJPDYVCZKSA-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787880 1136560701 /nfs/dbraw/zinc/56/07/01/1136560701.db2.gz GOKDTWUNKPWISY-QWHCGFSZSA-N 1 3 341.456 -0.212 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787880 1136560704 /nfs/dbraw/zinc/56/07/04/1136560704.db2.gz GOKDTWUNKPWISY-QWHCGFSZSA-N 1 3 341.456 -0.212 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889118 1136581312 /nfs/dbraw/zinc/58/13/12/1136581312.db2.gz NHSUCTWIYAOBLD-BZNIZROVSA-N 1 3 339.440 -0.602 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC[C@H]1CCCO1 ZINC001373966382 1136594991 /nfs/dbraw/zinc/59/49/91/1136594991.db2.gz LOYRNJBKRLSKFH-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001374231468 1136653732 /nfs/dbraw/zinc/65/37/32/1136653732.db2.gz FJBCNGBSZFBJTO-NEPJUHHUSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001374354840 1136677781 /nfs/dbraw/zinc/67/77/81/1136677781.db2.gz TVAMVYZJOCVOJB-OLZOCXBDSA-N 1 3 341.456 -0.356 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374383305 1136680954 /nfs/dbraw/zinc/68/09/54/1136680954.db2.gz JMUMPARYAFDRCN-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374667144 1136787874 /nfs/dbraw/zinc/78/78/74/1136787874.db2.gz BAUFOPGNCJJZQT-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374667144 1136787876 /nfs/dbraw/zinc/78/78/76/1136787876.db2.gz BAUFOPGNCJJZQT-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687156 1136802663 /nfs/dbraw/zinc/80/26/63/1136802663.db2.gz ZJISQFBUYOALQF-GJZGRUSLSA-N 1 3 349.431 -0.024 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687156 1136802669 /nfs/dbraw/zinc/80/26/69/1136802669.db2.gz ZJISQFBUYOALQF-GJZGRUSLSA-N 1 3 349.431 -0.024 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001374820065 1136841652 /nfs/dbraw/zinc/84/16/52/1136841652.db2.gz SECAPLFUDPQFJL-CHWSQXEVSA-N 1 3 338.456 -0.371 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001374820066 1136841747 /nfs/dbraw/zinc/84/17/47/1136841747.db2.gz SECAPLFUDPQFJL-OLZOCXBDSA-N 1 3 338.456 -0.371 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001374905970 1136870282 /nfs/dbraw/zinc/87/02/82/1136870282.db2.gz NNELIFBOKXPZEK-MELADBBJSA-N 1 3 348.513 -0.298 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000332008091 282122544 /nfs/dbraw/zinc/12/25/44/282122544.db2.gz CXNBMLCYMWIOHT-QLFBSQMISA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000332008091 282122545 /nfs/dbraw/zinc/12/25/45/282122545.db2.gz CXNBMLCYMWIOHT-QLFBSQMISA-N 1 3 338.452 -0.482 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643545228 375891877 /nfs/dbraw/zinc/89/18/77/375891877.db2.gz PQWKKBQNMMKVIH-APIJFGDWSA-N 1 3 338.452 -0.354 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCSC1 ZINC000642768866 376088140 /nfs/dbraw/zinc/08/81/40/376088140.db2.gz MXEMNAXYHRFHSX-JFILPPLUSA-N 1 3 340.493 -0.264 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785922 376144124 /nfs/dbraw/zinc/14/41/24/376144124.db2.gz QRYLAMDJXVTDRK-YUTCNCBUSA-N 1 3 338.452 -0.184 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785922 376144129 /nfs/dbraw/zinc/14/41/29/376144129.db2.gz QRYLAMDJXVTDRK-YUTCNCBUSA-N 1 3 338.452 -0.184 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000625465234 376232616 /nfs/dbraw/zinc/23/26/16/376232616.db2.gz FYDHSQUDKJUAJB-CQSZACIVSA-N 1 3 346.447 -0.475 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000642914849 376730171 /nfs/dbraw/zinc/73/01/71/376730171.db2.gz ONVDYDSGRWTRPT-CABCVRRESA-N 1 3 337.468 -0.907 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000642924568 376765980 /nfs/dbraw/zinc/76/59/80/376765980.db2.gz DDNOAKVNDNQBFR-KBPBESRZSA-N 1 3 337.468 -0.909 20 0 EBADHO COCCNCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564724707 376898045 /nfs/dbraw/zinc/89/80/45/376898045.db2.gz AXOWAJYABXWJLQ-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO COCCNCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564724709 376898581 /nfs/dbraw/zinc/89/85/81/376898581.db2.gz AXOWAJYABXWJLQ-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000561850311 376884506 /nfs/dbraw/zinc/88/45/06/376884506.db2.gz NIOGICFSTSWNRZ-CYBMUJFWSA-N 1 3 338.456 -0.451 20 0 EBADHO C[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)N1CC(C)C1 ZINC000570581232 377256390 /nfs/dbraw/zinc/25/63/90/377256390.db2.gz FBWQUIYXIKXZND-INIZCTEOSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@@H+]1C ZINC000572790740 377291786 /nfs/dbraw/zinc/29/17/86/377291786.db2.gz LLIFKSRTOYOFEH-CABCVRRESA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@H+]1C ZINC000572790740 377291791 /nfs/dbraw/zinc/29/17/91/377291791.db2.gz LLIFKSRTOYOFEH-CABCVRRESA-N 1 3 341.500 -0.463 20 0 EBADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735940 377910904 /nfs/dbraw/zinc/91/09/04/377910904.db2.gz AIRMZZYNFWMMHF-MELADBBJSA-N 1 3 327.425 -0.116 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)S(C)(=O)=O ZINC000338083606 378735509 /nfs/dbraw/zinc/73/55/09/378735509.db2.gz HXYPJOQQQXDFBG-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)S(C)(=O)=O ZINC000338083606 378735510 /nfs/dbraw/zinc/73/55/10/378735510.db2.gz HXYPJOQQQXDFBG-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000629787033 379131466 /nfs/dbraw/zinc/13/14/66/379131466.db2.gz OWQHUSKKIWAQAR-UHFFFAOYSA-N 1 3 349.435 -0.575 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000629819003 379160116 /nfs/dbraw/zinc/16/01/16/379160116.db2.gz HSWZHEYRGMXERD-INIZCTEOSA-N 1 3 326.441 -0.636 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000629797426 379139972 /nfs/dbraw/zinc/13/99/72/379139972.db2.gz XQXMRAFNNKULSA-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000627296882 379143132 /nfs/dbraw/zinc/14/31/32/379143132.db2.gz VZSDHZTYLJXYHB-QLFBSQMISA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CCC([NH2+]C(C)C)CC2)n1 ZINC000340013403 379146324 /nfs/dbraw/zinc/14/63/24/379146324.db2.gz FXWRNDBZCLXZHA-UHFFFAOYSA-N 1 3 337.472 -0.093 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796491 379146564 /nfs/dbraw/zinc/14/65/64/379146564.db2.gz RBANQQVFENGETQ-CALCHBBNSA-N 1 3 340.468 -0.519 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803206 379148861 /nfs/dbraw/zinc/14/88/61/379148861.db2.gz RPRONMCOKMTICF-KGLIPLIRSA-N 1 3 326.441 -0.495 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000627312172 379302853 /nfs/dbraw/zinc/30/28/53/379302853.db2.gz RFOHKULDTOLADA-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000627312110 379303935 /nfs/dbraw/zinc/30/39/35/379303935.db2.gz PQTSSGMEONMTCG-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312323 379304922 /nfs/dbraw/zinc/30/49/22/379304922.db2.gz WICZWNNGFDQPFB-QLFBSQMISA-N 1 3 342.484 -0.049 20 0 EBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312115 379305035 /nfs/dbraw/zinc/30/50/35/379305035.db2.gz PTCROBQSRXCZNG-UONOGXRCSA-N 1 3 328.457 -0.295 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCOCC[NH+](C)C ZINC000471643385 379375352 /nfs/dbraw/zinc/37/53/52/379375352.db2.gz HTRITXVTGYQWHA-HNNXBMFYSA-N 1 3 329.489 -0.110 20 0 EBADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CNCCO1 ZINC000269313267 379360647 /nfs/dbraw/zinc/36/06/47/379360647.db2.gz XUUGJVJFFAUQTO-MRXNPFEDSA-N 1 3 333.436 -0.302 20 0 EBADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](N)CC(N)=O)cc2)CC1 ZINC000269715364 379398358 /nfs/dbraw/zinc/39/83/58/379398358.db2.gz OSFUICVCSWKBAZ-INIZCTEOSA-N 1 3 347.463 -0.357 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)C[NH2+]1 ZINC000627483869 379454774 /nfs/dbraw/zinc/45/47/74/379454774.db2.gz MOUAKYYHIGAGGI-KBPBESRZSA-N 1 3 327.473 -0.805 20 0 EBADHO Nc1nc(N)nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000624280374 379535780 /nfs/dbraw/zinc/53/57/80/379535780.db2.gz DVELIOWAINDYJU-UHFFFAOYSA-N 1 3 329.408 -0.442 20 0 EBADHO CO[C@@H]1CN(CCOCC[NH+]2C[C@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488036761 379509142 /nfs/dbraw/zinc/50/91/42/379509142.db2.gz SQZFZCGNEGYIDJ-YHUYYLMFSA-N 1 3 332.441 -0.306 20 0 EBADHO CO[C@@H]1C[N@@H+](CCOCCN2C[C@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488036761 379509150 /nfs/dbraw/zinc/50/91/50/379509150.db2.gz SQZFZCGNEGYIDJ-YHUYYLMFSA-N 1 3 332.441 -0.306 20 0 EBADHO CO[C@@H]1C[N@H+](CCOCCN2C[C@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488036761 379509158 /nfs/dbraw/zinc/50/91/58/379509158.db2.gz SQZFZCGNEGYIDJ-YHUYYLMFSA-N 1 3 332.441 -0.306 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000627398632 379582468 /nfs/dbraw/zinc/58/24/68/379582468.db2.gz RTAKLDBCVLVULT-QLFBSQMISA-N 1 3 339.484 -0.757 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627425332 379591934 /nfs/dbraw/zinc/59/19/34/379591934.db2.gz MOFDIQNDKRNXRE-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000627427715 379592120 /nfs/dbraw/zinc/59/21/20/379592120.db2.gz MCGDNIPQOUXLDC-CQSZACIVSA-N 1 3 340.468 -0.009 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627425102 379593000 /nfs/dbraw/zinc/59/30/00/379593000.db2.gz FDFFHEQXXSVBFD-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000627371250 379572658 /nfs/dbraw/zinc/57/26/58/379572658.db2.gz ZDPPSPDAWPNARS-YWPYICTPSA-N 1 3 328.482 -0.203 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)C[NH2+]1 ZINC000627480022 379630074 /nfs/dbraw/zinc/63/00/74/379630074.db2.gz KCTOQDPCYJKQGB-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[NH2+]1 ZINC000627483782 379631125 /nfs/dbraw/zinc/63/11/25/379631125.db2.gz LBCGHIRMEBZORP-LSDHHAIUSA-N 1 3 339.484 -0.661 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000627484802 379634320 /nfs/dbraw/zinc/63/43/20/379634320.db2.gz JIXNGHSOGOVOEO-HNNXBMFYSA-N 1 3 340.468 -0.055 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000627502246 379646325 /nfs/dbraw/zinc/64/63/25/379646325.db2.gz PGWQTIWVLCLZRO-BFHYXJOUSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCC[C@H](C)C1 ZINC000627455303 379605567 /nfs/dbraw/zinc/60/55/67/379605567.db2.gz RNSXBDMIYWLFSR-KBPBESRZSA-N 1 3 340.468 -0.153 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000627461495 379609829 /nfs/dbraw/zinc/60/98/29/379609829.db2.gz RFRZKSANCBTWSG-OKILXGFUSA-N 1 3 328.457 -0.282 20 0 EBADHO O=S(=O)(C[C@@H]1CNCCO1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000631962255 379793585 /nfs/dbraw/zinc/79/35/85/379793585.db2.gz LGBIOQZRAVDOMT-HNNXBMFYSA-N 1 3 347.481 -0.509 20 0 EBADHO O=S(=O)(C[C@@H]1CNCCO1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000631962255 379793589 /nfs/dbraw/zinc/79/35/89/379793589.db2.gz LGBIOQZRAVDOMT-HNNXBMFYSA-N 1 3 347.481 -0.509 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000626986617 379773221 /nfs/dbraw/zinc/77/32/21/379773221.db2.gz KWGDVLSPLLRTMI-OAHLLOKOSA-N 1 3 329.489 -0.253 20 0 EBADHO CC[C@@]1(O)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000632487882 379868559 /nfs/dbraw/zinc/86/85/59/379868559.db2.gz XYIHXVSMZWXKGQ-QGZVFWFLSA-N 1 3 342.484 -0.298 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@H]1N1CCN(C)CC1 ZINC000633102155 379938271 /nfs/dbraw/zinc/93/82/71/379938271.db2.gz RBAXBKGKIAGMSY-YHUYYLMFSA-N 1 3 349.479 -0.957 20 0 EBADHO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1=O ZINC000633106198 379940191 /nfs/dbraw/zinc/94/01/91/379940191.db2.gz LONQZPSLQPBXTG-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1=O ZINC000633106198 379940197 /nfs/dbraw/zinc/94/01/97/379940197.db2.gz LONQZPSLQPBXTG-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000614855293 380000030 /nfs/dbraw/zinc/00/00/30/380000030.db2.gz XAXVKNSBYUQCGN-QLFBSQMISA-N 1 3 340.468 -0.642 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000614855293 380000035 /nfs/dbraw/zinc/00/00/35/380000035.db2.gz XAXVKNSBYUQCGN-QLFBSQMISA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CN1CCN(C)CC1 ZINC000128577905 380001039 /nfs/dbraw/zinc/00/10/39/380001039.db2.gz MBEMLNBGKMXUPB-GOEBONIOSA-N 1 3 329.489 -0.518 20 0 EBADHO C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000546591409 380115774 /nfs/dbraw/zinc/11/57/74/380115774.db2.gz BXNGNSOXJZBMRN-GDBMZVCRSA-N 1 3 327.473 -0.764 20 0 EBADHO C[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000546591409 380115779 /nfs/dbraw/zinc/11/57/79/380115779.db2.gz BXNGNSOXJZBMRN-GDBMZVCRSA-N 1 3 327.473 -0.764 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000546861738 380124430 /nfs/dbraw/zinc/12/44/30/380124430.db2.gz JLHWLLBXRXMUGO-UHFFFAOYSA-N 1 3 338.456 -0.120 20 0 EBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000638096828 380128716 /nfs/dbraw/zinc/12/87/16/380128716.db2.gz NELQXVWCZBIBQT-ZQIUZPCESA-N 1 3 340.468 -0.188 20 0 EBADHO COCCOCCN(C)CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226108 380293317 /nfs/dbraw/zinc/29/33/17/380293317.db2.gz CYGTYIHBOMFUQY-MRXNPFEDSA-N 1 3 342.484 -0.523 20 0 EBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226420 380293827 /nfs/dbraw/zinc/29/38/27/380293827.db2.gz GFRFHAUBNLGDQD-QZTJIDSGSA-N 1 3 345.491 -0.048 20 0 EBADHO CCO[C@H]1C[C@](N)(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538417 380424456 /nfs/dbraw/zinc/42/44/56/380424456.db2.gz SRWXIXVPIKXAKO-BONVTDFDSA-N 1 3 337.428 -0.315 20 0 EBADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)CN2CCOCC2)ccn1 ZINC000565652363 380427935 /nfs/dbraw/zinc/42/79/35/380427935.db2.gz KHMCMYLZNRWUSH-MRXNPFEDSA-N 1 3 338.452 -0.195 20 0 EBADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000565793351 380433623 /nfs/dbraw/zinc/43/36/23/380433623.db2.gz PKFFZXNGJRHPMV-UHFFFAOYSA-N 1 3 337.424 -0.020 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000566179251 380451423 /nfs/dbraw/zinc/45/14/23/380451423.db2.gz SKMCINGDXIHAKR-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCN1CCN(CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000362565445 380411168 /nfs/dbraw/zinc/41/11/68/380411168.db2.gz UHVXZRVNDAEPRQ-OAHLLOKOSA-N 1 3 349.483 -0.040 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249813 380411619 /nfs/dbraw/zinc/41/16/19/380411619.db2.gz JHIWIYWUSMRALB-HUUCEWRRSA-N 1 3 335.452 -0.186 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287554 380593854 /nfs/dbraw/zinc/59/38/54/380593854.db2.gz CNNRVVFXFVCCOH-DVUXXLOYSA-N 1 3 335.452 -0.154 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000573268220 380667292 /nfs/dbraw/zinc/66/72/92/380667292.db2.gz SMACDWAVBXWMCF-QLFBSQMISA-N 1 3 337.468 -0.082 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000573268220 380667295 /nfs/dbraw/zinc/66/72/95/380667295.db2.gz SMACDWAVBXWMCF-QLFBSQMISA-N 1 3 337.468 -0.082 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000573268219 380667661 /nfs/dbraw/zinc/66/76/61/380667661.db2.gz SMACDWAVBXWMCF-KFWWJZLASA-N 1 3 337.468 -0.082 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000573268219 380667665 /nfs/dbraw/zinc/66/76/65/380667665.db2.gz SMACDWAVBXWMCF-KFWWJZLASA-N 1 3 337.468 -0.082 20 0 EBADHO CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573386833 380671182 /nfs/dbraw/zinc/67/11/82/380671182.db2.gz QJUWFUKTMMYDKU-OLZOCXBDSA-N 1 3 328.482 -0.168 20 0 EBADHO CN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341154163 380672726 /nfs/dbraw/zinc/67/27/26/380672726.db2.gz DQOZATOGIIOTEU-KGLIPLIRSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341154163 380672735 /nfs/dbraw/zinc/67/27/35/380672735.db2.gz DQOZATOGIIOTEU-KGLIPLIRSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000576331141 380766400 /nfs/dbraw/zinc/76/64/00/380766400.db2.gz OCJPVIMLTBIPHX-OAHLLOKOSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000574813125 380724828 /nfs/dbraw/zinc/72/48/28/380724828.db2.gz QSPKGJZIHXFYAZ-UONOGXRCSA-N 1 3 340.468 -0.010 20 0 EBADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000575330616 380737573 /nfs/dbraw/zinc/73/75/73/380737573.db2.gz ALYNNPFEXKZIAA-LSDHHAIUSA-N 1 3 337.468 -0.781 20 0 EBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)C[C@H](C)O1 ZINC000576823884 380787233 /nfs/dbraw/zinc/78/72/33/380787233.db2.gz WFPHWUFGIBDDCR-VVLHAWIVSA-N 1 3 329.485 -0.107 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccncc1 ZINC000577266223 380813067 /nfs/dbraw/zinc/81/30/67/380813067.db2.gz HNFXKYRFXOCGLZ-UHFFFAOYSA-N 1 3 335.452 -0.008 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000578005257 380870649 /nfs/dbraw/zinc/87/06/49/380870649.db2.gz XEIIRLSKRIXFJI-HUUCEWRRSA-N 1 3 337.468 -0.826 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417431643 380886183 /nfs/dbraw/zinc/88/61/83/380886183.db2.gz RJVOGXHKHSCQGV-UONOGXRCSA-N 1 3 325.457 -0.034 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417431641 380886541 /nfs/dbraw/zinc/88/65/41/380886541.db2.gz RJVOGXHKHSCQGV-KGLIPLIRSA-N 1 3 325.457 -0.034 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000376107002 380891300 /nfs/dbraw/zinc/89/13/00/380891300.db2.gz OHTZLGUWKOOESY-STQMWFEESA-N 1 3 335.456 -0.600 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000376107002 380891302 /nfs/dbraw/zinc/89/13/02/380891302.db2.gz OHTZLGUWKOOESY-STQMWFEESA-N 1 3 335.456 -0.600 20 0 EBADHO COc1ccncc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000579311046 380981826 /nfs/dbraw/zinc/98/18/26/380981826.db2.gz LVROGHZSWNXJKW-UHFFFAOYSA-N 1 3 337.424 -0.020 20 0 EBADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579497428 380993427 /nfs/dbraw/zinc/99/34/27/380993427.db2.gz DTBZHFSBVKANAG-MGPQQGTHSA-N 1 3 339.440 -0.949 20 0 EBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579497428 380993430 /nfs/dbraw/zinc/99/34/30/380993430.db2.gz DTBZHFSBVKANAG-MGPQQGTHSA-N 1 3 339.440 -0.949 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@H](CN)C1 ZINC000580768545 381032990 /nfs/dbraw/zinc/03/29/90/381032990.db2.gz RTPTYSRGAGBXPR-RRFJBIMHSA-N 1 3 337.468 -0.970 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[C@H](CN)C1 ZINC000580768545 381033000 /nfs/dbraw/zinc/03/30/00/381033000.db2.gz RTPTYSRGAGBXPR-RRFJBIMHSA-N 1 3 337.468 -0.970 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000617507702 381036847 /nfs/dbraw/zinc/03/68/47/381036847.db2.gz GKCRGRFOJBFBGF-QWHCGFSZSA-N 1 3 337.472 -0.401 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000617507702 381036852 /nfs/dbraw/zinc/03/68/52/381036852.db2.gz GKCRGRFOJBFBGF-QWHCGFSZSA-N 1 3 337.472 -0.401 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1CSCCN1 ZINC000193706807 381042226 /nfs/dbraw/zinc/04/22/26/381042226.db2.gz MFAKMIFCPRYSDD-OLZOCXBDSA-N 1 3 328.482 -0.072 20 0 EBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000583861994 381169006 /nfs/dbraw/zinc/16/90/06/381169006.db2.gz KDLSFCIMPCEIFE-ILXRZTDVSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418619012 381252442 /nfs/dbraw/zinc/25/24/42/381252442.db2.gz OKARFHNMSKHBID-ZFWWWQNUSA-N 1 3 335.452 -0.078 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418497630 381243499 /nfs/dbraw/zinc/24/34/99/381243499.db2.gz KKTNAFQESNDKDK-CQSZACIVSA-N 1 3 325.457 -0.081 20 0 EBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418883124 381330000 /nfs/dbraw/zinc/33/00/00/381330000.db2.gz ZUTHBDGQJZMYOM-HOTGVXAUSA-N 1 3 348.447 -0.538 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418883585 381331113 /nfs/dbraw/zinc/33/11/13/381331113.db2.gz VEZOCLFUCKMXMZ-RBSFLKMASA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000418881066 381331464 /nfs/dbraw/zinc/33/14/64/381331464.db2.gz WRIIYXXXUPQASB-OAHLLOKOSA-N 1 3 336.436 -0.945 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)N(C)Cc1ccccc1 ZINC000418953799 381350171 /nfs/dbraw/zinc/35/01/71/381350171.db2.gz VPHFCUYSYBTOND-GOEBONIOSA-N 1 3 348.447 -0.272 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418955644 381350564 /nfs/dbraw/zinc/35/05/64/381350564.db2.gz YDNGYBADGAFTRG-HOCLYGCPSA-N 1 3 348.447 -0.191 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033173 381358285 /nfs/dbraw/zinc/35/82/85/381358285.db2.gz XZQLGNZNHHCHBY-XGUBFFRZSA-N 1 3 340.468 -0.345 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419082241 381362163 /nfs/dbraw/zinc/36/21/63/381362163.db2.gz UEELEBOZYKXPSL-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419187313 381404363 /nfs/dbraw/zinc/40/43/63/381404363.db2.gz QZGSRHPPEIUCCW-AWEZNQCLSA-N 1 3 341.500 -0.382 20 0 EBADHO NCCN(CCO)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419177311 381393300 /nfs/dbraw/zinc/39/33/00/381393300.db2.gz DHAWRKUHJOGVMM-OAHLLOKOSA-N 1 3 340.468 -0.321 20 0 EBADHO NCCN(CCO)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419177311 381393308 /nfs/dbraw/zinc/39/33/08/381393308.db2.gz DHAWRKUHJOGVMM-OAHLLOKOSA-N 1 3 340.468 -0.321 20 0 EBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)C(C)(C)C ZINC000419140287 381394752 /nfs/dbraw/zinc/39/47/52/381394752.db2.gz VPNGAZMFKXHCAR-QWHCGFSZSA-N 1 3 328.457 -0.426 20 0 EBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)C(C)(C)C ZINC000419140289 381395505 /nfs/dbraw/zinc/39/55/05/381395505.db2.gz VPNGAZMFKXHCAR-STQMWFEESA-N 1 3 328.457 -0.426 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419145514 381397032 /nfs/dbraw/zinc/39/70/32/381397032.db2.gz GROXHQQSTHYBIY-CQSZACIVSA-N 1 3 328.457 -0.425 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCO1 ZINC000419222314 381402025 /nfs/dbraw/zinc/40/20/25/381402025.db2.gz BNXHXUCCTNLZJZ-CABCVRRESA-N 1 3 338.452 -0.447 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000419575779 381457038 /nfs/dbraw/zinc/45/70/38/381457038.db2.gz BONJCUNIGFQKJV-DOMZBBRYSA-N 1 3 328.482 -0.120 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCSC1 ZINC000419575784 381457299 /nfs/dbraw/zinc/45/72/99/381457299.db2.gz BONJCUNIGFQKJV-SWLSCSKDSA-N 1 3 328.482 -0.120 20 0 EBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419579392 381458985 /nfs/dbraw/zinc/45/89/85/381458985.db2.gz HFKDLFDMSIHAHA-DOMZBBRYSA-N 1 3 328.482 -0.250 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[N@H+](C)C1CC1 ZINC000419589716 381459944 /nfs/dbraw/zinc/45/99/44/381459944.db2.gz PLXOUBYFWKEVRD-NTZNESFSSA-N 1 3 326.441 -0.186 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[N@@H+](C)C1CC1 ZINC000419589716 381459948 /nfs/dbraw/zinc/45/99/48/381459948.db2.gz PLXOUBYFWKEVRD-NTZNESFSSA-N 1 3 326.441 -0.186 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419782512 381493706 /nfs/dbraw/zinc/49/37/06/381493706.db2.gz UIWUWBJXLOUCKW-QWHCGFSZSA-N 1 3 326.441 -0.591 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1CN ZINC000419785604 381495015 /nfs/dbraw/zinc/49/50/15/381495015.db2.gz SPJUOOXVLMJTNP-MCIONIFRSA-N 1 3 328.457 -0.202 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814310 381497794 /nfs/dbraw/zinc/49/77/94/381497794.db2.gz HGOYOMDFBRVPAQ-SOUVJXGZSA-N 1 3 339.484 -0.805 20 0 EBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH3+] ZINC000419840169 381501003 /nfs/dbraw/zinc/50/10/03/381501003.db2.gz RVAXLYRVFLPGFL-SFHVURJKSA-N 1 3 348.447 -0.453 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000419837281 381501704 /nfs/dbraw/zinc/50/17/04/381501704.db2.gz WMYWLUMMVASIRP-RBSFLKMASA-N 1 3 339.484 -0.805 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419973014 381523096 /nfs/dbraw/zinc/52/30/96/381523096.db2.gz HDFWFEOKVZICMW-ZIAGYGMSSA-N 1 3 328.457 -0.473 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420125130 381556797 /nfs/dbraw/zinc/55/67/97/381556797.db2.gz QHKYXVTZEKVNKA-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420190027 381563523 /nfs/dbraw/zinc/56/35/23/381563523.db2.gz FNCXTBCIPJUXHG-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420192459 381566695 /nfs/dbraw/zinc/56/66/95/381566695.db2.gz BIALDHGYLXUDQQ-LSDHHAIUSA-N 1 3 338.452 -0.432 20 0 EBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCOC2CNC2)c1 ZINC000571921234 381627024 /nfs/dbraw/zinc/62/70/24/381627024.db2.gz IAIBGLZQNWYYEJ-UHFFFAOYSA-N 1 3 342.421 -0.759 20 0 EBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000572234643 381651144 /nfs/dbraw/zinc/65/11/44/381651144.db2.gz URAIEYBTVKZTFM-KBPBESRZSA-N 1 3 325.457 -0.970 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000332278960 381774543 /nfs/dbraw/zinc/77/45/43/381774543.db2.gz HUMMVEIFJVUOFA-OAHLLOKOSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCO1 ZINC000643492790 381821702 /nfs/dbraw/zinc/82/17/02/381821702.db2.gz FZRGHYXAKPSEAL-ZNMIVQPWSA-N 1 3 338.452 -0.352 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000643498771 381905209 /nfs/dbraw/zinc/90/52/09/381905209.db2.gz TWIIUUOCZDSWCZ-KKUMJFAQSA-N 1 3 338.452 -0.352 20 0 EBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333468132 381924411 /nfs/dbraw/zinc/92/44/11/381924411.db2.gz DASRQGOJKNFXBZ-CVEARBPZSA-N 1 3 339.484 -0.214 20 0 EBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333468132 381924418 /nfs/dbraw/zinc/92/44/18/381924418.db2.gz DASRQGOJKNFXBZ-CVEARBPZSA-N 1 3 339.484 -0.214 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643509547 381927977 /nfs/dbraw/zinc/92/79/77/381927977.db2.gz PHBVVUOGUIZANL-HUUCEWRRSA-N 1 3 339.484 -0.851 20 0 EBADHO CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445536642 382168086 /nfs/dbraw/zinc/16/80/86/382168086.db2.gz FDTFPOMBVWUYLV-AWEZNQCLSA-N 1 3 336.436 -0.232 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339962418 284978725 /nfs/dbraw/zinc/97/87/25/284978725.db2.gz CTWUIYXZQZXNBV-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186483406 154143794 /nfs/dbraw/zinc/14/37/94/154143794.db2.gz GJQHAADKPRYVDZ-XSLAGTTESA-N 1 3 336.432 -0.458 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186483406 154143797 /nfs/dbraw/zinc/14/37/97/154143797.db2.gz GJQHAADKPRYVDZ-XSLAGTTESA-N 1 3 336.432 -0.458 20 0 EBADHO CO[C@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262826930 154248874 /nfs/dbraw/zinc/24/88/74/154248874.db2.gz HLNYOVKGIJNFKV-HNNXBMFYSA-N 1 3 336.436 -0.042 20 0 EBADHO CN(CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC1 ZINC000343284781 156119659 /nfs/dbraw/zinc/11/96/59/156119659.db2.gz HRNKHMHRDLPZOO-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343916137 156188167 /nfs/dbraw/zinc/18/81/67/156188167.db2.gz AZCMYAUAAARBKV-KURKYZTESA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343916137 156188169 /nfs/dbraw/zinc/18/81/69/156188169.db2.gz AZCMYAUAAARBKV-KURKYZTESA-N 1 3 340.512 -0.363 20 0 EBADHO C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343916137 156188172 /nfs/dbraw/zinc/18/81/72/156188172.db2.gz AZCMYAUAAARBKV-KURKYZTESA-N 1 3 340.512 -0.363 20 0 EBADHO CC(=O)N1CCN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000344028312 156199838 /nfs/dbraw/zinc/19/98/38/156199838.db2.gz MYBISKHPRHAAOI-UHFFFAOYSA-N 1 3 341.500 -0.508 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344441750 156229564 /nfs/dbraw/zinc/22/95/64/156229564.db2.gz OIMIRDBZTXTOCS-AWEZNQCLSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@H]1N(C)C ZINC000344632161 156249706 /nfs/dbraw/zinc/24/97/06/156249706.db2.gz QURUFSNGDHWNMZ-DZGCQCFKSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355882818 157030913 /nfs/dbraw/zinc/03/09/13/157030913.db2.gz SQCQUZQXCAFMCL-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000358598404 157266086 /nfs/dbraw/zinc/26/60/86/157266086.db2.gz INJIKRUUDAQIBZ-UHFFFAOYSA-N 1 3 326.485 -0.071 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360271685 157370331 /nfs/dbraw/zinc/37/03/31/157370331.db2.gz KLZYDSNQLZIWFU-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000360570974 157386869 /nfs/dbraw/zinc/38/68/69/157386869.db2.gz BWHKZVOEUSRSMY-GJZGRUSLSA-N 1 3 325.457 -0.314 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000653114064 418988114 /nfs/dbraw/zinc/98/81/14/418988114.db2.gz XCJMMXZRLKFDIV-MRXNPFEDSA-N 1 3 349.479 -0.127 20 0 EBADHO CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665760569 419009620 /nfs/dbraw/zinc/00/96/20/419009620.db2.gz KMNBBGHOJLUBBY-KBPBESRZSA-N 1 3 343.472 -0.585 20 0 EBADHO CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665760569 419009624 /nfs/dbraw/zinc/00/96/24/419009624.db2.gz KMNBBGHOJLUBBY-KBPBESRZSA-N 1 3 343.472 -0.585 20 0 EBADHO COCCN1CC[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650895587 419084478 /nfs/dbraw/zinc/08/44/78/419084478.db2.gz APRITTOBMKYCDJ-AWEZNQCLSA-N 1 3 341.456 -0.878 20 0 EBADHO O=C(C[C@H]1CSCCN1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000644135056 419104605 /nfs/dbraw/zinc/10/46/05/419104605.db2.gz HRNIRTAEPDVLGY-ZENOOKHLSA-N 1 3 340.493 -0.156 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653261681 419057301 /nfs/dbraw/zinc/05/73/01/419057301.db2.gz VZJGKIQIRPWHTP-KQTLUZQSSA-N 1 3 340.468 -0.027 20 0 EBADHO CN(C[C@@H](O)C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569758 419170077 /nfs/dbraw/zinc/17/00/77/419170077.db2.gz UNWUUZPFORBIBD-RDJZCZTQSA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@H+](C[C@@H](O)CN[C@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569758 419170080 /nfs/dbraw/zinc/17/00/80/419170080.db2.gz UNWUUZPFORBIBD-RDJZCZTQSA-N 1 3 326.485 -0.562 20 0 EBADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC000644569758 419170083 /nfs/dbraw/zinc/17/00/83/419170083.db2.gz UNWUUZPFORBIBD-RDJZCZTQSA-N 1 3 326.485 -0.562 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000652679751 419250560 /nfs/dbraw/zinc/25/05/60/419250560.db2.gz MONXRVSPCUSPRV-CHWSQXEVSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000652624069 419241234 /nfs/dbraw/zinc/24/12/34/419241234.db2.gz YUCRQZXTBNFLML-OCCSQVGLSA-N 1 3 334.424 -0.406 20 0 EBADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000652621641 419241792 /nfs/dbraw/zinc/24/17/92/419241792.db2.gz QFDGMFUOVRQBNG-GFCCVEGCSA-N 1 3 336.440 -0.031 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC[C@H]1[NH3+] ZINC000652623401 419242088 /nfs/dbraw/zinc/24/20/88/419242088.db2.gz HYIYIIPDCAMJQS-TZMCWYRMSA-N 1 3 336.440 -0.031 20 0 EBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2)CC1 ZINC000518935066 419509185 /nfs/dbraw/zinc/50/91/85/419509185.db2.gz SQHBFNJEAFTBGY-UHFFFAOYSA-N 1 3 331.420 -0.145 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000332278959 419584700 /nfs/dbraw/zinc/58/47/00/419584700.db2.gz HUMMVEIFJVUOFA-HNNXBMFYSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000659710752 419774458 /nfs/dbraw/zinc/77/44/58/419774458.db2.gz UFUXBDVZZOHRSG-HUUCEWRRSA-N 1 3 341.500 -0.524 20 0 EBADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659711603 419774923 /nfs/dbraw/zinc/77/49/23/419774923.db2.gz BCFLFMCDQSGXRT-HNNXBMFYSA-N 1 3 340.468 -0.140 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419879550 419815177 /nfs/dbraw/zinc/81/51/77/419815177.db2.gz ZBYSENARLXRWOL-HNNXBMFYSA-N 1 3 337.468 -0.905 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420008635 419829083 /nfs/dbraw/zinc/82/90/83/419829083.db2.gz DKJPBZIZRVHEES-ZIAGYGMSSA-N 1 3 328.457 -0.345 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024582 419838068 /nfs/dbraw/zinc/83/80/68/419838068.db2.gz AOQIRGQSTPPYEA-UONOGXRCSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000420064846 419838755 /nfs/dbraw/zinc/83/87/55/419838755.db2.gz OYEJTXXDLPDFPZ-YNEHKIRRSA-N 1 3 326.441 -0.374 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423211713 419922195 /nfs/dbraw/zinc/92/21/95/419922195.db2.gz LFXQSMUUSJHOQG-HNNXBMFYSA-N 1 3 340.468 -0.247 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423260887 419926571 /nfs/dbraw/zinc/92/65/71/419926571.db2.gz IPTJDRIRESMVQX-KKUMJFAQSA-N 1 3 340.468 -0.391 20 0 EBADHO CCO[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000659318571 420529532 /nfs/dbraw/zinc/52/95/32/420529532.db2.gz HGHWMAOTXZDKNA-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000516570618 420661013 /nfs/dbraw/zinc/66/10/13/420661013.db2.gz CGSQAFGSFSMGAT-OLZOCXBDSA-N 1 3 349.435 -0.019 20 0 EBADHO CN(C)CCN1CCN(C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000649493561 420810083 /nfs/dbraw/zinc/81/00/83/420810083.db2.gz RKQQFLLLAVYNKH-UHFFFAOYSA-N 1 3 325.457 -0.112 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022481 420866524 /nfs/dbraw/zinc/86/65/24/420866524.db2.gz HHOYTDDVVMDEKD-FVCCEPFGSA-N 1 3 326.441 -0.328 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656025382 420868486 /nfs/dbraw/zinc/86/84/86/420868486.db2.gz JCFOTODKLMKCOT-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000656028042 420868918 /nfs/dbraw/zinc/86/89/18/420868918.db2.gz HPACJYJBQBCSHF-RBSFLKMASA-N 1 3 337.468 -0.779 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659506815 421002277 /nfs/dbraw/zinc/00/22/77/421002277.db2.gz WRDOIKJRANUBFB-INIZCTEOSA-N 1 3 339.484 -0.166 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659549516 421003755 /nfs/dbraw/zinc/00/37/55/421003755.db2.gz LUEDOSCAOCNCTA-ZDUSSCGKSA-N 1 3 329.445 -0.974 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000659706694 421017352 /nfs/dbraw/zinc/01/73/52/421017352.db2.gz AHPYWVKJULICJD-GFCCVEGCSA-N 1 3 328.457 -0.284 20 0 EBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659713018 421017905 /nfs/dbraw/zinc/01/79/05/421017905.db2.gz AAUZUNXDPVMEIU-GJZGRUSLSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659725348 421023244 /nfs/dbraw/zinc/02/32/44/421023244.db2.gz ZSAYKFMLJDXINN-BPLDGKMQSA-N 1 3 338.452 -0.530 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730502 421024785 /nfs/dbraw/zinc/02/47/85/421024785.db2.gz XLJMCSWKCKMYRE-ZFWWWQNUSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659730502 421024786 /nfs/dbraw/zinc/02/47/86/421024786.db2.gz XLJMCSWKCKMYRE-ZFWWWQNUSA-N 1 3 338.452 -0.386 20 0 EBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)CCO1 ZINC000662954712 421117370 /nfs/dbraw/zinc/11/73/70/421117370.db2.gz NPFMQLZWHUWOKG-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664473636 421157664 /nfs/dbraw/zinc/15/76/64/421157664.db2.gz TZYWQXPVSCTTAI-UGUYLWEFSA-N 1 3 340.468 -0.320 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000448484719 421192348 /nfs/dbraw/zinc/19/23/48/421192348.db2.gz FVIBDVMKGTXEJX-ZIAGYGMSSA-N 1 3 348.451 0.126 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000448484719 421192350 /nfs/dbraw/zinc/19/23/50/421192350.db2.gz FVIBDVMKGTXEJX-ZIAGYGMSSA-N 1 3 348.451 0.126 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000626850302 421192725 /nfs/dbraw/zinc/19/27/25/421192725.db2.gz CRCCRZJUDXGIJD-LBPRGKRZSA-N 1 3 334.424 -0.216 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337642 421209963 /nfs/dbraw/zinc/20/99/63/421209963.db2.gz QGZHRJVLHNJRGH-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337642 421209966 /nfs/dbraw/zinc/20/99/66/421209966.db2.gz QGZHRJVLHNJRGH-KGLIPLIRSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883880 264838311 /nfs/dbraw/zinc/83/83/11/264838311.db2.gz VTOYAWRYFVWOIT-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423262673 264993051 /nfs/dbraw/zinc/99/30/51/264993051.db2.gz NCRYASCLOCNRJJ-LSDHHAIUSA-N 1 3 342.484 -0.001 20 0 EBADHO COCCCN(C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424469130 265064409 /nfs/dbraw/zinc/06/44/09/265064409.db2.gz ZCNWNQRWOKPEIF-LSDHHAIUSA-N 1 3 338.456 -0.176 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1=O ZINC000425307660 265091283 /nfs/dbraw/zinc/09/12/83/265091283.db2.gz BIQLCKBWRRUXQG-HOCLYGCPSA-N 1 3 342.484 -0.132 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCC(=O)N1CCOCC1 ZINC000436068157 265237814 /nfs/dbraw/zinc/23/78/14/265237814.db2.gz VPMNOBIICUZKCF-AWEZNQCLSA-N 1 3 326.441 -0.445 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000420185313 272823642 /nfs/dbraw/zinc/82/36/42/272823642.db2.gz PCWBURGVNZWSNR-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO CN1CCC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000670878299 545861497 /nfs/dbraw/zinc/86/14/97/545861497.db2.gz MVAKOQMLWKGDJY-OAHLLOKOSA-N 1 3 339.484 -0.661 20 0 EBADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000670878299 545861503 /nfs/dbraw/zinc/86/15/03/545861503.db2.gz MVAKOQMLWKGDJY-OAHLLOKOSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097420 546195135 /nfs/dbraw/zinc/19/51/35/546195135.db2.gz LUIUNOQILOYGED-ZDUSSCGKSA-N 1 3 336.440 -0.159 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000677019345 546222831 /nfs/dbraw/zinc/22/28/31/546222831.db2.gz AKSQSVWNOQHTKH-UHFFFAOYSA-N 1 3 326.401 -0.592 20 0 EBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559627 582558066 /nfs/dbraw/zinc/55/80/66/582558066.db2.gz GKPHPOOSMFNIRJ-BEAPCOKYSA-N 1 3 349.435 -0.200 20 0 EBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559630 582558194 /nfs/dbraw/zinc/55/81/94/582558194.db2.gz GKPHPOOSMFNIRJ-NGFQHRJXSA-N 1 3 349.435 -0.200 20 0 EBADHO C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894367243 582629474 /nfs/dbraw/zinc/62/94/74/582629474.db2.gz RLTQLQTZHXYKRC-CABCVRRESA-N 1 3 328.457 -0.195 20 0 EBADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000897465591 582690089 /nfs/dbraw/zinc/69/00/89/582690089.db2.gz XRJKUJROPPVBPP-AWEZNQCLSA-N 1 3 325.457 -0.256 20 0 EBADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000897465591 582690091 /nfs/dbraw/zinc/69/00/91/582690091.db2.gz XRJKUJROPPVBPP-AWEZNQCLSA-N 1 3 325.457 -0.256 20 0 EBADHO CCN1CCN(CCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900191823 582764088 /nfs/dbraw/zinc/76/40/88/582764088.db2.gz GHACOUAAOQXLOI-KRWDZBQOSA-N 1 3 326.485 -0.023 20 0 EBADHO CCN1CCN(CCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900191823 582764089 /nfs/dbraw/zinc/76/40/89/582764089.db2.gz GHACOUAAOQXLOI-KRWDZBQOSA-N 1 3 326.485 -0.023 20 0 EBADHO CN1CCC[C@](O)(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000900513332 582771237 /nfs/dbraw/zinc/77/12/37/582771237.db2.gz WQECGKCDDNTVDK-PBHICJAKSA-N 1 3 340.468 -0.463 20 0 EBADHO CN1CCC[C@](O)(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000900513332 582771239 /nfs/dbraw/zinc/77/12/39/582771239.db2.gz WQECGKCDDNTVDK-PBHICJAKSA-N 1 3 340.468 -0.463 20 0 EBADHO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000900658345 582777058 /nfs/dbraw/zinc/77/70/58/582777058.db2.gz GOWJWKPKDXOYPL-MRXNPFEDSA-N 1 3 325.501 -0.236 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685607 582778840 /nfs/dbraw/zinc/77/88/40/582778840.db2.gz GIHLOMYVFPGKSL-RDJZCZTQSA-N 1 3 326.485 -0.025 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900685607 582778842 /nfs/dbraw/zinc/77/88/42/582778842.db2.gz GIHLOMYVFPGKSL-RDJZCZTQSA-N 1 3 326.485 -0.025 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000903490961 582809229 /nfs/dbraw/zinc/80/92/29/582809229.db2.gz OSYAEUSBYJALRO-TVRNETQVSA-N 1 3 339.436 -0.166 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NC[C@H]1CCCO1)C2 ZINC000903493160 582809579 /nfs/dbraw/zinc/80/95/79/582809579.db2.gz VTGGPDJFIRSTHL-RFJMFJJWSA-N 1 3 339.436 -0.118 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903529042 582810666 /nfs/dbraw/zinc/81/06/66/582810666.db2.gz DWBCEDBBRKYBQY-ZWNOBZJWSA-N 1 3 329.470 -0.052 20 0 EBADHO Cc1c(C[C@H](CN)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cnn1C ZINC000903933936 582823759 /nfs/dbraw/zinc/82/37/59/582823759.db2.gz BKRAQCGRXBIHMU-CSMYWGQOSA-N 1 3 333.436 -0.169 20 0 EBADHO C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000741085967 583069418 /nfs/dbraw/zinc/06/94/18/583069418.db2.gz ACOCENQNRVOFQR-UONOGXRCSA-N 1 3 326.441 -0.395 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cnccn1 ZINC000793486087 583566320 /nfs/dbraw/zinc/56/63/20/583566320.db2.gz RZNQJYLDSIKCEI-UHFFFAOYSA-N 1 3 336.440 -0.913 20 0 EBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804051659 583637244 /nfs/dbraw/zinc/63/72/44/583637244.db2.gz ASLZOAILRSKUBC-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181494 584090255 /nfs/dbraw/zinc/09/02/55/584090255.db2.gz SHZFORZLUOBEGY-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000859223390 584297799 /nfs/dbraw/zinc/29/77/99/584297799.db2.gz VZPHZZXDJCIWGF-VWPFQQQWSA-N 1 3 339.436 -0.341 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000861749573 584337331 /nfs/dbraw/zinc/33/73/31/584337331.db2.gz CSIZXYVCEWHEET-AEGPPILISA-N 1 3 338.452 -0.387 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861773274 584338367 /nfs/dbraw/zinc/33/83/67/584338367.db2.gz KNDHMKHTMUIENZ-KGLIPLIRSA-N 1 3 327.473 -0.818 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863772064 584378214 /nfs/dbraw/zinc/37/82/14/584378214.db2.gz FGALSVQFMSNBOJ-AWEZNQCLSA-N 1 3 340.468 -0.105 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868403952 584428586 /nfs/dbraw/zinc/42/85/86/584428586.db2.gz BIFASYOCAXGDCX-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)C1 ZINC000872195241 584459928 /nfs/dbraw/zinc/45/99/28/584459928.db2.gz NTWGZODZLPDHOZ-QGTPRVQTSA-N 1 3 334.464 -0.001 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@@H](CC[N@@H+]3C)C1)C2=O ZINC000872725100 584466593 /nfs/dbraw/zinc/46/65/93/584466593.db2.gz BPIBZEBTJJIPHZ-UONOGXRCSA-N 1 3 335.452 -0.014 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@@H](CC[N@H+]3C)C1)C2=O ZINC000872725100 584466595 /nfs/dbraw/zinc/46/65/95/584466595.db2.gz BPIBZEBTJJIPHZ-UONOGXRCSA-N 1 3 335.452 -0.014 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCF)n1 ZINC000873823421 584476327 /nfs/dbraw/zinc/47/63/27/584476327.db2.gz UXVSPIQWMCXMOS-UHFFFAOYSA-N 1 3 342.419 -0.257 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000875292584 584496433 /nfs/dbraw/zinc/49/64/33/584496433.db2.gz MDFTVRLCKRPBIO-HZPDHXFCSA-N 1 3 340.468 -0.004 20 0 EBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875307628 584496791 /nfs/dbraw/zinc/49/67/91/584496791.db2.gz ABCPTMAOYKRPPW-KBPBESRZSA-N 1 3 328.457 -0.149 20 0 EBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875307628 584496793 /nfs/dbraw/zinc/49/67/93/584496793.db2.gz ABCPTMAOYKRPPW-KBPBESRZSA-N 1 3 328.457 -0.149 20 0 EBADHO CON(C)C(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000875713836 584504999 /nfs/dbraw/zinc/50/49/99/584504999.db2.gz HZIGGYDHRVHJFL-QWHCGFSZSA-N 1 3 331.461 -0.034 20 0 EBADHO CON(C)C(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000875713836 584505001 /nfs/dbraw/zinc/50/50/01/584505001.db2.gz HZIGGYDHRVHJFL-QWHCGFSZSA-N 1 3 331.461 -0.034 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876745965 584521981 /nfs/dbraw/zinc/52/19/81/584521981.db2.gz HIVVPSCFRHXFLQ-JYJNAYRXSA-N 1 3 325.501 -0.108 20 0 EBADHO COC[C@]1(C(=O)NCC2CC[NH+](CCN(C)C)CC2)CNCCO1 ZINC000876737066 584521998 /nfs/dbraw/zinc/52/19/98/584521998.db2.gz PIJLXDYFPJTRBD-KRWDZBQOSA-N 1 3 342.484 -0.619 20 0 EBADHO COC[C@]1(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CNCCO1 ZINC000876737066 584522000 /nfs/dbraw/zinc/52/20/00/584522000.db2.gz PIJLXDYFPJTRBD-KRWDZBQOSA-N 1 3 342.484 -0.619 20 0 EBADHO O[C@@H]1CCN(Cc2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)cc2)C[C@@H]1O ZINC000879610073 584554817 /nfs/dbraw/zinc/55/48/17/584554817.db2.gz FCJXDZNPNYSBGZ-BDXSIMOUSA-N 1 3 336.432 -0.458 20 0 EBADHO O[C@@H]1CCN(Cc2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)cc2)C[C@@H]1O ZINC000879610073 584554818 /nfs/dbraw/zinc/55/48/18/584554818.db2.gz FCJXDZNPNYSBGZ-BDXSIMOUSA-N 1 3 336.432 -0.458 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCOCC[NH+](C)C ZINC000888858492 584571663 /nfs/dbraw/zinc/57/16/63/584571663.db2.gz RFBDCLGARYVQRP-ZDUSSCGKSA-N 1 3 329.445 -0.674 20 0 EBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000884518210 584625560 /nfs/dbraw/zinc/62/55/60/584625560.db2.gz IYVSJCJHEVXUNW-GJZGRUSLSA-N 1 3 346.431 -0.184 20 0 EBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000884560455 584627713 /nfs/dbraw/zinc/62/77/13/584627713.db2.gz XZDWUGRCXFXIJM-ZQDZILKHSA-N 1 3 338.452 -0.401 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884662281 584632237 /nfs/dbraw/zinc/63/22/37/584632237.db2.gz MFFDLCDAHOAULX-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884656613 584632409 /nfs/dbraw/zinc/63/24/09/584632409.db2.gz NJQSIBPSEZGIQB-CHWSQXEVSA-N 1 3 340.468 -0.060 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1c1ccncc1 ZINC000884706656 584635056 /nfs/dbraw/zinc/63/50/56/584635056.db2.gz KEILIPKOKNXVKK-WFASDCNBSA-N 1 3 331.420 -0.028 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885279213 584646748 /nfs/dbraw/zinc/64/67/48/584646748.db2.gz AINPHPLNLKFBRX-LBPRGKRZSA-N 1 3 332.395 -0.098 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419447113 650009347 /nfs/dbraw/zinc/00/93/47/650009347.db2.gz HGFXWXUVSGDVOT-INIZCTEOSA-N 1 3 326.441 -0.575 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419447460 650009359 /nfs/dbraw/zinc/00/93/59/650009359.db2.gz HGFXWXUVSGDVOT-MRXNPFEDSA-N 1 3 326.441 -0.575 20 0 EBADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000904994475 650056958 /nfs/dbraw/zinc/05/69/58/650056958.db2.gz GYVBMRBWPSVZME-CABCVRRESA-N 1 3 336.436 -0.704 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1=O ZINC000908235259 650098964 /nfs/dbraw/zinc/09/89/64/650098964.db2.gz ALODSWAGJJGWJF-AWEZNQCLSA-N 1 3 338.452 -0.623 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911054491 650148237 /nfs/dbraw/zinc/14/82/37/650148237.db2.gz INIFDHBRLXWVRF-OAHLLOKOSA-N 1 3 339.484 -0.484 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000911097144 650151280 /nfs/dbraw/zinc/15/12/80/650151280.db2.gz NQZLHRYXUGBWFN-ZDUSSCGKSA-N 1 3 339.484 -0.676 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911146215 650153655 /nfs/dbraw/zinc/15/36/55/650153655.db2.gz JUGQKGKACNNMLH-HJQYOEGKSA-N 1 3 348.369 -0.067 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000911149559 650154650 /nfs/dbraw/zinc/15/46/50/650154650.db2.gz XOKWKBCKAJCRKP-KBXIAJHMSA-N 1 3 338.452 -0.672 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[C@H]1C[NH3+] ZINC000911148897 650154865 /nfs/dbraw/zinc/15/48/65/650154865.db2.gz SOUAKTLUZCIIAX-CBBWQLFWSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000911157995 650155131 /nfs/dbraw/zinc/15/51/31/650155131.db2.gz KJZIAZVHUKHJCF-CZUORRHYSA-N 1 3 344.459 -0.074 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911161253 650155410 /nfs/dbraw/zinc/15/54/10/650155410.db2.gz JOTJEHMNJNSENA-CJNGLKHVSA-N 1 3 326.441 -0.853 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911176931 650157121 /nfs/dbraw/zinc/15/71/21/650157121.db2.gz QMVOKEYCCNFGKR-KBPBESRZSA-N 1 3 328.457 -0.486 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911177467 650157206 /nfs/dbraw/zinc/15/72/06/650157206.db2.gz SENOBURFJJRFKO-PBHICJAKSA-N 1 3 340.468 -0.199 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911176934 650157213 /nfs/dbraw/zinc/15/72/13/650157213.db2.gz QMVOKEYCCNFGKR-ZIAGYGMSSA-N 1 3 328.457 -0.486 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(C)C ZINC000911199119 650159136 /nfs/dbraw/zinc/15/91/36/650159136.db2.gz LAGBSBGKKFIIHQ-HNNXBMFYSA-N 1 3 330.498 -0.004 20 0 EBADHO C[C@H](NC(=O)C(=O)N1CCNCCNCC1)C(C)(C)C[NH+](C)C ZINC000911201559 650159180 /nfs/dbraw/zinc/15/91/80/650159180.db2.gz SCAPDLXPZRPJRD-ZDUSSCGKSA-N 1 3 327.473 -0.900 20 0 EBADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCNCCNCC1)C(C)C ZINC000911267877 650164248 /nfs/dbraw/zinc/16/42/48/650164248.db2.gz NSLYFDPGWLMQAO-UHFFFAOYSA-N 1 3 327.473 -0.757 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911338164 650172416 /nfs/dbraw/zinc/17/24/16/650172416.db2.gz ZDOBEWIXOGAFOO-AWEZNQCLSA-N 1 3 325.457 -0.874 20 0 EBADHO O=C(CN1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000923319952 650338038 /nfs/dbraw/zinc/33/80/38/650338038.db2.gz RBBOWCUDGVWJCC-INIZCTEOSA-N 1 3 336.480 -0.005 20 0 EBADHO CC(=O)N1CCN(C(=O)CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923458903 650341145 /nfs/dbraw/zinc/34/11/45/650341145.db2.gz WHBBPMWLQCAYIK-OAHLLOKOSA-N 1 3 338.452 -0.493 20 0 EBADHO C[NH+](C)CC[C@H](NS(=O)(=O)N1CCNCC1)c1cccnc1 ZINC000923676787 650352323 /nfs/dbraw/zinc/35/23/23/650352323.db2.gz NPIWGIDZYKBQQT-AWEZNQCLSA-N 1 3 327.454 -0.186 20 0 EBADHO O=S(=O)(NCc1cc(O[C@H]2CC[NH2+]C2)ccn1)N1CCNCC1 ZINC000923650315 650350665 /nfs/dbraw/zinc/35/06/65/650350665.db2.gz NKSATVZSUOKNGQ-AWEZNQCLSA-N 1 3 341.437 -0.938 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926294175 650385188 /nfs/dbraw/zinc/38/51/88/650385188.db2.gz CAEOCWGXYNNKOQ-ZDUSSCGKSA-N 1 3 326.441 -0.637 20 0 EBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926318947 650385643 /nfs/dbraw/zinc/38/56/43/650385643.db2.gz CKDTUFCQOINQOV-MRXNPFEDSA-N 1 3 326.441 -0.759 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926328822 650386142 /nfs/dbraw/zinc/38/61/42/650386142.db2.gz SRTWYHGLMQIUQY-CABCVRRESA-N 1 3 340.468 -0.247 20 0 EBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926333413 650386608 /nfs/dbraw/zinc/38/66/08/650386608.db2.gz JNOLWIDHHNLGDT-CJNGLKHVSA-N 1 3 326.441 -0.759 20 0 EBADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@H](C)C1 ZINC000926347935 650387998 /nfs/dbraw/zinc/38/79/98/650387998.db2.gz PABOELSQPNPCDL-HUUCEWRRSA-N 1 3 339.484 -0.804 20 0 EBADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)[C@H](C)C1 ZINC000926347935 650388000 /nfs/dbraw/zinc/38/80/00/650388000.db2.gz PABOELSQPNPCDL-HUUCEWRRSA-N 1 3 339.484 -0.804 20 0 EBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926381868 650390371 /nfs/dbraw/zinc/39/03/71/650390371.db2.gz YHXPXDUMBCUIDE-CJNGLKHVSA-N 1 3 326.441 -0.760 20 0 EBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926391215 650390873 /nfs/dbraw/zinc/39/08/73/650390873.db2.gz PRIDBXVTBZXYGE-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930113067 651584543 /nfs/dbraw/zinc/58/45/43/651584543.db2.gz IKQQANWTZCKBTL-DLBZAZTESA-N 1 3 329.485 -0.153 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930113067 651584546 /nfs/dbraw/zinc/58/45/46/651584546.db2.gz IKQQANWTZCKBTL-DLBZAZTESA-N 1 3 329.485 -0.153 20 0 EBADHO CN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000930175159 651587936 /nfs/dbraw/zinc/58/79/36/651587936.db2.gz QZKPDNMMHMGKNL-UKRRQHHQSA-N 1 3 337.468 -0.909 20 0 EBADHO CN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000930175159 651587937 /nfs/dbraw/zinc/58/79/37/651587937.db2.gz QZKPDNMMHMGKNL-UKRRQHHQSA-N 1 3 337.468 -0.909 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000931018009 651619998 /nfs/dbraw/zinc/61/99/98/651619998.db2.gz KLEINPNTJPRFJX-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H]1CN(CCN2CCNC2=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170841 652700646 /nfs/dbraw/zinc/70/06/46/652700646.db2.gz VNXXGSPLYQFUHQ-CABCVRRESA-N 1 3 349.479 -0.066 20 0 EBADHO CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000946918210 653261759 /nfs/dbraw/zinc/26/17/59/653261759.db2.gz FNVZLTGXFWZOKV-ZIAGYGMSSA-N 1 3 338.452 -0.746 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000946918430 653263445 /nfs/dbraw/zinc/26/34/45/653263445.db2.gz JYEZKFQZWUMRRZ-KBPBESRZSA-N 1 3 338.452 -0.698 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946927916 653274920 /nfs/dbraw/zinc/27/49/20/653274920.db2.gz OYKAYMXFKYSWEU-ZIAGYGMSSA-N 1 3 338.452 -0.698 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001019037731 728777726 /nfs/dbraw/zinc/77/77/26/728777726.db2.gz ACRKTOIFCPBXLJ-CYBMUJFWSA-N 1 3 331.420 -0.035 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001019037731 728777727 /nfs/dbraw/zinc/77/77/27/728777727.db2.gz ACRKTOIFCPBXLJ-CYBMUJFWSA-N 1 3 331.420 -0.035 20 0 EBADHO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000963839751 723498713 /nfs/dbraw/zinc/49/87/13/723498713.db2.gz XFIMMEYKXANYNU-MJZBCOPKSA-N 1 3 336.436 -0.648 20 0 EBADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001019386899 728876496 /nfs/dbraw/zinc/87/64/96/728876496.db2.gz XODUOIJZNCBXMO-STQMWFEESA-N 1 3 336.436 -0.286 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019438967 728883669 /nfs/dbraw/zinc/88/36/69/728883669.db2.gz XPQAXCUVMCCWBI-RYUDHWBXSA-N 1 3 326.422 -0.423 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1)[NH+](C)C 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EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001061724736 738725276 /nfs/dbraw/zinc/72/52/76/738725276.db2.gz WGDSIFDPSPFAHB-HIFRSBDPSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001061724736 738725279 /nfs/dbraw/zinc/72/52/79/738725279.db2.gz WGDSIFDPSPFAHB-HIFRSBDPSA-N 1 3 349.435 -0.362 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)CC1 ZINC001045256740 733637934 /nfs/dbraw/zinc/63/79/34/733637934.db2.gz DHQWVORLRBNPOX-ZFWWWQNUSA-N 1 3 338.452 -0.434 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(CCN3CCNC3=O)CC2)C1 ZINC001045639281 733743389 /nfs/dbraw/zinc/74/33/89/733743389.db2.gz GKETVGSMVHCHEG-AWEZNQCLSA-N 1 3 337.468 -0.066 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(CCN3CCNC3=O)CC2)C1 ZINC001045639281 733743392 /nfs/dbraw/zinc/74/33/92/733743392.db2.gz GKETVGSMVHCHEG-AWEZNQCLSA-N 1 3 337.468 -0.066 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001046037073 733821167 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CC[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001056104339 736642963 /nfs/dbraw/zinc/64/29/63/736642963.db2.gz CVLKEGMAJOOVGF-PBHICJAKSA-N 1 3 342.484 -0.252 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636710 737376869 /nfs/dbraw/zinc/37/68/69/737376869.db2.gz XIUYLPQHSITRCA-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636710 737376873 /nfs/dbraw/zinc/37/68/73/737376873.db2.gz XIUYLPQHSITRCA-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001057658880 737396033 /nfs/dbraw/zinc/39/60/33/737396033.db2.gz GQHHZYXMUWAKOI-MRXNPFEDSA-N 1 3 344.500 -0.149 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001058157539 737679721 /nfs/dbraw/zinc/67/97/21/737679721.db2.gz APVWRXSSWXFZJN-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001058157539 737679725 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CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CN1CC[C@@H](C)C1 ZINC001058845337 738025868 /nfs/dbraw/zinc/02/58/68/738025868.db2.gz LCZKYGGUSWEBKD-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058849361 738031821 /nfs/dbraw/zinc/03/18/21/738031821.db2.gz SMUAVQKPVUWLEG-CABCVRRESA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001058849361 738031825 /nfs/dbraw/zinc/03/18/25/738031825.db2.gz SMUAVQKPVUWLEG-CABCVRRESA-N 1 3 342.484 -0.539 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001065675063 739838558 /nfs/dbraw/zinc/83/85/58/739838558.db2.gz KOXWLLKINBXRIO-CQSZACIVSA-N 1 3 337.424 -0.362 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)C1CC1 ZINC001070500761 740850583 /nfs/dbraw/zinc/85/05/83/740850583.db2.gz GKVLUQYYQPZXOS-IMJJTQAJSA-N 1 3 335.452 -0.363 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001074758566 742100956 /nfs/dbraw/zinc/10/09/56/742100956.db2.gz CJWVBMUHLUQKOC-CYBMUJFWSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001074758566 742100960 /nfs/dbraw/zinc/10/09/60/742100960.db2.gz CJWVBMUHLUQKOC-CYBMUJFWSA-N 1 3 349.435 -0.626 20 0 EBADHO C[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804162 742302888 /nfs/dbraw/zinc/30/28/88/742302888.db2.gz YUXALKZYPGIWGR-IJEWVQPXSA-N 1 3 335.452 -0.028 20 0 EBADHO C[C@H](O)CN1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804163 742303205 /nfs/dbraw/zinc/30/32/05/742303205.db2.gz YUXALKZYPGIWGR-OFQRWUPVSA-N 1 3 335.452 -0.028 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076070371 742371450 /nfs/dbraw/zinc/37/14/50/742371450.db2.gz GBLNGDNTMWSVQG-SYGRHNPNSA-N 1 3 335.448 -0.235 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076070371 742371457 /nfs/dbraw/zinc/37/14/57/742371457.db2.gz 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EBADHO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)CN1CCCC1 ZINC000989795947 808596941 /nfs/dbraw/zinc/59/69/41/808596941.db2.gz DZMNXSZYKBGJII-OLZOCXBDSA-N 1 3 337.424 -0.787 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214343825 810240296 /nfs/dbraw/zinc/24/02/96/810240296.db2.gz HMHUPLHMMBNOBF-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214952727 810294981 /nfs/dbraw/zinc/29/49/81/810294981.db2.gz JJUPSPZHNLXBPO-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N(C)C ZINC001216090395 810357908 /nfs/dbraw/zinc/35/79/08/810357908.db2.gz GTKQYNWULXGFJC-UKRRQHHQSA-N 1 3 340.468 -0.378 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001216221235 810364313 /nfs/dbraw/zinc/36/43/13/810364313.db2.gz GCJLGRAHCYPAIM-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001216221235 810364318 /nfs/dbraw/zinc/36/43/18/810364318.db2.gz GCJLGRAHCYPAIM-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]CCOC1 ZINC001218042705 810472581 /nfs/dbraw/zinc/47/25/81/810472581.db2.gz UFMHWIWZNDNPSG-VIFPVBQESA-N 1 3 340.380 -0.872 20 0 EBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218107945 810477473 /nfs/dbraw/zinc/47/74/73/810477473.db2.gz VPWYEKFRMHIRNY-ZNMIVQPWSA-N 1 3 348.447 -0.225 20 0 EBADHO CN1CCN(c2ncccc2NC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001218555401 810501995 /nfs/dbraw/zinc/50/19/95/810501995.db2.gz JKPUOXWDBXFICJ-LBPRGKRZSA-N 1 3 338.481 -0.209 20 0 EBADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3COC4(CNC4)CN3)cn2)CC1 ZINC001218725069 810523701 /nfs/dbraw/zinc/52/37/01/810523701.db2.gz QQGMFFLJZSAUMI-AWEZNQCLSA-N 1 3 346.435 -0.722 20 0 EBADHO [NH3+][C@H]1CN[C@H](C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)C1 ZINC001218874054 810538360 /nfs/dbraw/zinc/53/83/60/810538360.db2.gz OSSKDKLLRXIEIS-CJNGLKHVSA-N 1 3 333.436 -0.571 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCn1ccnc1 ZINC001219564173 810751896 /nfs/dbraw/zinc/75/18/96/810751896.db2.gz ULSJFROLSDKUIG-KBPBESRZSA-N 1 3 336.440 -0.553 20 0 EBADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219609869 810769358 /nfs/dbraw/zinc/76/93/58/810769358.db2.gz GQRNDDLYGMDPQL-KWQFWETISA-N 1 3 341.355 -0.826 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801177 810849367 /nfs/dbraw/zinc/84/93/67/810849367.db2.gz VDZXSLGWVVOUEV-OLZOCXBDSA-N 1 3 326.441 -0.639 20 0 EBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cncc2c1CCNC2 ZINC001219843810 810875337 /nfs/dbraw/zinc/87/53/37/810875337.db2.gz DBZARZURXZEDGL-ACJLOTCBSA-N 1 3 346.431 -0.148 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC3(CN(CCO)C3)CC2)n1 ZINC001035708300 810997218 /nfs/dbraw/zinc/99/72/18/810997218.db2.gz YZFSCEFGAYEVSX-UHFFFAOYSA-N 1 3 335.452 -0.025 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc[nH]c(=O)c1 ZINC001220147306 811000464 /nfs/dbraw/zinc/00/04/64/811000464.db2.gz AJFVKNFDVCKRRZ-KBPBESRZSA-N 1 3 349.435 -0.149 20 0 EBADHO O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CNCc2ccnn2C1 ZINC001220311989 811052464 /nfs/dbraw/zinc/05/24/64/811052464.db2.gz VNKKRAUKWINNHL-GFCCVEGCSA-N 1 3 329.408 -0.391 20 0 EBADHO Cn1cc(Br)c(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001220335753 811059156 /nfs/dbraw/zinc/05/91/56/811059156.db2.gz SNXSLNVQOOXEDB-NOZJJQNGSA-N 1 3 342.241 -0.002 20 0 EBADHO NCc1ccc2c(n1)N(C(=O)[C@H](N)CN1CCC([NH3+])CC1)CCC2 ZINC001220377361 811079475 /nfs/dbraw/zinc/07/94/75/811079475.db2.gz UATZGCGJCANDHP-OAHLLOKOSA-N 1 3 332.452 -0.430 20 0 EBADHO Cn1c(=O)cc(NC(=O)[C@@H](N)CCC[NH3+])n(-c2ccccc2)c1=O ZINC001220413675 811098588 /nfs/dbraw/zinc/09/85/88/811098588.db2.gz NIBJPPMISRIBKY-LBPRGKRZSA-N 1 3 331.376 -0.459 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036197115 811117961 /nfs/dbraw/zinc/11/79/61/811117961.db2.gz DETAJMGNAMVKNP-WCQYABFASA-N 1 3 348.407 -0.669 20 0 EBADHO CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001220489979 811124638 /nfs/dbraw/zinc/12/46/38/811124638.db2.gz OCFUVGHOIMZHCF-CQSZACIVSA-N 1 3 337.445 -0.095 20 0 EBADHO O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001220737000 811224414 /nfs/dbraw/zinc/22/44/14/811224414.db2.gz YWYZZYKDSKOQCY-JKSUJKDBSA-N 1 3 330.432 -0.183 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805483 811247727 /nfs/dbraw/zinc/24/77/27/811247727.db2.gz SEBNNOFPHRQOAM-NAKRPEOUSA-N 1 3 336.358 -0.019 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1ccccn1 ZINC001220900256 811287204 /nfs/dbraw/zinc/28/72/04/811287204.db2.gz FRLGJKWKNBOHIR-JQWIXIFHSA-N 1 3 326.422 -0.179 20 0 EBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914962 811291530 /nfs/dbraw/zinc/29/15/30/811291530.db2.gz HTHIRCGWYTXCMI-DLBZAZTESA-N 1 3 346.479 -0.478 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1=O ZINC001220931273 811297467 /nfs/dbraw/zinc/29/74/67/811297467.db2.gz ZUEVJLFQBNGAIL-YDHLFZDLSA-N 1 3 338.452 -0.177 20 0 EBADHO O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220929492 811298412 /nfs/dbraw/zinc/29/84/12/811298412.db2.gz AJCJJIXTSLMODL-CQSZACIVSA-N 1 3 330.436 -0.382 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001220968832 811315420 /nfs/dbraw/zinc/31/54/20/811315420.db2.gz FNLGDTVHIDVVKL-GJZGRUSLSA-N 1 3 346.431 -0.655 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001220968823 811316097 /nfs/dbraw/zinc/31/60/97/811316097.db2.gz FAVIIVYSHGRXPR-AWEZNQCLSA-N 1 3 334.420 -0.668 20 0 EBADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221357307 811446176 /nfs/dbraw/zinc/44/61/76/811446176.db2.gz HCFLSPQLTFXBPB-QWHCGFSZSA-N 1 3 332.514 -0.131 20 0 EBADHO COC1CC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221367402 811447961 /nfs/dbraw/zinc/44/79/61/811447961.db2.gz QKSMDBAXLQENMX-WUCCLRPBSA-N 1 3 340.468 -0.025 20 0 EBADHO [NH3+]CCNC(=O)c1cccc(CN2CCOC[C@]3(CNCCO3)C2)c1 ZINC001222191516 811608756 /nfs/dbraw/zinc/60/87/56/811608756.db2.gz MNOXBXKUVSTJAW-SFHVURJKSA-N 1 3 348.447 -0.434 20 0 EBADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079816836 811742775 /nfs/dbraw/zinc/74/27/75/811742775.db2.gz VNGHDIKSTPNTGB-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001228445985 811978751 /nfs/dbraw/zinc/97/87/51/811978751.db2.gz ZRSVGXLAHQODPH-YRGRVCCFSA-N 1 3 341.456 -0.216 20 0 EBADHO CCOC1(OCC)CC[NH2+]C[C@H]1[N-]S(=O)(=O)C1CC[NH2+]CC1 ZINC001238183220 812525614 /nfs/dbraw/zinc/52/56/14/812525614.db2.gz UTAYOLUSMQEOSQ-CYBMUJFWSA-N 1 3 335.470 -0.211 20 0 EBADHO CCOC(=O)C1=C(NC[C@H](O)CC2(O)CC[NH2+]CC2)CCNC1 ZINC001245996481 812558671 /nfs/dbraw/zinc/55/86/71/812558671.db2.gz RMMXANJWJLMXSO-GFCCVEGCSA-N 1 3 327.425 -0.748 20 0 EBADHO CCOC(=O)[C@H]1CNCCN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246603937 812576108 /nfs/dbraw/zinc/57/61/08/812576108.db2.gz MKJCCWXBBMGZFP-OYNNJRIESA-N 1 3 339.436 -0.105 20 0 EBADHO CCOC(=O)[C@@H]1CNCCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599525 812576855 /nfs/dbraw/zinc/57/68/55/812576855.db2.gz CVXOBBDQNUXFGG-AVGNSLFASA-N 1 3 342.465 -0.913 20 0 EBADHO CCOC(=O)[C@H]1CNCCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599531 812577017 /nfs/dbraw/zinc/57/70/17/812577017.db2.gz CVXOBBDQNUXFGG-FRRDWIJNSA-N 1 3 342.465 -0.913 20 0 EBADHO CCOC(=O)[C@]12CN([C@@H]3CC[C@@H](C(=O)OC)NC3)C[C@H]1C[NH2+]CC2 ZINC001246854036 812590481 /nfs/dbraw/zinc/59/04/81/812590481.db2.gz BTULXRRFPGCIGP-VWPFQQQWSA-N 1 3 339.436 -0.245 20 0 EBADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@](N)(C(=O)OC)C3)C[C@H](C1)N2 ZINC001246928470 812592784 /nfs/dbraw/zinc/59/27/84/812592784.db2.gz ZZCDIKKXWXCSKZ-CTWKNQSGSA-N 1 3 325.409 -0.365 20 0 EBADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@](N)(C(=O)OC)C3)C[C@H](C1)N2 ZINC001246928470 812592787 /nfs/dbraw/zinc/59/27/87/812592787.db2.gz ZZCDIKKXWXCSKZ-CTWKNQSGSA-N 1 3 325.409 -0.365 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[NH2+]C2(CCC2)C1)O3 ZINC001247009104 812596186 /nfs/dbraw/zinc/59/61/86/812596186.db2.gz KBLDGTWDZQICGX-XFMPKHEZSA-N 1 3 327.450 -0.194 20 0 EBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN)CCN1C(=O)OC(C)(C)C ZINC001256490994 812734243 /nfs/dbraw/zinc/73/42/43/812734243.db2.gz ZVNABMJIFTUBPI-SRVKXCTJSA-N 1 3 331.413 -0.163 20 0 EBADHO Cc1cn(CC(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(=O)[nH]c1=O ZINC001256615949 812736090 /nfs/dbraw/zinc/73/60/90/812736090.db2.gz DPUJCUJDJWDYME-AGUYFDCRSA-N 1 3 349.435 -0.412 20 0 EBADHO CN1CC[NH+](C2CCN(C3CCN(S(N)(=O)=O)CC3)CC2)CC1 ZINC001260078962 812823653 /nfs/dbraw/zinc/82/36/53/812823653.db2.gz BBVQZYHTPODJFF-UHFFFAOYSA-N 1 3 345.513 -0.634 20 0 EBADHO COCCNCC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261891696 813005350 /nfs/dbraw/zinc/00/53/50/813005350.db2.gz NQRSDMGWKVQFIU-OLZOCXBDSA-N 1 3 326.397 -0.994 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001262070604 813032684 /nfs/dbraw/zinc/03/26/84/813032684.db2.gz FMPSCGRTBIDSMI-DZGCQCFKSA-N 1 3 337.468 -0.909 20 0 EBADHO C[NH+]1CCC(NC(=O)C(=O)N2CCNCCC23CCOCC3)CC1 ZINC001262541941 813090657 /nfs/dbraw/zinc/09/06/57/813090657.db2.gz MKQRDYIOPWJPLP-UHFFFAOYSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(NCCCN1CCN(CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001265244998 813272813 /nfs/dbraw/zinc/27/28/13/813272813.db2.gz XTOCVDJXPRABHN-UHFFFAOYSA-N 1 3 338.496 -0.021 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(CCN2C(=O)CNC2=O)C1 ZINC001265590686 813345394 /nfs/dbraw/zinc/34/53/94/813345394.db2.gz FONLXOWIFBCPGK-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001265690925 813359577 /nfs/dbraw/zinc/35/95/77/813359577.db2.gz AHBRXFKGIQPXGP-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001265690925 813359585 /nfs/dbraw/zinc/35/95/85/813359585.db2.gz AHBRXFKGIQPXGP-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO CS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265905863 813410350 /nfs/dbraw/zinc/41/03/50/813410350.db2.gz XZYBGNKYUYQVJM-KBPBESRZSA-N 1 3 344.481 -0.932 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC1 ZINC001081700349 813437516 /nfs/dbraw/zinc/43/75/16/813437516.db2.gz HJPNFDAJXAXGOB-JSGCOSHPSA-N 1 3 349.435 -0.771 20 0 EBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001266042957 813446065 /nfs/dbraw/zinc/44/60/65/813446065.db2.gz QYAUMRZZORDAEC-MCIONIFRSA-N 1 3 338.452 -0.040 20 0 EBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001266042957 813446068 /nfs/dbraw/zinc/44/60/68/813446068.db2.gz QYAUMRZZORDAEC-MCIONIFRSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001266756862 813662862 /nfs/dbraw/zinc/66/28/62/813662862.db2.gz DDJICSZYSCZKKQ-KBPBESRZSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001266756862 813662868 /nfs/dbraw/zinc/66/28/68/813662868.db2.gz DDJICSZYSCZKKQ-KBPBESRZSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001266756863 813663663 /nfs/dbraw/zinc/66/36/63/813663663.db2.gz DDJICSZYSCZKKQ-KGLIPLIRSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001266756863 813663668 /nfs/dbraw/zinc/66/36/68/813663668.db2.gz DDJICSZYSCZKKQ-KGLIPLIRSA-N 1 3 338.452 -0.040 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001266876649 813689830 /nfs/dbraw/zinc/68/98/30/813689830.db2.gz CZIDQDGFMGFZKR-CYBMUJFWSA-N 1 3 348.407 -0.525 20 0 EBADHO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001082057840 813743136 /nfs/dbraw/zinc/74/31/36/813743136.db2.gz GCHZXOCBGKEMOE-KFWWJZLASA-N 1 3 329.441 -0.443 20 0 EBADHO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001082057840 813743141 /nfs/dbraw/zinc/74/31/41/813743141.db2.gz GCHZXOCBGKEMOE-KFWWJZLASA-N 1 3 329.441 -0.443 20 0 EBADHO CNC(=O)NC(=O)CN1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001267175414 813777909 /nfs/dbraw/zinc/77/79/09/813777909.db2.gz VDEXPRSSSNIDTE-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)CN1CCCC1 ZINC001267468851 813906410 /nfs/dbraw/zinc/90/64/10/813906410.db2.gz DHWNOMLFXIPXHH-UHFFFAOYSA-N 1 3 331.482 -0.045 20 0 EBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001268099054 814124982 /nfs/dbraw/zinc/12/49/82/814124982.db2.gz XYWANOCJGJJMLU-CYBMUJFWSA-N 1 3 326.441 -0.088 20 0 EBADHO CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268493805 814264662 /nfs/dbraw/zinc/26/46/62/814264662.db2.gz VMHSSHBFMYZVCA-CYBMUJFWSA-N 1 3 329.445 -0.534 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001268576066 814301977 /nfs/dbraw/zinc/30/19/77/814301977.db2.gz UEPSFDNQGVRKLU-AZBIDPCXSA-N 1 3 329.466 -0.223 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268920833 814442774 /nfs/dbraw/zinc/44/27/74/814442774.db2.gz XRULPPWJBKIWAI-CHWSQXEVSA-N 1 3 343.472 -0.145 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001268920914 814443107 /nfs/dbraw/zinc/44/31/07/814443107.db2.gz YWAVDSIVECCJAY-OCCSQVGLSA-N 1 3 326.441 -0.184 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1ccn(-c2ccncc2)n1 ZINC001083633295 814644500 /nfs/dbraw/zinc/64/45/00/814644500.db2.gz QUHSEOVLIHTCMB-CABCVRRESA-N 1 3 331.376 -0.575 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccn(-c2ccncc2)n1 ZINC001083633295 814644510 /nfs/dbraw/zinc/64/45/10/814644510.db2.gz QUHSEOVLIHTCMB-CABCVRRESA-N 1 3 331.376 -0.575 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001269950983 815650804 /nfs/dbraw/zinc/65/08/04/815650804.db2.gz HOAHOTPWVAPBDY-UHFFFAOYSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001270165308 815705986 /nfs/dbraw/zinc/70/59/86/815705986.db2.gz KUORALCDBWUXIG-QWHCGFSZSA-N 1 3 339.440 -0.541 20 0 EBADHO C[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271529339 816134139 /nfs/dbraw/zinc/13/41/39/816134139.db2.gz DYTYUAAXLBFIBQ-RYUDHWBXSA-N 1 3 343.453 -0.672 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087908760 816575771 /nfs/dbraw/zinc/57/57/71/816575771.db2.gz MTUPSMRNELRDOU-OWCLPIDISA-N 1 3 349.479 -0.114 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087908760 816575775 /nfs/dbraw/zinc/57/57/75/816575775.db2.gz MTUPSMRNELRDOU-OWCLPIDISA-N 1 3 349.479 -0.114 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088080808 816618825 /nfs/dbraw/zinc/61/88/25/816618825.db2.gz OCZZDIFDPDGUAQ-QLFBSQMISA-N 1 3 338.452 -0.639 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088080808 816618830 /nfs/dbraw/zinc/61/88/30/816618830.db2.gz OCZZDIFDPDGUAQ-QLFBSQMISA-N 1 3 338.452 -0.639 20 0 EBADHO Cn1cc(CC[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)cn1 ZINC001273322828 816644186 /nfs/dbraw/zinc/64/41/86/816644186.db2.gz JRUCYDAWLPFDOP-HNNXBMFYSA-N 1 3 332.408 -0.255 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088493176 816692030 /nfs/dbraw/zinc/69/20/30/816692030.db2.gz BSZBZLDPJOWXGP-RDBSUJKOSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088493176 816692033 /nfs/dbraw/zinc/69/20/33/816692033.db2.gz BSZBZLDPJOWXGP-RDBSUJKOSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1CCN1C(=O)CCC1=O ZINC001088493176 816692035 /nfs/dbraw/zinc/69/20/35/816692035.db2.gz BSZBZLDPJOWXGP-RDBSUJKOSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CCN1C(=O)CCC1=O ZINC001088493176 816692039 /nfs/dbraw/zinc/69/20/39/816692039.db2.gz BSZBZLDPJOWXGP-RDBSUJKOSA-N 1 3 336.436 -0.191 20 0 EBADHO NC(=O)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892441 816935037 /nfs/dbraw/zinc/93/50/37/816935037.db2.gz JPMHOAXPJKAKGA-XQLPTFJDSA-N 1 3 332.448 -0.264 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC001274572854 817017578 /nfs/dbraw/zinc/01/75/78/817017578.db2.gz OXBAOBYVRJVBGS-AWEZNQCLSA-N 1 3 340.468 -0.450 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001274760636 817084174 /nfs/dbraw/zinc/08/41/74/817084174.db2.gz OHJPZMLTSKPDPX-HZSPNIEDSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001274760636 817084181 /nfs/dbraw/zinc/08/41/81/817084181.db2.gz OHJPZMLTSKPDPX-HZSPNIEDSA-N 1 3 348.513 -0.298 20 0 EBADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4c[nH]c(=O)[nH]c4=O)CC3)[C@H]2C1 ZINC001276110133 817360595 /nfs/dbraw/zinc/36/05/95/817360595.db2.gz BPOYUWZMSVEFPO-RYUDHWBXSA-N 1 3 333.392 -0.470 20 0 EBADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4c[nH]c(=O)[nH]c4=O)CC3)[C@H]2C1 ZINC001276110133 817360604 /nfs/dbraw/zinc/36/06/04/817360604.db2.gz BPOYUWZMSVEFPO-RYUDHWBXSA-N 1 3 333.392 -0.470 20 0 EBADHO COC(=O)CCN1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277872099 817649888 /nfs/dbraw/zinc/64/98/88/817649888.db2.gz PTYXUYRBDRENPV-QGZVFWFLSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940285 817660150 /nfs/dbraw/zinc/66/01/50/817660150.db2.gz GYXMYGHCKJZBGB-KGLIPLIRSA-N 1 3 346.497 -0.542 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001278582734 817783059 /nfs/dbraw/zinc/78/30/59/817783059.db2.gz OWZILTPPUFPOJS-SUMWQHHRSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001279315390 817916031 /nfs/dbraw/zinc/91/60/31/817916031.db2.gz HSXJXAQRSULVAP-BPCQOVAHSA-N 1 3 339.440 -0.543 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001283617651 818882908 /nfs/dbraw/zinc/88/29/08/818882908.db2.gz JXBCAAMKXATLPU-JSGCOSHPSA-N 1 3 341.456 -0.439 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001284031131 819072826 /nfs/dbraw/zinc/07/28/26/819072826.db2.gz IZZNAXKKQGYHAU-KBPBESRZSA-N 1 3 348.513 -0.155 20 0 EBADHO C[C@@H](NCCOCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001284875929 819385587 /nfs/dbraw/zinc/38/55/87/819385587.db2.gz GZUDAJCTKVLXNB-CQSZACIVSA-N 1 3 342.484 -0.131 20 0 EBADHO Cn1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001099987025 819994104 /nfs/dbraw/zinc/99/41/04/819994104.db2.gz SOSOJOMLEJQKJX-GJZGRUSLSA-N 1 3 336.436 -0.612 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C[C@H]1O ZINC001100063669 820144172 /nfs/dbraw/zinc/14/41/72/820144172.db2.gz AWQWXCMIXWVLCX-JKSUJKDBSA-N 1 3 337.468 -0.144 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C[C@H]1O ZINC001100063669 820144176 /nfs/dbraw/zinc/14/41/76/820144176.db2.gz AWQWXCMIXWVLCX-JKSUJKDBSA-N 1 3 337.468 -0.144 20 0 EBADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(CCOCC(F)F)C[C@@H]1O ZINC001100109179 820225390 /nfs/dbraw/zinc/22/53/90/820225390.db2.gz AKPMROXRNCCPLW-STQMWFEESA-N 1 3 335.395 -0.085 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001100343757 820368571 /nfs/dbraw/zinc/36/85/71/820368571.db2.gz RHFOVQKJCSYBAZ-BLYZHGLHSA-N 1 3 331.482 -0.144 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001100343757 820368579 /nfs/dbraw/zinc/36/85/79/820368579.db2.gz RHFOVQKJCSYBAZ-BLYZHGLHSA-N 1 3 331.482 -0.144 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001100442847 820423290 /nfs/dbraw/zinc/42/32/90/820423290.db2.gz ZBSROAYZEXBMIM-YMAMQOFZSA-N 1 3 342.484 -0.036 20 0 EBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001100443436 820423521 /nfs/dbraw/zinc/42/35/21/820423521.db2.gz HNDSGAWRGVOSQB-WXRRBKDZSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100678279 820508467 /nfs/dbraw/zinc/50/84/67/820508467.db2.gz GBHHXMQROSKYII-IYXRBSQSSA-N 1 3 331.482 -0.143 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001100685001 820511498 /nfs/dbraw/zinc/51/14/98/820511498.db2.gz WCXAYRGPIWXGIF-RUXDESIVSA-N 1 3 348.513 -0.250 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100770359 820546741 /nfs/dbraw/zinc/54/67/41/820546741.db2.gz CRFWDESRDKXTOY-UHFFFAOYSA-N 1 3 325.457 -0.162 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001101039284 820661472 /nfs/dbraw/zinc/66/14/72/820661472.db2.gz DUQUQBLKPIXLBC-UHFFFAOYSA-N 1 3 348.513 -0.298 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001101039615 820661700 /nfs/dbraw/zinc/66/17/00/820661700.db2.gz UXVJDFSNKDQQFV-UHFFFAOYSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001293683641 820809217 /nfs/dbraw/zinc/80/92/17/820809217.db2.gz BGUWIWVZBUWXHJ-CABCVRRESA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320773 821069714 /nfs/dbraw/zinc/06/97/14/821069714.db2.gz SLQDOMILPGRESR-GRYCIOLGSA-N 1 3 327.429 -0.794 20 0 EBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103663458 821337658 /nfs/dbraw/zinc/33/76/58/821337658.db2.gz CEKPKIFJUVIBSY-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103663458 821337666 /nfs/dbraw/zinc/33/76/66/821337666.db2.gz CEKPKIFJUVIBSY-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105660444 821789516 /nfs/dbraw/zinc/78/95/16/821789516.db2.gz VDYIGBLXFIJQIO-OMNBBPDLSA-N 1 3 340.468 -0.611 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001317625776 822182808 /nfs/dbraw/zinc/18/28/08/822182808.db2.gz JFABWHTWEUEURM-LSDHHAIUSA-N 1 3 340.468 -0.471 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCOC2)C1 ZINC001317625776 822182813 /nfs/dbraw/zinc/18/28/13/822182813.db2.gz JFABWHTWEUEURM-LSDHHAIUSA-N 1 3 340.468 -0.471 20 0 EBADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001317626065 822183570 /nfs/dbraw/zinc/18/35/70/822183570.db2.gz IRJZQVYWEVOSFZ-CYBMUJFWSA-N 1 3 327.429 -0.828 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCCO ZINC001106453684 822271288 /nfs/dbraw/zinc/27/12/88/822271288.db2.gz RJGVEAKGJLIIQA-HCBPCCMXSA-N 1 3 337.464 -0.084 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001106666491 822308059 /nfs/dbraw/zinc/30/80/59/822308059.db2.gz MJVXGBQCALQISK-YNEHKIRRSA-N 1 3 339.440 -0.793 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(c2cccc(CNCCO)n2)C1 ZINC001128126959 828419063 /nfs/dbraw/zinc/41/90/63/828419063.db2.gz VATZLNKBKGKLJX-OAHLLOKOSA-N 1 3 335.452 -0.190 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129219908 828582224 /nfs/dbraw/zinc/58/22/24/828582224.db2.gz NEUYDMJEBUGUSE-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC1 ZINC001129363580 828604412 /nfs/dbraw/zinc/60/44/12/828604412.db2.gz KACDEBFODYZCIJ-HNNXBMFYSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC1 ZINC001129363580 828604416 /nfs/dbraw/zinc/60/44/16/828604416.db2.gz KACDEBFODYZCIJ-HNNXBMFYSA-N 1 3 338.452 -0.432 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CCC1 ZINC001129358886 828604937 /nfs/dbraw/zinc/60/49/37/828604937.db2.gz XLCPBMOTKKLQEE-CYBMUJFWSA-N 1 3 346.497 -0.542 20 0 EBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363591 828605040 /nfs/dbraw/zinc/60/50/40/828605040.db2.gz KAQHDHWEMQXEQS-TZMCWYRMSA-N 1 3 326.441 -0.530 20 0 EBADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363591 828605045 /nfs/dbraw/zinc/60/50/45/828605045.db2.gz KAQHDHWEMQXEQS-TZMCWYRMSA-N 1 3 326.441 -0.530 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001129423539 828616019 /nfs/dbraw/zinc/61/60/19/828616019.db2.gz URPHCKPKBCTBJB-NWDGAFQWSA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001129423539 828616023 /nfs/dbraw/zinc/61/60/23/828616023.db2.gz URPHCKPKBCTBJB-NWDGAFQWSA-N 1 3 327.429 -0.462 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001129435293 828618536 /nfs/dbraw/zinc/61/85/36/828618536.db2.gz DVEAQAUBMWQYRE-ZFWWWQNUSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1)C1CC1 ZINC001129435563 828619167 /nfs/dbraw/zinc/61/91/67/828619167.db2.gz HKNNJNAWSMIFST-CQSZACIVSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444776 828620347 /nfs/dbraw/zinc/62/03/47/828620347.db2.gz XQBLMEXPKQQDGB-TZMCWYRMSA-N 1 3 331.482 -0.143 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC(=O)NC1CC1 ZINC001129454503 828622629 /nfs/dbraw/zinc/62/26/29/828622629.db2.gz JVNKVRMUSSSWFH-GXFFZTMASA-N 1 3 339.440 -0.591 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001109672494 824583021 /nfs/dbraw/zinc/58/30/21/824583021.db2.gz HIZVCCBJXFDPSP-WCVJEAGWSA-N 1 3 335.452 -0.083 20 0 EBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977718 824638097 /nfs/dbraw/zinc/63/80/97/824638097.db2.gz WNGONYXJBHTOBZ-QPSCCSFWSA-N 1 3 329.441 -0.707 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849627 828681127 /nfs/dbraw/zinc/68/11/27/828681127.db2.gz NWHVDXKWJCGRNM-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849627 828681129 /nfs/dbraw/zinc/68/11/29/828681129.db2.gz NWHVDXKWJCGRNM-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919198 828694038 /nfs/dbraw/zinc/69/40/38/828694038.db2.gz QFGKDROLHHMARA-MCIONIFRSA-N 1 3 338.456 -0.269 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950266 828699302 /nfs/dbraw/zinc/69/93/02/828699302.db2.gz PUYDTNNTNICZJB-KGLIPLIRSA-N 1 3 330.473 -0.180 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950760 828699694 /nfs/dbraw/zinc/69/96/94/828699694.db2.gz ZRAVBFAXYXLSTL-OLZOCXBDSA-N 1 3 343.472 -0.099 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007581 828713691 /nfs/dbraw/zinc/71/36/91/828713691.db2.gz LWNJQHKVAQXASU-KFWWJZLASA-N 1 3 336.440 -0.250 20 0 EBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277529 825044310 /nfs/dbraw/zinc/04/43/10/825044310.db2.gz WNGONYXJBHTOBZ-BARDWOONSA-N 1 3 329.441 -0.707 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173917 828745312 /nfs/dbraw/zinc/74/53/12/828745312.db2.gz VDFQVPCCQDDPMN-UHFFFAOYSA-N 1 3 346.497 -0.493 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CCOC)N(C)C ZINC001130205479 828756294 /nfs/dbraw/zinc/75/62/94/828756294.db2.gz MRQYMERDXHNVKF-CYBMUJFWSA-N 1 3 337.486 -0.516 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001130422140 828830632 /nfs/dbraw/zinc/83/06/32/828830632.db2.gz XYGIWMXLZYBGOU-LLVKDONJSA-N 1 3 341.456 -0.201 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001130422140 828830639 /nfs/dbraw/zinc/83/06/39/828830639.db2.gz XYGIWMXLZYBGOU-LLVKDONJSA-N 1 3 341.456 -0.201 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C ZINC001179763971 833009475 /nfs/dbraw/zinc/00/94/75/833009475.db2.gz RUDRUNKNKHFQFC-JYJNAYRXSA-N 1 3 345.484 -0.069 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)[C@@H]1C ZINC001179857086 833018464 /nfs/dbraw/zinc/01/84/64/833018464.db2.gz RIKGPGIPTNIGON-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)[C@@H]1C ZINC001179857086 833018472 /nfs/dbraw/zinc/01/84/72/833018472.db2.gz RIKGPGIPTNIGON-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179852514 833019590 /nfs/dbraw/zinc/01/95/90/833019590.db2.gz SPHYXJLWHQMBMU-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179852514 833019601 /nfs/dbraw/zinc/01/96/01/833019601.db2.gz SPHYXJLWHQMBMU-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179967573 833029797 /nfs/dbraw/zinc/02/97/97/833029797.db2.gz GLXARXSACIOULG-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779100 826340289 /nfs/dbraw/zinc/34/02/89/826340289.db2.gz XGFWDGQAQTWOPP-FOLVSLTJSA-N 1 3 326.441 -0.863 20 0 EBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(=O)NC(N)=O ZINC001180131374 833045322 /nfs/dbraw/zinc/04/53/22/833045322.db2.gz AWTWMPUEHQHNQA-SRVKXCTJSA-N 1 3 325.413 -0.755 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001115037997 826405652 /nfs/dbraw/zinc/40/56/52/826405652.db2.gz FRKPDWRRUBNDGN-QLPKVWCKSA-N 1 3 341.452 -0.848 20 0 EBADHO CCN(CC)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001115777433 826584076 /nfs/dbraw/zinc/58/40/76/826584076.db2.gz ZSYKPRNPIYPJSU-UHFFFAOYSA-N 1 3 341.456 -0.068 20 0 EBADHO C[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)CN1CCN(C)CC1 ZINC001118149235 826860943 /nfs/dbraw/zinc/86/09/43/826860943.db2.gz AIJYWJRYYNCOTB-SJORKVTESA-N 1 3 327.517 -0.932 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)CC1 ZINC001119423715 827107949 /nfs/dbraw/zinc/10/79/49/827107949.db2.gz QOFMZMKKYVUTRK-UHFFFAOYSA-N 1 3 337.468 -0.778 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001181652815 833171080 /nfs/dbraw/zinc/17/10/80/833171080.db2.gz QSTIZDOGGRYROA-CVEARBPZSA-N 1 3 345.447 -0.018 20 0 EBADHO CN1CCC(O)(C(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)CC1 ZINC001182030730 833195409 /nfs/dbraw/zinc/19/54/09/833195409.db2.gz FYZGSGQJCSXZJH-CQSZACIVSA-N 1 3 335.452 -0.140 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121952739 827490854 /nfs/dbraw/zinc/49/08/54/827490854.db2.gz LWQOESIEAMJGKG-BBRMVZONSA-N 1 3 327.425 -0.509 20 0 EBADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001122242571 827555911 /nfs/dbraw/zinc/55/59/11/827555911.db2.gz JWCDZKKHIVOQFC-UHFFFAOYSA-N 1 3 339.440 -0.462 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)n1 ZINC001182669823 833251800 /nfs/dbraw/zinc/25/18/00/833251800.db2.gz BRMKDWSGFRHCKJ-CQSZACIVSA-N 1 3 348.451 -0.473 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183038619 833277492 /nfs/dbraw/zinc/27/74/92/833277492.db2.gz DXBIHQKOQBISRH-NEPJUHHUSA-N 1 3 325.413 -0.754 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183038619 833277495 /nfs/dbraw/zinc/27/74/95/833277495.db2.gz DXBIHQKOQBISRH-NEPJUHHUSA-N 1 3 325.413 -0.754 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436206 833290675 /nfs/dbraw/zinc/29/06/75/833290675.db2.gz KOEINUGNNMQADT-OCCSQVGLSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183665770 833299778 /nfs/dbraw/zinc/29/97/78/833299778.db2.gz KTULTQAYXSBBCJ-UHFFFAOYSA-N 1 3 328.348 -0.848 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001127082546 828249816 /nfs/dbraw/zinc/24/98/16/828249816.db2.gz UKLQJLOUEVKQAZ-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001127082546 828249824 /nfs/dbraw/zinc/24/98/24/828249824.db2.gz UKLQJLOUEVKQAZ-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255353 828269013 /nfs/dbraw/zinc/26/90/13/828269013.db2.gz IVQQPJUGBJRRAM-GJZGRUSLSA-N 1 3 338.452 -0.575 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCOCC1 ZINC001127255353 828269015 /nfs/dbraw/zinc/26/90/15/828269015.db2.gz IVQQPJUGBJRRAM-GJZGRUSLSA-N 1 3 338.452 -0.575 20 0 EBADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571410 828303640 /nfs/dbraw/zinc/30/36/40/828303640.db2.gz RDVJTKFGMBQSNJ-CFVMTHIKSA-N 1 3 340.468 -0.426 20 0 EBADHO CN(C(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001127562779 828304149 /nfs/dbraw/zinc/30/41/49/828304149.db2.gz PIZDGSPMUNKWKG-UHFFFAOYSA-N 1 3 336.440 -0.615 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001127644085 828309983 /nfs/dbraw/zinc/30/99/83/828309983.db2.gz UGCHVBRTMYACAI-MGPQQGTHSA-N 1 3 326.441 -0.720 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCO[C@H](C)C2)CC[N@H+]1C ZINC001127644085 828309992 /nfs/dbraw/zinc/30/99/92/828309992.db2.gz UGCHVBRTMYACAI-MGPQQGTHSA-N 1 3 326.441 -0.720 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001127695786 828315034 /nfs/dbraw/zinc/31/50/34/828315034.db2.gz YEYJPDGPILEZOF-SOUVJXGZSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001127695786 828315043 /nfs/dbraw/zinc/31/50/43/828315043.db2.gz YEYJPDGPILEZOF-SOUVJXGZSA-N 1 3 340.468 -0.282 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695807 828315565 /nfs/dbraw/zinc/31/55/65/828315565.db2.gz ZNWLSWHTVOEPFH-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695807 828315574 /nfs/dbraw/zinc/31/55/74/828315574.db2.gz ZNWLSWHTVOEPFH-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCCNS(=O)(=O)CC)CC[N@@H+]1C ZINC001127701805 828316995 /nfs/dbraw/zinc/31/69/95/828316995.db2.gz YCABTUKSZBBXCH-QWHCGFSZSA-N 1 3 334.486 -0.638 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCCNS(=O)(=O)CC)CC[N@H+]1C ZINC001127701805 828317005 /nfs/dbraw/zinc/31/70/05/828317005.db2.gz YCABTUKSZBBXCH-QWHCGFSZSA-N 1 3 334.486 -0.638 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777699 828324566 /nfs/dbraw/zinc/32/45/66/828324566.db2.gz BGIZSRIQZJSPPX-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777699 828324576 /nfs/dbraw/zinc/32/45/76/828324576.db2.gz BGIZSRIQZJSPPX-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778889 828328786 /nfs/dbraw/zinc/32/87/86/828328786.db2.gz HSGVOEBHSFSGSR-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778889 828328792 /nfs/dbraw/zinc/32/87/92/828328792.db2.gz HSGVOEBHSFSGSR-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)S(C)(=O)=O ZINC001185230421 833350581 /nfs/dbraw/zinc/35/05/81/833350581.db2.gz RGAVYFXWYOZMNK-CYBMUJFWSA-N 1 3 346.497 -0.590 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)CC1 ZINC001185230643 833350643 /nfs/dbraw/zinc/35/06/43/833350643.db2.gz YFSHCDSVBGWFAN-CQSZACIVSA-N 1 3 338.452 -0.623 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248634 833351455 /nfs/dbraw/zinc/35/14/55/833351455.db2.gz JDEZNCWDQRIMSG-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001185407846 833358029 /nfs/dbraw/zinc/35/80/29/833358029.db2.gz GDHUZSXZDVDKSU-GFCCVEGCSA-N 1 3 325.413 -0.883 20 0 EBADHO O=C(NCC[NH2+]CCOCC(F)F)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520464 829152162 /nfs/dbraw/zinc/15/21/62/829152162.db2.gz YPMZSASFUTZJKO-AVERBVTBSA-N 1 3 333.379 -0.163 20 0 EBADHO CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(N)=O ZINC001131522236 829154301 /nfs/dbraw/zinc/15/43/01/829154301.db2.gz YKCPUNQKFWXOHL-YXXKGXSTSA-N 1 3 338.452 -0.401 20 0 EBADHO COCCN1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692498 829187576 /nfs/dbraw/zinc/18/75/76/829187576.db2.gz HSNKBBZLFFVUQC-RDJZCZTQSA-N 1 3 343.468 -0.097 20 0 EBADHO C[C@@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790317 829217733 /nfs/dbraw/zinc/21/77/33/829217733.db2.gz LHGABWCPBCXDAS-PWSUYJOCSA-N 1 3 325.413 -0.850 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)C(C)C ZINC001186428579 833401244 /nfs/dbraw/zinc/40/12/44/833401244.db2.gz RNULYXCCTFMLOA-TZMCWYRMSA-N 1 3 341.456 -0.262 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280421 829405900 /nfs/dbraw/zinc/40/59/00/829405900.db2.gz IIINOKLNNIJBOM-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)(C(=O)NCCNCC(=O)NC[C@H]1CCOC1)[NH+]1CCCC1 ZINC001132287558 829406709 /nfs/dbraw/zinc/40/67/09/829406709.db2.gz ZQMPUSXLUOGGCS-CQSZACIVSA-N 1 3 340.468 -0.281 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001186554770 833405694 /nfs/dbraw/zinc/40/56/94/833405694.db2.gz GHHMVIJUWPBRME-GFCCVEGCSA-N 1 3 325.413 -0.896 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993277 829569233 /nfs/dbraw/zinc/56/92/33/829569233.db2.gz RHBJGKGSTAZRGS-UHFFFAOYSA-N 1 3 327.429 -0.730 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC1 ZINC001133287676 829616128 /nfs/dbraw/zinc/61/61/28/829616128.db2.gz LUYLHSBEBXVJRY-UHFFFAOYSA-N 1 3 325.413 -0.978 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001133297129 829617815 /nfs/dbraw/zinc/61/78/15/829617815.db2.gz HWNOOFYGMWUKHK-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824575 833431628 /nfs/dbraw/zinc/43/16/28/833431628.db2.gz BCOVVHQQPCCHDK-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824575 833431633 /nfs/dbraw/zinc/43/16/33/833431633.db2.gz BCOVVHQQPCCHDK-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001186824542 833431871 /nfs/dbraw/zinc/43/18/71/833431871.db2.gz AEXKXKJKVBJVFN-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001186824542 833431875 /nfs/dbraw/zinc/43/18/75/833431875.db2.gz AEXKXKJKVBJVFN-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001133851020 829687036 /nfs/dbraw/zinc/68/70/36/829687036.db2.gz UZMPJKIDWZKYNY-CABCVRRESA-N 1 3 343.468 -0.410 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866915 829689537 /nfs/dbraw/zinc/68/95/37/829689537.db2.gz PUDGSBFKZZWSOI-ZFWWWQNUSA-N 1 3 333.436 -0.399 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866915 829689541 /nfs/dbraw/zinc/68/95/41/829689541.db2.gz PUDGSBFKZZWSOI-ZFWWWQNUSA-N 1 3 333.436 -0.399 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133896266 829695279 /nfs/dbraw/zinc/69/52/79/829695279.db2.gz GCRMVLCELLLGDR-GFCCVEGCSA-N 1 3 343.472 -0.096 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O)CC(C)(C)C ZINC001133899758 829696225 /nfs/dbraw/zinc/69/62/25/829696225.db2.gz VZQJUCIQBYSPKS-UHFFFAOYSA-N 1 3 348.513 -0.294 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)N(C)C ZINC001133965609 829707021 /nfs/dbraw/zinc/70/70/21/829707021.db2.gz AYOATRFPCVEVHI-HIFRSBDPSA-N 1 3 331.457 -0.411 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001133968183 829707948 /nfs/dbraw/zinc/70/79/48/829707948.db2.gz QUTBNMSSUZCAQD-NSHDSACASA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H](COCC(=O)NCCNCC(=O)N1CCCC1)[NH+]1CCCC1 ZINC001134021072 829713032 /nfs/dbraw/zinc/71/30/32/829713032.db2.gz QFDVRKUQQQWENR-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO CCCNC(=O)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020890 829713321 /nfs/dbraw/zinc/71/33/21/829713321.db2.gz JPTUXALCCKSVBV-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H](COCC(=O)NCCNCC(=O)N(C)C1CC1)[NH+]1CCCC1 ZINC001134021056 829713682 /nfs/dbraw/zinc/71/36/82/829713682.db2.gz PHCSOZPGSYAYGH-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H](COCC(=O)NCCNCC(=O)NCC1CC1)[NH+]1CCCC1 ZINC001134054408 829718323 /nfs/dbraw/zinc/71/83/23/829718323.db2.gz IHPCUWMXVXUOPP-AWEZNQCLSA-N 1 3 340.468 -0.281 20 0 EBADHO CCN(C)C(=O)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134054675 829719821 /nfs/dbraw/zinc/71/98/21/829719821.db2.gz OVPHGPHRFVAVHH-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CN(C)C1CCC1 ZINC001134606948 829802009 /nfs/dbraw/zinc/80/20/09/829802009.db2.gz BPCZJNLJXTVUKE-STQMWFEESA-N 1 3 348.513 -0.107 20 0 EBADHO C[C@@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134759605 829840866 /nfs/dbraw/zinc/84/08/66/829840866.db2.gz VBCCEVRDWNUDLA-ZDUSSCGKSA-N 1 3 334.486 -0.494 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095939 829897891 /nfs/dbraw/zinc/89/78/91/829897891.db2.gz XEWNWJLZRORAIX-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)S(C)(=O)=O ZINC001135095939 829897894 /nfs/dbraw/zinc/89/78/94/829897894.db2.gz XEWNWJLZRORAIX-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103035 829898256 /nfs/dbraw/zinc/89/82/56/829898256.db2.gz SOADOFCQOCYIHF-KBPBESRZSA-N 1 3 346.497 -0.352 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103035 829898259 /nfs/dbraw/zinc/89/82/59/829898259.db2.gz SOADOFCQOCYIHF-KBPBESRZSA-N 1 3 346.497 -0.352 20 0 EBADHO CCCC[C@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135118782 829900386 /nfs/dbraw/zinc/90/03/86/829900386.db2.gz SJGMXHXFEVUDSM-AWEZNQCLSA-N 1 3 338.456 -0.192 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135341435 829949351 /nfs/dbraw/zinc/94/93/51/829949351.db2.gz WFIDGIWJKKTJJJ-UHFFFAOYSA-N 1 3 335.408 -0.477 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001135513710 829979495 /nfs/dbraw/zinc/97/94/95/829979495.db2.gz VNPUDUPQLGNPPD-CABCVRRESA-N 1 3 331.457 -0.410 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001135513651 829979504 /nfs/dbraw/zinc/97/95/04/829979504.db2.gz SYMXAMJOPJFOAE-UONOGXRCSA-N 1 3 328.457 -0.282 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001135513711 829979911 /nfs/dbraw/zinc/97/99/11/829979911.db2.gz VNPUDUPQLGNPPD-GJZGRUSLSA-N 1 3 331.457 -0.410 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)NCC2CC2)CC1 ZINC001135959030 830051796 /nfs/dbraw/zinc/05/17/96/830051796.db2.gz JPKDRGMZSCMVKA-UHFFFAOYSA-N 1 3 326.441 -0.671 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001211286052 837421721 /nfs/dbraw/zinc/42/17/21/837421721.db2.gz SFZIXZPQYWDIMY-NEPJUHHUSA-N 1 3 327.429 -0.509 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599612 830211886 /nfs/dbraw/zinc/21/18/86/830211886.db2.gz CIWGLYIHEAXJKM-OLZOCXBDSA-N 1 3 336.502 -0.251 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC(C)C ZINC001146710725 830222868 /nfs/dbraw/zinc/22/28/68/830222868.db2.gz LYMYJDVRKFJRMQ-CYBMUJFWSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC(C)C ZINC001146710725 830222872 /nfs/dbraw/zinc/22/28/72/830222872.db2.gz LYMYJDVRKFJRMQ-CYBMUJFWSA-N 1 3 343.472 -0.096 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824763 830416475 /nfs/dbraw/zinc/41/64/75/830416475.db2.gz NPRXBTZCVXFPAK-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147822838 830416596 /nfs/dbraw/zinc/41/65/96/830416596.db2.gz BPOFXDPDSKUUAB-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001147834443 830418147 /nfs/dbraw/zinc/41/81/47/830418147.db2.gz JFFWFRDGHZRFBM-CHWSQXEVSA-N 1 3 334.486 -0.638 20 0 EBADHO CNC(=O)c1cccc(CNCCNC(=O)COCC[NH+](C)C)c1 ZINC001147892481 830427033 /nfs/dbraw/zinc/42/70/33/830427033.db2.gz IPZSLWSFSQDBGX-UHFFFAOYSA-N 1 3 336.436 -0.170 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900264 830428419 /nfs/dbraw/zinc/42/84/19/830428419.db2.gz KYWWBDRMGRTRJG-CYBMUJFWSA-N 1 3 341.456 -0.340 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900264 830428425 /nfs/dbraw/zinc/42/84/25/830428425.db2.gz KYWWBDRMGRTRJG-CYBMUJFWSA-N 1 3 341.456 -0.340 20 0 EBADHO CN(C)c1ccncc1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001148051531 830443956 /nfs/dbraw/zinc/44/39/56/830443956.db2.gz NFVOLZBZVMOIJK-UHFFFAOYSA-N 1 3 349.420 -0.043 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001148577942 830512106 /nfs/dbraw/zinc/51/21/06/830512106.db2.gz KZTXMOKYXPNCAB-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001148577942 830512113 /nfs/dbraw/zinc/51/21/13/830512113.db2.gz KZTXMOKYXPNCAB-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848046 830761921 /nfs/dbraw/zinc/76/19/21/830761921.db2.gz IHVVHPCJFCQIHN-LSDHHAIUSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149848046 830761928 /nfs/dbraw/zinc/76/19/28/830761928.db2.gz IHVVHPCJFCQIHN-LSDHHAIUSA-N 1 3 343.468 -0.315 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001150350778 830870416 /nfs/dbraw/zinc/87/04/16/830870416.db2.gz OHPCEENIWBOSNC-ZNMIVQPWSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCCO1)N(C)C ZINC001150350778 830870426 /nfs/dbraw/zinc/87/04/26/830870426.db2.gz OHPCEENIWBOSNC-ZNMIVQPWSA-N 1 3 331.457 -0.459 20 0 EBADHO COc1nccc(CNCCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001151159861 831037591 /nfs/dbraw/zinc/03/75/91/831037591.db2.gz UTEOWHGMLYGGOY-CYBMUJFWSA-N 1 3 337.424 -0.341 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362429 831060859 /nfs/dbraw/zinc/06/08/59/831060859.db2.gz UAZXCKLVLJLXIJ-UHFFFAOYSA-N 1 3 334.486 -0.493 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001152145614 831133994 /nfs/dbraw/zinc/13/39/94/831133994.db2.gz CMTNGOHHBIJMLC-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)N1CCOCC1 ZINC001152223192 831143285 /nfs/dbraw/zinc/14/32/85/831143285.db2.gz ITQANQCXMNFEML-UHFFFAOYSA-N 1 3 326.441 -0.573 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152237830 831144530 /nfs/dbraw/zinc/14/45/30/831144530.db2.gz XORWPRPUWPXACX-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001152348958 831154210 /nfs/dbraw/zinc/15/42/10/831154210.db2.gz UEAXNXNXFJZFHH-OAHLLOKOSA-N 1 3 340.468 -0.279 20 0 EBADHO CN(CCNCCNC(=O)CC[NH+]1CCCCC1)S(C)(=O)=O ZINC001152340333 831154475 /nfs/dbraw/zinc/15/44/75/831154475.db2.gz MAERLWAMOVVVPZ-UHFFFAOYSA-N 1 3 334.486 -0.540 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152451616 831164175 /nfs/dbraw/zinc/16/41/75/831164175.db2.gz ATOGROPPWDHCAS-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001152473092 831166957 /nfs/dbraw/zinc/16/69/57/831166957.db2.gz VPEKXCVKHGUTOL-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3CCCN3C)C2=O)n1 ZINC001155813683 831432590 /nfs/dbraw/zinc/43/25/90/831432590.db2.gz TWDPBEBOJWLXMD-KGLIPLIRSA-N 1 3 348.451 -0.285 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001155814762 831433218 /nfs/dbraw/zinc/43/32/18/831433218.db2.gz ZQDAUGFCRCDGLF-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521675 831575150 /nfs/dbraw/zinc/57/51/50/831575150.db2.gz IISFBDDCLGXAAX-MRVPVSSYSA-N 1 3 330.314 -0.552 20 0 EBADHO N[C@@H](C(=O)N1CCn2nc(C(F)(F)F)nc2C1)C1CC[NH2+]CC1 ZINC001157521993 831576404 /nfs/dbraw/zinc/57/64/04/831576404.db2.gz NLKJEDZPUBLYDN-SNVBAGLBSA-N 1 3 332.330 -0.034 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720449 831588182 /nfs/dbraw/zinc/58/81/82/831588182.db2.gz JGEQXTSPNVGVTA-UONOGXRCSA-N 1 3 327.425 -0.306 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(c2nccnc2Cl)CC1 ZINC001157873844 831601319 /nfs/dbraw/zinc/60/13/19/831601319.db2.gz KIFSAXODAMCBQF-LLVKDONJSA-N 1 3 336.827 -0.412 20 0 EBADHO N[C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1Cc2ccccc2C1 ZINC001158094052 831626880 /nfs/dbraw/zinc/62/68/80/831626880.db2.gz ZYONJFSQZGCGAL-WMZOPIPTSA-N 1 3 328.416 -0.581 20 0 EBADHO O=C(c1cc2c(s1)CNCC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120077 831629985 /nfs/dbraw/zinc/62/99/85/831629985.db2.gz KYENYTFUEVUXTA-KRWDZBQOSA-N 1 3 346.456 -0.055 20 0 EBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162049 831632829 /nfs/dbraw/zinc/63/28/29/831632829.db2.gz TVJJSHBDRHUPOH-OCCSQVGLSA-N 1 3 327.450 -0.492 20 0 EBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162050 831633301 /nfs/dbraw/zinc/63/33/01/831633301.db2.gz TVJJSHBDRHUPOH-TZMCWYRMSA-N 1 3 327.450 -0.492 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158326928 831647135 /nfs/dbraw/zinc/64/71/35/831647135.db2.gz ASBJBNZMIJYFFV-SOUVJXGZSA-N 1 3 331.420 -0.140 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1=O ZINC001158577299 831667098 /nfs/dbraw/zinc/66/70/98/831667098.db2.gz HDBYUIWPVCSGCT-UPJWGTAASA-N 1 3 326.416 -0.138 20 0 EBADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001159132606 831711421 /nfs/dbraw/zinc/71/14/21/831711421.db2.gz BPKIABKESYITSP-OCCSQVGLSA-N 1 3 331.424 -0.304 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001159155185 831712958 /nfs/dbraw/zinc/71/29/58/831712958.db2.gz KYNOTULXVNKDOB-GFCCVEGCSA-N 1 3 325.450 -0.193 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001159155640 831712865 /nfs/dbraw/zinc/71/28/65/831712865.db2.gz RWRFMZLGMWZNKO-CQSZACIVSA-N 1 3 346.447 -0.379 20 0 EBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997311 831803013 /nfs/dbraw/zinc/80/30/13/831803013.db2.gz LLKKYYMBPMNTKW-HOCLYGCPSA-N 1 3 345.484 -0.021 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160057092 831810390 /nfs/dbraw/zinc/81/03/90/831810390.db2.gz FXIAUPSTFMXNSW-AWEZNQCLSA-N 1 3 343.435 -0.019 20 0 EBADHO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)C4CC[NH2+]CC4)C[C@@H]3C2=O)cn1 ZINC001160216157 831826546 /nfs/dbraw/zinc/82/65/46/831826546.db2.gz AOSGSAKUGNBDKG-QEJZJMRPSA-N 1 3 346.435 -0.832 20 0 EBADHO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160381887 831842657 /nfs/dbraw/zinc/84/26/57/831842657.db2.gz GUKQRMJEYRNFGY-ZDUSSCGKSA-N 1 3 337.472 -0.083 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414832 831846101 /nfs/dbraw/zinc/84/61/01/831846101.db2.gz DJVGUUCTRXTALG-YOEHRIQHSA-N 1 3 346.435 -0.112 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C ZINC001160428271 831847888 /nfs/dbraw/zinc/84/78/88/831847888.db2.gz YJFSXIYNRQQUSW-ZBFHGGJFSA-N 1 3 342.484 -0.179 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C ZINC001160426648 831848988 /nfs/dbraw/zinc/84/89/88/831848988.db2.gz IKCOKSBPKXYRRX-HOCLYGCPSA-N 1 3 342.484 -0.036 20 0 EBADHO O=C(N1CCN(CCc2ccncc2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160489855 831855960 /nfs/dbraw/zinc/85/59/60/831855960.db2.gz GJYGLZBLJQPRAV-IEBWSBKVSA-N 1 3 343.475 -0.033 20 0 EBADHO O=C([C@H]1COC2(CNC2)CN1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780727 831886048 /nfs/dbraw/zinc/88/60/48/831886048.db2.gz UQSIJSWJUSFKIL-MDZRGWNJSA-N 1 3 342.443 -0.684 20 0 EBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001160806120 831889593 /nfs/dbraw/zinc/88/95/93/831889593.db2.gz LTYLIAHCDKVWQQ-HNNXBMFYSA-N 1 3 349.435 -0.229 20 0 EBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160823488 831891036 /nfs/dbraw/zinc/89/10/36/831891036.db2.gz HGJRTNXIZKQEON-AAEUAGOBSA-N 1 3 333.392 -0.792 20 0 EBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001160901124 831904682 /nfs/dbraw/zinc/90/46/82/831904682.db2.gz AITDZJJYIDPWCV-LBPRGKRZSA-N 1 3 347.419 -0.114 20 0 EBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001160901124 831904687 /nfs/dbraw/zinc/90/46/87/831904687.db2.gz AITDZJJYIDPWCV-LBPRGKRZSA-N 1 3 347.419 -0.114 20 0 EBADHO O=C(c1ccncc1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160937283 831908269 /nfs/dbraw/zinc/90/82/69/831908269.db2.gz VTYLWDLTKMNKNU-CRAIPNDOSA-N 1 3 343.431 -0.435 20 0 EBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CCCCNC(C)=O ZINC001161158662 831933932 /nfs/dbraw/zinc/93/39/32/831933932.db2.gz LDIXGOGDBHRXGL-ZDUSSCGKSA-N 1 3 330.429 -0.639 20 0 EBADHO COc1cc(C)nc(N(C(=O)[C@H]2CNCCN2)C2CC[NH2+]CC2)n1 ZINC001161309498 831947312 /nfs/dbraw/zinc/94/73/12/831947312.db2.gz RCRGNDNFRWIDLX-CYBMUJFWSA-N 1 3 334.424 -0.560 20 0 EBADHO CC(C)N(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)[C@H]1CC[NH2+]C1 ZINC001161352397 831950688 /nfs/dbraw/zinc/95/06/88/831950688.db2.gz VVNQKOQKQQVKNX-KBPBESRZSA-N 1 3 348.451 -0.087 20 0 EBADHO CC(C)C[C@H](NC(=O)CN)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381262 831951780 /nfs/dbraw/zinc/95/17/80/831951780.db2.gz WYCYDNCWEUWIHH-CABCVRRESA-N 1 3 339.484 -0.500 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCn2ncc(Br)c2C1 ZINC001161523876 831969152 /nfs/dbraw/zinc/96/91/52/831969152.db2.gz RPQHPCQKYFGFAU-VIFPVBQESA-N 1 3 340.225 -0.203 20 0 EBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001161602259 831977202 /nfs/dbraw/zinc/97/72/02/831977202.db2.gz VOPHUJFJQKQDLS-CYBMUJFWSA-N 1 3 335.408 -0.234 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601504 831977354 /nfs/dbraw/zinc/97/73/54/831977354.db2.gz HBOKYQORCJQAKN-MELADBBJSA-N 1 3 326.416 -0.933 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872619 832069669 /nfs/dbraw/zinc/06/96/69/832069669.db2.gz YKKQFDFNPVLSGG-SMOJQAGNSA-N 1 3 338.452 -0.578 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872621 832069805 /nfs/dbraw/zinc/06/98/05/832069805.db2.gz YKKQFDFNPVLSGG-ZBUZPQQSSA-N 1 3 338.452 -0.578 20 0 EBADHO CN(c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)S(=O)(=O)CCN ZINC001164296715 832182911 /nfs/dbraw/zinc/18/29/11/832182911.db2.gz MPCZDFVUKYZSMR-ZDUSSCGKSA-N 1 3 338.433 -0.438 20 0 EBADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CCC1 ZINC001165465234 832220812 /nfs/dbraw/zinc/22/08/12/832220812.db2.gz YWVKTUQNHSJFLF-UHFFFAOYSA-N 1 3 339.440 -0.458 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001166010914 832246122 /nfs/dbraw/zinc/24/61/22/832246122.db2.gz VIMFORYGMSXXRI-HUUCEWRRSA-N 1 3 325.457 -0.074 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010652 832246210 /nfs/dbraw/zinc/24/62/10/832246210.db2.gz RLNIGHDOSSLDBM-CYBMUJFWSA-N 1 3 336.502 -0.392 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166627175 832274406 /nfs/dbraw/zinc/27/44/06/832274406.db2.gz RMMCOCVFDLVLJG-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627014 832274598 /nfs/dbraw/zinc/27/45/98/832274598.db2.gz NZEAYLCONGWWKV-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668106 832277294 /nfs/dbraw/zinc/27/72/94/832277294.db2.gz RAWARDXSWLOJIW-LBPRGKRZSA-N 1 3 327.429 -0.730 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001166668055 832277603 /nfs/dbraw/zinc/27/76/03/832277603.db2.gz PSCLPSLBYGMPAI-CQSZACIVSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001166678575 832280054 /nfs/dbraw/zinc/28/00/54/832280054.db2.gz WNBQHAYVEGXKFT-KGLIPLIRSA-N 1 3 331.482 -0.141 20 0 EBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001166765090 832286416 /nfs/dbraw/zinc/28/64/16/832286416.db2.gz QXCPLXFWDUVQMZ-UHFFFAOYSA-N 1 3 325.457 -0.161 20 0 EBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001166765417 832286438 /nfs/dbraw/zinc/28/64/38/832286438.db2.gz ZUNYZUXLFACFPA-UHFFFAOYSA-N 1 3 340.468 -0.327 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765154 832286496 /nfs/dbraw/zinc/28/64/96/832286496.db2.gz URKWAQHBLPTCJY-OAHLLOKOSA-N 1 3 345.484 -0.162 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C ZINC001166865537 832294532 /nfs/dbraw/zinc/29/45/32/832294532.db2.gz GKSGJWCAGBHBKO-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](COCC(=O)NCCCNCc1cnnn1C)[NH+]1CCCC1 ZINC001166931924 832300122 /nfs/dbraw/zinc/30/01/22/832300122.db2.gz ZPAXNVPAGGTYLX-CQSZACIVSA-N 1 3 338.456 -0.088 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001167636683 832361469 /nfs/dbraw/zinc/36/14/69/832361469.db2.gz XZLLUSLLYKTJGO-QWHCGFSZSA-N 1 3 341.456 -0.071 20 0 EBADHO CCN1CCN(CCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583134 832434226 /nfs/dbraw/zinc/43/42/26/832434226.db2.gz ROGODDMEDKQSFZ-HNNXBMFYSA-N 1 3 339.484 -0.673 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001168755594 832434422 /nfs/dbraw/zinc/43/44/22/832434422.db2.gz ODLCCXFEBWMELR-AWEZNQCLSA-N 1 3 348.513 -0.294 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001353698004 832441129 /nfs/dbraw/zinc/44/11/29/832441129.db2.gz BKRHFFGEZZFNBB-AWEZNQCLSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[NH+]1CCC(NCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1 ZINC001169233555 832452769 /nfs/dbraw/zinc/45/27/69/832452769.db2.gz TWTPPJXXUPUJKM-UHFFFAOYSA-N 1 3 337.424 -0.553 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)CCC ZINC001171757237 832574921 /nfs/dbraw/zinc/57/49/21/832574921.db2.gz GGUHBFULLJPGJY-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)CN)CCN1C(=O)c1ccccc1 ZINC001173490459 832584698 /nfs/dbraw/zinc/58/46/98/832584698.db2.gz LKHUPSVKDXDEPU-KFWWJZLASA-N 1 3 335.404 -0.258 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174682290 832593802 /nfs/dbraw/zinc/59/38/02/832593802.db2.gz JJQDDTCSRXPKHV-UHFFFAOYSA-N 1 3 345.469 -0.314 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001174682721 832594338 /nfs/dbraw/zinc/59/43/38/832594338.db2.gz LHCCGTBTIHSUQN-GFCCVEGCSA-N 1 3 328.438 -0.209 20 0 EBADHO C[C@H](NCCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049162 832654047 /nfs/dbraw/zinc/65/40/47/832654047.db2.gz JJYQBEHBFIKIJK-STQMWFEESA-N 1 3 334.424 -0.149 20 0 EBADHO C[C@H](NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049162 832654054 /nfs/dbraw/zinc/65/40/54/832654054.db2.gz JJYQBEHBFIKIJK-STQMWFEESA-N 1 3 334.424 -0.149 20 0 EBADHO CCn1ncc(C[NH2+]CCCNC(=O)[C@H](C)CN2CCOCC2)n1 ZINC001176168604 832661342 /nfs/dbraw/zinc/66/13/42/832661342.db2.gz FHTUBIBXKFWDTO-CQSZACIVSA-N 1 3 338.456 -0.138 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001176986667 832726166 /nfs/dbraw/zinc/72/61/66/832726166.db2.gz SCRRZGNXOIRTNK-ZDUSSCGKSA-N 1 3 343.472 -0.985 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176992714 832727617 /nfs/dbraw/zinc/72/76/17/832727617.db2.gz YNYQCTAWENDWIO-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001176992783 832727629 /nfs/dbraw/zinc/72/76/29/832727629.db2.gz ZYUALKDEBPWLTF-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176992541 832727670 /nfs/dbraw/zinc/72/76/70/832727670.db2.gz SVPDZSNATMCRMI-CQSZACIVSA-N 1 3 325.457 -0.018 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178926548 832931576 /nfs/dbraw/zinc/93/15/76/832931576.db2.gz YYCSGHULARHYJM-XQQFMLRXSA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001178926548 832931577 /nfs/dbraw/zinc/93/15/77/832931577.db2.gz YYCSGHULARHYJM-XQQFMLRXSA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]2C)C1 ZINC001179539169 832986093 /nfs/dbraw/zinc/98/60/93/832986093.db2.gz PZEGJGAETKNUFB-RDBSUJKOSA-N 1 3 346.497 -0.544 20 0 EBADHO CC(C)[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115794 833902475 /nfs/dbraw/zinc/90/24/75/833902475.db2.gz UDFBYYKKRFKNFH-HUUCEWRRSA-N 1 3 342.484 -0.084 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001187321483 833919711 /nfs/dbraw/zinc/91/97/11/833919711.db2.gz AEEOFYARCRUOQL-OAHLLOKOSA-N 1 3 328.457 -0.329 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921279 833983649 /nfs/dbraw/zinc/98/36/49/833983649.db2.gz CCAXAVUISUJDKU-CYBMUJFWSA-N 1 3 339.440 -0.362 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001188158017 834016587 /nfs/dbraw/zinc/01/65/87/834016587.db2.gz DAUYVSPVAKCVGO-CYBMUJFWSA-N 1 3 334.486 -0.592 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158284 834018223 /nfs/dbraw/zinc/01/82/23/834018223.db2.gz KEAGGOVGIDVRDG-NWDGAFQWSA-N 1 3 327.429 -0.639 20 0 EBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221523 834246794 /nfs/dbraw/zinc/24/67/94/834246794.db2.gz DDIKZINZVVTVCU-CVEARBPZSA-N 1 3 325.453 -0.130 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190363182 834262302 /nfs/dbraw/zinc/26/23/02/834262302.db2.gz DTTFGGCOUMNQNA-BFHYXJOUSA-N 1 3 336.436 -0.336 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190363182 834262309 /nfs/dbraw/zinc/26/23/09/834262309.db2.gz DTTFGGCOUMNQNA-BFHYXJOUSA-N 1 3 336.436 -0.336 20 0 EBADHO CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169610 834619243 /nfs/dbraw/zinc/61/92/43/834619243.db2.gz BGMBVLHYFMHJBF-HNNXBMFYSA-N 1 3 328.457 -0.377 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 ZINC001193289943 834826564 /nfs/dbraw/zinc/82/65/64/834826564.db2.gz CBQQECZGZRTFSM-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 ZINC001193289943 834826570 /nfs/dbraw/zinc/82/65/70/834826570.db2.gz CBQQECZGZRTFSM-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC001193280236 834827807 /nfs/dbraw/zinc/82/78/07/834827807.db2.gz VBAANEFVNPQUBO-CYBMUJFWSA-N 1 3 339.440 -0.587 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC001193280236 834827813 /nfs/dbraw/zinc/82/78/13/834827813.db2.gz VBAANEFVNPQUBO-CYBMUJFWSA-N 1 3 339.440 -0.587 20 0 EBADHO COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040790 835006727 /nfs/dbraw/zinc/00/67/27/835006727.db2.gz SJPNBLVDVUUJRC-HOTGVXAUSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040790 835006738 /nfs/dbraw/zinc/00/67/38/835006738.db2.gz SJPNBLVDVUUJRC-HOTGVXAUSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOC[C@@H](O)CN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970410 835490034 /nfs/dbraw/zinc/49/00/34/835490034.db2.gz CNSSJGHNYFGTPP-INIZCTEOSA-N 1 3 345.484 -0.114 20 0 EBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320317 835537690 /nfs/dbraw/zinc/53/76/90/835537690.db2.gz XLYRPUCLKOOSFV-HZPDHXFCSA-N 1 3 343.468 -0.315 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198699128 835711425 /nfs/dbraw/zinc/71/14/25/835711425.db2.gz KFCGJEFAADRDQU-BZUAXINKSA-N 1 3 343.468 -0.459 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001198699128 835711430 /nfs/dbraw/zinc/71/14/30/835711430.db2.gz KFCGJEFAADRDQU-BZUAXINKSA-N 1 3 343.468 -0.459 20 0 EBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200658226 836011299 /nfs/dbraw/zinc/01/12/99/836011299.db2.gz IPTYENLFLQOQOH-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001200852137 836047666 /nfs/dbraw/zinc/04/76/66/836047666.db2.gz WANGZHYUMFYUKN-CABCVRRESA-N 1 3 345.484 -0.069 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1)C(N)=O ZINC001200887137 836060571 /nfs/dbraw/zinc/06/05/71/836060571.db2.gz IDXYOVNDBBIAFU-ZIAGYGMSSA-N 1 3 338.452 -0.304 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201033523 836083605 /nfs/dbraw/zinc/08/36/05/836083605.db2.gz OBMGXQUKZJVCNP-DGNOSDGRSA-N 1 3 339.436 -0.951 20 0 EBADHO CC[C@H](NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201259514 836119116 /nfs/dbraw/zinc/11/91/16/836119116.db2.gz ARUJKAHYQBXJSJ-KGLIPLIRSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262042 836119741 /nfs/dbraw/zinc/11/97/41/836119741.db2.gz ROUVZJMNNUWCKV-QWHCGFSZSA-N 1 3 326.441 -0.591 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277619 836121743 /nfs/dbraw/zinc/12/17/43/836121743.db2.gz VVNLCNOSWNBGBD-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@H](NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309901 836126807 /nfs/dbraw/zinc/12/68/07/836126807.db2.gz URRQHIGACGQZPW-CABCVRRESA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC1CC1 ZINC001201317141 836128882 /nfs/dbraw/zinc/12/88/82/836128882.db2.gz FYWKXKYYADNXIH-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)CCCO1 ZINC001201402130 836139998 /nfs/dbraw/zinc/13/99/98/836139998.db2.gz BCUZZGDDHKWRMS-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201403430 836141187 /nfs/dbraw/zinc/14/11/87/836141187.db2.gz LOUPASBSFQHTRT-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001201410185 836142468 /nfs/dbraw/zinc/14/24/68/836142468.db2.gz CJQUKANAVZKAKK-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO C[C@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001201557040 836159534 /nfs/dbraw/zinc/15/95/34/836159534.db2.gz CCJJZNSLKYECHD-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CCCO1)C(N)=O ZINC001201677776 836174178 /nfs/dbraw/zinc/17/41/78/836174178.db2.gz DCKYYJWDUBUJNY-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CCCO1)C(N)=O ZINC001201677777 836174286 /nfs/dbraw/zinc/17/42/86/836174286.db2.gz DCKYYJWDUBUJNY-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001201800014 836192698 /nfs/dbraw/zinc/19/26/98/836192698.db2.gz AHMYIDRPZIUMNM-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001201800014 836192701 /nfs/dbraw/zinc/19/27/01/836192701.db2.gz AHMYIDRPZIUMNM-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863376 836207991 /nfs/dbraw/zinc/20/79/91/836207991.db2.gz LXANWUGSDHTEDS-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863376 836207998 /nfs/dbraw/zinc/20/79/98/836207998.db2.gz LXANWUGSDHTEDS-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201931570 836217688 /nfs/dbraw/zinc/21/76/88/836217688.db2.gz MSFPDWBSFOZHBR-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201932147 836217946 /nfs/dbraw/zinc/21/79/46/836217946.db2.gz RZAHIWRUXXBSTF-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059888 836244072 /nfs/dbraw/zinc/24/40/72/836244072.db2.gz SJGKJNLLERYRNQ-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059888 836244079 /nfs/dbraw/zinc/24/40/79/836244079.db2.gz SJGKJNLLERYRNQ-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001202496796 836307675 /nfs/dbraw/zinc/30/76/75/836307675.db2.gz YVOKPOKHBIUNOA-NWDGAFQWSA-N 1 3 339.440 -0.365 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496242 836308194 /nfs/dbraw/zinc/30/81/94/836308194.db2.gz QQAIPOGWQUCQEV-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202496530 836309101 /nfs/dbraw/zinc/30/91/01/836309101.db2.gz UUEXZWQYBSSMOS-NSHDSACASA-N 1 3 325.413 -0.754 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202674867 836335076 /nfs/dbraw/zinc/33/50/76/836335076.db2.gz UOVZHBPINLQJOO-JTQLQIEISA-N 1 3 336.396 -0.623 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001203005117 836380885 /nfs/dbraw/zinc/38/08/85/836380885.db2.gz LLVYIOUBOAZHIF-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCNS(=O)(=O)CC)CC1 ZINC001203010101 836383141 /nfs/dbraw/zinc/38/31/41/836383141.db2.gz GPHOKUPKFOZENB-UHFFFAOYSA-N 1 3 348.513 -0.152 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203520997 836441817 /nfs/dbraw/zinc/44/18/17/836441817.db2.gz HSEXEAXYGHUQNC-NWDGAFQWSA-N 1 3 339.440 -0.460 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799039 836530131 /nfs/dbraw/zinc/53/01/31/836530131.db2.gz QSSQJMKJXXZOEW-CYBMUJFWSA-N 1 3 339.440 -0.636 20 0 EBADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(=O)NC)CC1)N(C)C ZINC001206301275 836638358 /nfs/dbraw/zinc/63/83/58/836638358.db2.gz MGDWCCOPCKUHDY-ZDUSSCGKSA-N 1 3 341.456 -0.390 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687860 836844939 /nfs/dbraw/zinc/84/49/39/836844939.db2.gz JIFPAPLNBPCBNJ-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001207685088 836845865 /nfs/dbraw/zinc/84/58/65/836845865.db2.gz WIDDELZOUHCYBR-STQMWFEESA-N 1 3 332.470 -0.790 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063673 836938541 /nfs/dbraw/zinc/93/85/41/836938541.db2.gz RSGXHGSKYCQYRS-OLZOCXBDSA-N 1 3 337.424 -0.896 20 0 EBADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001208340464 836999564 /nfs/dbraw/zinc/99/95/64/836999564.db2.gz MBKNBMWMTWIBEG-ZDUSSCGKSA-N 1 3 346.497 -0.400 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001208414796 837027343 /nfs/dbraw/zinc/02/73/43/837027343.db2.gz YBWKNLILQPRCON-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304595 837154395 /nfs/dbraw/zinc/15/43/95/837154395.db2.gz SUSAFQHQLUVKAB-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001209669347 837188340 /nfs/dbraw/zinc/18/83/40/837188340.db2.gz PFMRNHFQYGHIFA-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001209670308 837188729 /nfs/dbraw/zinc/18/87/29/837188729.db2.gz YBWKNLILQPRCON-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001210676120 837319217 /nfs/dbraw/zinc/31/92/17/837319217.db2.gz CMWABCXMQUZQQJ-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210751151 837328030 /nfs/dbraw/zinc/32/80/30/837328030.db2.gz ULGQXUSXCGSSFW-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001324129135 839595936 /nfs/dbraw/zinc/59/59/36/839595936.db2.gz KMXBYUYVHWUNPC-STQMWFEESA-N 1 3 337.424 -0.787 20 0 EBADHO Cn1cncc1CNCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001326024394 840006665 /nfs/dbraw/zinc/00/66/65/840006665.db2.gz TZFKAJKYEWMCJV-MRXNPFEDSA-N 1 3 335.452 -0.328 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001327078553 840293490 /nfs/dbraw/zinc/29/34/90/840293490.db2.gz FHJQPJNPOUIGNA-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2CNCCO2)CC1 ZINC001327471084 840428707 /nfs/dbraw/zinc/42/87/07/840428707.db2.gz IBVUEFDDTFCDNN-CQSZACIVSA-N 1 3 341.456 -0.735 20 0 EBADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001327498110 840436686 /nfs/dbraw/zinc/43/66/86/840436686.db2.gz JJYXBXFRIRRRCH-DZGCQCFKSA-N 1 3 338.452 -0.447 20 0 EBADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001327534098 840447818 /nfs/dbraw/zinc/44/78/18/840447818.db2.gz YNWGVALNQSHOSG-RHSMWYFYSA-N 1 3 338.452 -0.447 20 0 EBADHO CN(CC(=O)NC1CC(C[NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC001328870044 840774046 /nfs/dbraw/zinc/77/40/46/840774046.db2.gz YBEZZPHHGQSTTJ-UHFFFAOYSA-N 1 3 337.468 -0.020 20 0 EBADHO O=C(NC[C@H]1COCCN1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001328959153 840798895 /nfs/dbraw/zinc/79/88/95/840798895.db2.gz JXHLDXCKOBCMMJ-NSHDSACASA-N 1 3 330.348 -0.690 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201480 840872780 /nfs/dbraw/zinc/87/27/80/840872780.db2.gz CKQIPJWGZZBLON-NWDGAFQWSA-N 1 3 327.429 -0.639 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001330709334 841262189 /nfs/dbraw/zinc/26/21/89/841262189.db2.gz UVMIACCHHPWXTQ-JOCQHMNTSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001331512301 841419214 /nfs/dbraw/zinc/41/92/14/841419214.db2.gz BXAXJAYRLROQSJ-LXTVHRRPSA-N 1 3 342.484 -0.134 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001332045027 841558219 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COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001349624257 843922764 /nfs/dbraw/zinc/92/27/64/843922764.db2.gz AHSVRFBYTBWTBM-YOEHRIQHSA-N 1 3 340.468 -0.342 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001691364967 1125853973 /nfs/dbraw/zinc/85/39/73/1125853973.db2.gz LJCBJVBSGXEMFG-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001481231530 1125948608 /nfs/dbraw/zinc/94/86/08/1125948608.db2.gz FIUVTGMAQCWCGP-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCOCC2)CC[N@H+]1C ZINC001481231530 1125948609 /nfs/dbraw/zinc/94/86/09/1125948609.db2.gz FIUVTGMAQCWCGP-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481277568 1125962640 /nfs/dbraw/zinc/96/26/40/1125962640.db2.gz TYKONCRLOFMDLA-CHWSQXEVSA-N 1 3 343.472 -0.145 20 0 EBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001481320347 1125973766 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XBIMETPLYXNCHL-HIFRSBDPSA-N 1 3 340.468 -0.546 20 0 EBADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482730335 1126269309 /nfs/dbraw/zinc/26/93/09/1126269309.db2.gz XBIMETPLYXNCHL-HIFRSBDPSA-N 1 3 340.468 -0.546 20 0 EBADHO CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001482737151 1126271707 /nfs/dbraw/zinc/27/17/07/1126271707.db2.gz GMWSZVIRQVQUBU-ZDUSSCGKSA-N 1 3 328.457 -0.596 20 0 EBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001482747615 1126276893 /nfs/dbraw/zinc/27/68/93/1126276893.db2.gz LMWVAIJREIMFPS-HNNXBMFYSA-N 1 3 333.436 -0.020 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001482761151 1126279859 /nfs/dbraw/zinc/27/98/59/1126279859.db2.gz HFDVWLJAPQHYCQ-SGMGOOAPSA-N 1 3 326.441 -0.938 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001482761151 1126279861 /nfs/dbraw/zinc/27/98/61/1126279861.db2.gz HFDVWLJAPQHYCQ-SGMGOOAPSA-N 1 3 326.441 -0.938 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762353 1126280589 /nfs/dbraw/zinc/28/05/89/1126280589.db2.gz OSNYYUOLQSEBNX-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762353 1126280592 /nfs/dbraw/zinc/28/05/92/1126280592.db2.gz OSNYYUOLQSEBNX-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001648990196 1126317757 /nfs/dbraw/zinc/31/77/57/1126317757.db2.gz IZZMVBVEBPTJFH-KRWDZBQOSA-N 1 3 337.468 -0.019 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001409268865 1126328278 /nfs/dbraw/zinc/32/82/78/1126328278.db2.gz AWSOPGOOJCOYDC-WXRRBKDZSA-N 1 3 341.456 -0.343 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001483128638 1126338417 /nfs/dbraw/zinc/33/84/17/1126338417.db2.gz IKOLJOACTZPOOA-GRYCIOLGSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(=O)NC)CC[N@H+]1C ZINC001483128638 1126338418 /nfs/dbraw/zinc/33/84/18/1126338418.db2.gz IKOLJOACTZPOOA-GRYCIOLGSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001483198007 1126352650 /nfs/dbraw/zinc/35/26/50/1126352650.db2.gz UHMCSENNQWOIDF-GFCCVEGCSA-N 1 3 339.440 -0.982 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483236687 1126383950 /nfs/dbraw/zinc/38/39/50/1126383950.db2.gz PKWQVWWRIUJUMJ-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483236687 1126383951 /nfs/dbraw/zinc/38/39/51/1126383951.db2.gz PKWQVWWRIUJUMJ-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001483742023 1126467562 /nfs/dbraw/zinc/46/75/62/1126467562.db2.gz DWHKCNPENLYIDU-QWHCGFSZSA-N 1 3 336.436 -0.096 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001483742023 1126467563 /nfs/dbraw/zinc/46/75/63/1126467563.db2.gz DWHKCNPENLYIDU-QWHCGFSZSA-N 1 3 336.436 -0.096 20 0 EBADHO CNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484242698 1126538630 /nfs/dbraw/zinc/53/86/30/1126538630.db2.gz KZLTXTAZWHHZBC-WMLDXEAASA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339637 1126564034 /nfs/dbraw/zinc/56/40/34/1126564034.db2.gz YTWSYRLPVYYGTG-NWDGAFQWSA-N 1 3 339.440 -0.508 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001484491482 1126594124 /nfs/dbraw/zinc/59/41/24/1126594124.db2.gz RLZCBJJLWLKFEQ-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001484491482 1126594126 /nfs/dbraw/zinc/59/41/26/1126594126.db2.gz RLZCBJJLWLKFEQ-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001484493931 1126596948 /nfs/dbraw/zinc/59/69/48/1126596948.db2.gz MWOWZFIGQXWBKI-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO C[NH+]1CCC(CC(=O)N(CCO)CCN[C@@H]2CCCNC2=O)CC1 ZINC001484495367 1126597517 /nfs/dbraw/zinc/59/75/17/1126597517.db2.gz KKOAMPYSCUIOCI-OAHLLOKOSA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCC(=O)NCC)C1 ZINC001484678319 1126618859 /nfs/dbraw/zinc/61/88/59/1126618859.db2.gz KPENFQJJLOMABI-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCC(=O)NCC)C1 ZINC001484678319 1126618860 /nfs/dbraw/zinc/61/88/60/1126618860.db2.gz KPENFQJJLOMABI-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692905 1126619966 /nfs/dbraw/zinc/61/99/66/1126619966.db2.gz PWWCQZYBANAULA-GJZGRUSLSA-N 1 3 336.440 -0.563 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484695784 1126624731 /nfs/dbraw/zinc/62/47/31/1126624731.db2.gz IRSVTWYAOGXAAM-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001484695784 1126624732 /nfs/dbraw/zinc/62/47/32/1126624732.db2.gz IRSVTWYAOGXAAM-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](C(=O)NC1(C[NH2+]CCn2cncn2)CCOCC1)N(C)C ZINC001484871083 1126647561 /nfs/dbraw/zinc/64/75/61/1126647561.db2.gz RRONJSRJAJLCJM-CQSZACIVSA-N 1 3 338.456 -0.127 20 0 EBADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1 ZINC001484873061 1126648124 /nfs/dbraw/zinc/64/81/24/1126648124.db2.gz TVTAHVSKEHJCQJ-CQSZACIVSA-N 1 3 340.468 -0.140 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(CNCC(=O)N3CCC3)CC2)C1 ZINC001484964914 1126657328 /nfs/dbraw/zinc/65/73/28/1126657328.db2.gz WSZFVDQNQLEHKS-AWEZNQCLSA-N 1 3 338.452 -0.887 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNCC(=O)N3CCC3)CC2)C1 ZINC001484964914 1126657329 /nfs/dbraw/zinc/65/73/29/1126657329.db2.gz WSZFVDQNQLEHKS-AWEZNQCLSA-N 1 3 338.452 -0.887 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001485108761 1126675566 /nfs/dbraw/zinc/67/55/66/1126675566.db2.gz IRNKHVXBCBMRJZ-UHFFFAOYSA-N 1 3 347.419 -0.106 20 0 EBADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)CCN1C(=O)NC(C)(C)C1=O ZINC001485347206 1126691745 /nfs/dbraw/zinc/69/17/45/1126691745.db2.gz GGJRNLIOVTWGOO-LBPRGKRZSA-N 1 3 341.456 -0.295 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647257 1126789757 /nfs/dbraw/zinc/78/97/57/1126789757.db2.gz AEMGMUAFYYIVNX-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955224 1126921344 /nfs/dbraw/zinc/92/13/44/1126921344.db2.gz HTASBEJYDPHNGL-VXGBXAGGSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001485955224 1126921347 /nfs/dbraw/zinc/92/13/47/1126921347.db2.gz HTASBEJYDPHNGL-VXGBXAGGSA-N 1 3 339.440 -0.637 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062611 1127013113 /nfs/dbraw/zinc/01/31/13/1127013113.db2.gz XMUFIXOSKNEENK-CHWSQXEVSA-N 1 3 343.472 -0.898 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCNC(=O)NC(C)(C)C)C1 ZINC001486062611 1127013115 /nfs/dbraw/zinc/01/31/15/1127013115.db2.gz XMUFIXOSKNEENK-CHWSQXEVSA-N 1 3 343.472 -0.898 20 0 EBADHO Cn1ccc(CN[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001486051984 1127020947 /nfs/dbraw/zinc/02/09/47/1127020947.db2.gz APGLKYHUWLWEOS-AWEZNQCLSA-N 1 3 334.420 -0.952 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486086213 1127029283 /nfs/dbraw/zinc/02/92/83/1127029283.db2.gz UOQVOBMEJXKXAP-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125809 1127037732 /nfs/dbraw/zinc/03/77/32/1127037732.db2.gz BSJUUDKQROWJAG-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486125809 1127037737 /nfs/dbraw/zinc/03/77/37/1127037737.db2.gz BSJUUDKQROWJAG-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284351 1127081121 /nfs/dbraw/zinc/08/11/21/1127081121.db2.gz HGWPTOYVUNEZQI-KGLIPLIRSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)c1nc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001486317338 1127119566 /nfs/dbraw/zinc/11/95/66/1127119566.db2.gz NUICZIDBTVOCTD-CHWSQXEVSA-N 1 3 338.456 -0.211 20 0 EBADHO CC(C)c1nc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001486317338 1127119568 /nfs/dbraw/zinc/11/95/68/1127119568.db2.gz NUICZIDBTVOCTD-CHWSQXEVSA-N 1 3 338.456 -0.211 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410113194 1127577518 /nfs/dbraw/zinc/57/75/18/1127577518.db2.gz QIPVGFNSSPMPOD-UONOGXRCSA-N 1 3 349.435 -0.804 20 0 EBADHO C[C@@H](CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001410740868 1127854863 /nfs/dbraw/zinc/85/48/63/1127854863.db2.gz XZIBRRWULGYJRF-JSGCOSHPSA-N 1 3 349.497 -0.924 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835151 1128355959 /nfs/dbraw/zinc/35/59/59/1128355959.db2.gz OGESERQCCUIADY-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001487998108 1128534216 /nfs/dbraw/zinc/53/42/16/1128534216.db2.gz NRBNUADYBWGHHD-HNNXBMFYSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001488370088 1128707903 /nfs/dbraw/zinc/70/79/03/1128707903.db2.gz NJZANNAMUZFQAI-KGLIPLIRSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001488370088 1128707904 /nfs/dbraw/zinc/70/79/04/1128707904.db2.gz NJZANNAMUZFQAI-KGLIPLIRSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001488805726 1128847381 /nfs/dbraw/zinc/84/73/81/1128847381.db2.gz UXVJDFSNKDQQFV-GASCZTMLSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001489380976 1128971861 /nfs/dbraw/zinc/97/18/61/1128971861.db2.gz DNAATRVNHNUOQI-QLFBSQMISA-N 1 3 342.484 -0.254 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480550470 1131389364 /nfs/dbraw/zinc/38/93/64/1131389364.db2.gz ZHYJAKXHPTYHTC-STQMWFEESA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001480550470 1131389367 /nfs/dbraw/zinc/38/93/67/1131389367.db2.gz ZHYJAKXHPTYHTC-STQMWFEESA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001413283911 1129989180 /nfs/dbraw/zinc/98/91/80/1129989180.db2.gz BUWJCRXXJZMYKP-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001490958393 1130273756 /nfs/dbraw/zinc/27/37/56/1130273756.db2.gz XLSGZVRWBDKXKJ-JOCQHMNTSA-N 1 3 334.486 -0.545 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001491023885 1130294540 /nfs/dbraw/zinc/29/45/40/1130294540.db2.gz WCHNWFVVPYXYQJ-RNJOBUHISA-N 1 3 342.415 -0.292 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC001491120715 1130331890 /nfs/dbraw/zinc/33/18/90/1130331890.db2.gz SYPFDPLVJFUGSK-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCN1CCNC1=O ZINC001491545290 1130495804 /nfs/dbraw/zinc/49/58/04/1130495804.db2.gz BIFZNIFXHDGGPN-ZDUSSCGKSA-N 1 3 325.457 -0.020 20 0 EBADHO CCOC(=O)C1=C([N-]S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238613625 1130532932 /nfs/dbraw/zinc/53/29/32/1130532932.db2.gz DLDDXWQJEFFSEL-UHFFFAOYSA-N 1 3 331.438 -0.284 20 0 EBADHO CN(CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCC[C@H]1O ZINC001362391355 1131574089 /nfs/dbraw/zinc/57/40/89/1131574089.db2.gz VLVMTLXEYXMZOH-HUUCEWRRSA-N 1 3 326.485 -0.026 20 0 EBADHO CN(CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[C@H]1O ZINC001362391355 1131574092 /nfs/dbraw/zinc/57/40/92/1131574092.db2.gz VLVMTLXEYXMZOH-HUUCEWRRSA-N 1 3 326.485 -0.026 20 0 EBADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC001364220466 1132242589 /nfs/dbraw/zinc/24/25/89/1132242589.db2.gz QJIYMCUQNGFSDK-OWCLPIDISA-N 1 3 341.500 -0.281 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366090416 1132997355 /nfs/dbraw/zinc/99/73/55/1132997355.db2.gz DCWQZXGHZKRKGD-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO O=C(C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)NC1CCOCC1 ZINC001366102903 1133006293 /nfs/dbraw/zinc/00/62/93/1133006293.db2.gz MPIAEEGNSHAMGH-HNNXBMFYSA-N 1 3 338.452 -0.432 20 0 EBADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001366128225 1133018659 /nfs/dbraw/zinc/01/86/59/1133018659.db2.gz WYLOKDNDXYRESC-IJLUTSLNSA-N 1 3 341.456 -0.216 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)N(C)C ZINC001366131823 1133020279 /nfs/dbraw/zinc/02/02/79/1133020279.db2.gz GSDOYMWACVKJFH-TUVASFSCSA-N 1 3 340.468 -0.141 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001366166532 1133035177 /nfs/dbraw/zinc/03/51/77/1133035177.db2.gz DLSBBNDXKHJZHV-MJBXVCDLSA-N 1 3 348.513 -0.299 20 0 EBADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001366241457 1133071346 /nfs/dbraw/zinc/07/13/46/1133071346.db2.gz DUPQNEBCLRMJFB-UHFFFAOYSA-N 1 3 327.429 -0.462 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366343036 1133105859 /nfs/dbraw/zinc/10/58/59/1133105859.db2.gz HWYVEQHXGSQUOL-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703982 1133262838 /nfs/dbraw/zinc/26/28/38/1133262838.db2.gz DITOPHYYTMJMCX-DZGCQCFKSA-N 1 3 340.468 -0.201 20 0 EBADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001366852578 1133320950 /nfs/dbraw/zinc/32/09/50/1133320950.db2.gz MHVUUGHGDBZESV-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001366852578 1133320955 /nfs/dbraw/zinc/32/09/55/1133320955.db2.gz MHVUUGHGDBZESV-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001367562532 1133632399 /nfs/dbraw/zinc/63/23/99/1133632399.db2.gz NKMQZOAJZSXJIW-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001367562538 1133632420 /nfs/dbraw/zinc/63/24/20/1133632420.db2.gz NKMQZOAJZSXJIW-OLZOCXBDSA-N 1 3 341.456 -0.343 20 0 EBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593991 1133667493 /nfs/dbraw/zinc/66/74/93/1133667493.db2.gz NARNASGBSJPKSX-HNNXBMFYSA-N 1 3 335.452 -0.137 20 0 EBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622049 1133706560 /nfs/dbraw/zinc/70/65/60/1133706560.db2.gz TYDVZCLZPSHZMZ-LRDDRELGSA-N 1 3 346.447 -0.598 20 0 EBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001367622049 1133706569 /nfs/dbraw/zinc/70/65/69/1133706569.db2.gz TYDVZCLZPSHZMZ-LRDDRELGSA-N 1 3 346.447 -0.598 20 0 EBADHO C[C@H](CNCC(=O)NC[C@@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001367694704 1133750293 /nfs/dbraw/zinc/75/02/93/1133750293.db2.gz CMFRHQOGRHADLD-HIFRSBDPSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367708552 1133755362 /nfs/dbraw/zinc/75/53/62/1133755362.db2.gz XOVTWABYCCCPOC-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367708552 1133755366 /nfs/dbraw/zinc/75/53/66/1133755366.db2.gz XOVTWABYCCCPOC-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001367758525 1133774585 /nfs/dbraw/zinc/77/45/85/1133774585.db2.gz VWAYLDXERUQZEL-LOWVWBTDSA-N 1 3 341.456 -0.202 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001367760901 1133775345 /nfs/dbraw/zinc/77/53/45/1133775345.db2.gz RMNOMKFZXCFARW-LBPRGKRZSA-N 1 3 349.435 -0.307 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368100112 1133937112 /nfs/dbraw/zinc/93/71/12/1133937112.db2.gz AOEISGNMORJUTJ-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001368100112 1133937115 /nfs/dbraw/zinc/93/71/15/1133937115.db2.gz AOEISGNMORJUTJ-JHJVBQTASA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109588 1133942462 /nfs/dbraw/zinc/94/24/62/1133942462.db2.gz NSJOFZCLWRDEFC-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001368128266 1133950985 /nfs/dbraw/zinc/95/09/85/1133950985.db2.gz ZKBBCYSEJOTCGR-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO NC(=O)NC(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001368496312 1134252179 /nfs/dbraw/zinc/25/21/79/1134252179.db2.gz IQUMXZCIAYFEDC-UHFFFAOYSA-N 1 3 339.440 -0.314 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@H](CNCC(=O)NC)C2)C1 ZINC001368502760 1134255952 /nfs/dbraw/zinc/25/59/52/1134255952.db2.gz DZGCNGWUVGDXGW-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@H](CNCC(=O)NC)C2)C1 ZINC001368502760 1134255957 /nfs/dbraw/zinc/25/59/57/1134255957.db2.gz DZGCNGWUVGDXGW-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368524996 1134275272 /nfs/dbraw/zinc/27/52/72/1134275272.db2.gz YQSVXJFYGQHWSX-HOCLYGCPSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@@H](NCC(=O)NC(=O)NC1CC1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001368860974 1134467389 /nfs/dbraw/zinc/46/73/89/1134467389.db2.gz HAPPTBMQICHNGT-GHMZBOCLSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](NCC(=O)NC1CC1)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369160325 1134600136 /nfs/dbraw/zinc/60/01/36/1134600136.db2.gz ZJRTWHLIRLYSDG-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369363946 1134717281 /nfs/dbraw/zinc/71/72/81/1134717281.db2.gz OMBODCTXKDWPDG-LSDHHAIUSA-N 1 3 338.456 -0.392 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369363937 1134717682 /nfs/dbraw/zinc/71/76/82/1134717682.db2.gz OMBODCTXKDWPDG-CABCVRRESA-N 1 3 338.456 -0.392 20 0 EBADHO CNC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001369448660 1134786790 /nfs/dbraw/zinc/78/67/90/1134786790.db2.gz RWKRHTJAEVHVLX-CQSZACIVSA-N 1 3 340.468 -0.330 20 0 EBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369467185 1134813493 /nfs/dbraw/zinc/81/34/93/1134813493.db2.gz LJVHWVRPSJFFKK-SJORKVTESA-N 1 3 349.479 -0.021 20 0 EBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001369470294 1134821543 /nfs/dbraw/zinc/82/15/43/1134821543.db2.gz DZWDUBWSWPLUQX-ZDUSSCGKSA-N 1 3 328.457 -0.466 20 0 EBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001369470294 1134821547 /nfs/dbraw/zinc/82/15/47/1134821547.db2.gz DZWDUBWSWPLUQX-ZDUSSCGKSA-N 1 3 328.457 -0.466 20 0 EBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001369480872 1134845955 /nfs/dbraw/zinc/84/59/55/1134845955.db2.gz YWUFEOHHHSAQIC-OAHLLOKOSA-N 1 3 335.452 -0.043 20 0 EBADHO CCN1CC[C@H](NC[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489584 1134863499 /nfs/dbraw/zinc/86/34/99/1134863499.db2.gz XRTXVMKZZOGHQN-KGLIPLIRSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001369490268 1134863748 /nfs/dbraw/zinc/86/37/48/1134863748.db2.gz OTLNDJZZDILRKU-SWLSCSKDSA-N 1 3 336.436 -0.356 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001370014314 1135174470 /nfs/dbraw/zinc/17/44/70/1135174470.db2.gz HBMLVIFFKJSJCC-HUUCEWRRSA-N 1 3 335.452 -0.224 20 0 EBADHO C[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167631 1135233338 /nfs/dbraw/zinc/23/33/38/1135233338.db2.gz MHNOPWLODDUYNI-PWSUYJOCSA-N 1 3 339.440 -0.462 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001370520641 1135388877 /nfs/dbraw/zinc/38/88/77/1135388877.db2.gz JUNNRXCVWWSFIY-SYQHCUMBSA-N 1 3 331.482 -0.002 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001370718604 1135541880 /nfs/dbraw/zinc/54/18/80/1135541880.db2.gz RIGIMMDFNYBEGB-HZSPNIEDSA-N 1 3 328.457 -0.740 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001370718604 1135541884 /nfs/dbraw/zinc/54/18/84/1135541884.db2.gz RIGIMMDFNYBEGB-HZSPNIEDSA-N 1 3 328.457 -0.740 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370725968 1135552579 /nfs/dbraw/zinc/55/25/79/1135552579.db2.gz OELANKSIBVVZRK-HUUCEWRRSA-N 1 3 342.484 -0.492 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCCC[C@@H]2CNCC(N)=O)n1 ZINC001370914326 1135693791 /nfs/dbraw/zinc/69/37/91/1135693791.db2.gz WFGFPZBGBIFSFH-CYBMUJFWSA-N 1 3 336.440 -0.486 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O)[NH+](C)C ZINC001370964445 1135715329 /nfs/dbraw/zinc/71/53/29/1135715329.db2.gz OTKOBWDHXWCPEP-OCCSQVGLSA-N 1 3 341.456 -0.262 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCOCC1 ZINC001371181002 1135857761 /nfs/dbraw/zinc/85/77/61/1135857761.db2.gz VGXFBBMZBMRYEP-UKRRQHHQSA-N 1 3 338.452 -0.719 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001371206294 1135864481 /nfs/dbraw/zinc/86/44/81/1135864481.db2.gz UUTBVRJAFQMMAW-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O)N(C)C ZINC001371465716 1135925566 /nfs/dbraw/zinc/92/55/66/1135925566.db2.gz ACQBEHFBIJELFC-BARDWOONSA-N 1 3 342.484 -0.399 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001371471175 1135929279 /nfs/dbraw/zinc/92/92/79/1135929279.db2.gz VINNTDLOMJPHPD-HZSPNIEDSA-N 1 3 328.457 -0.644 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001371472040 1135929616 /nfs/dbraw/zinc/92/96/16/1135929616.db2.gz LDFLUPSQWRSETD-IIAWOOMASA-N 1 3 342.484 -0.398 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1O ZINC001371472040 1135929618 /nfs/dbraw/zinc/92/96/18/1135929618.db2.gz LDFLUPSQWRSETD-IIAWOOMASA-N 1 3 342.484 -0.398 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001371613872 1135984460 /nfs/dbraw/zinc/98/44/60/1135984460.db2.gz ICHNVEWXLMNFNF-CVEARBPZSA-N 1 3 335.452 -0.222 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC1 ZINC001371842522 1136033119 /nfs/dbraw/zinc/03/31/19/1136033119.db2.gz HMPCJPKLIPKLGX-ZIAGYGMSSA-N 1 3 349.435 -0.628 20 0 EBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001372983922 1136346179 /nfs/dbraw/zinc/34/61/79/1136346179.db2.gz OWQDTSRPVDOIRS-CQSZACIVSA-N 1 3 336.440 -0.663 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CN(CCn2cncn2)C1 ZINC001373557629 1136495584 /nfs/dbraw/zinc/49/55/84/1136495584.db2.gz HZGCHOQVMHWGHT-AWEZNQCLSA-N 1 3 336.440 -0.706 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001374237010 1136655346 /nfs/dbraw/zinc/65/53/46/1136655346.db2.gz YECSFNJBCSNDRC-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001374237010 1136655348 /nfs/dbraw/zinc/65/53/48/1136655348.db2.gz YECSFNJBCSNDRC-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001374271259 1136663430 /nfs/dbraw/zinc/66/34/30/1136663430.db2.gz LODWJRKOXGBCCT-DGCLKSJQSA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275666 1136663685 /nfs/dbraw/zinc/66/36/85/1136663685.db2.gz JIVJFHOPEYLDLY-VXGBXAGGSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)CN1CCCC1 ZINC001374323453 1136673494 /nfs/dbraw/zinc/67/34/94/1136673494.db2.gz BQOCPLDFHYMBLL-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001374603000 1136739735 /nfs/dbraw/zinc/73/97/35/1136739735.db2.gz HDIAVHQDADNDEK-MELADBBJSA-N 1 3 326.441 -0.984 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001374603000 1136739737 /nfs/dbraw/zinc/73/97/37/1136739737.db2.gz HDIAVHQDADNDEK-MELADBBJSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001374617351 1136751680 /nfs/dbraw/zinc/75/16/80/1136751680.db2.gz UIXOOAFEZQBBET-KBPBESRZSA-N 1 3 336.440 -0.684 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674719 1136793343 /nfs/dbraw/zinc/79/33/43/1136793343.db2.gz JUIKTPGKOYJMBL-ZIAGYGMSSA-N 1 3 326.441 -0.983 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001374674719 1136793344 /nfs/dbraw/zinc/79/33/44/1136793344.db2.gz JUIKTPGKOYJMBL-ZIAGYGMSSA-N 1 3 326.441 -0.983 20 0 EBADHO CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687473 1136802833 /nfs/dbraw/zinc/80/28/33/1136802833.db2.gz ZZGKIDFYPDIIKO-OCCSQVGLSA-N 1 3 326.441 -0.984 20 0 EBADHO CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001374687473 1136802835 /nfs/dbraw/zinc/80/28/35/1136802835.db2.gz ZZGKIDFYPDIIKO-OCCSQVGLSA-N 1 3 326.441 -0.984 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001374719072 1136813051 /nfs/dbraw/zinc/81/30/51/1136813051.db2.gz GACWEEMCJNUFCF-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001374899024 1136868629 /nfs/dbraw/zinc/86/86/29/1136868629.db2.gz RUKZKLUQOIXLFQ-XQQFMLRXSA-N 1 3 343.472 -0.099 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001374904394 1136869563 /nfs/dbraw/zinc/86/95/63/1136869563.db2.gz FNSQADFCAQBEGC-GXTWGEPZSA-N 1 3 328.457 -0.284 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001374933961 1136878886 /nfs/dbraw/zinc/87/88/86/1136878886.db2.gz RZMZVSPKLUVTNI-TUAOUCFPSA-N 1 3 329.445 -0.345 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C1 ZINC000643591008 375917704 /nfs/dbraw/zinc/91/77/04/375917704.db2.gz GSOGCGXHANIKJS-CABCVRRESA-N 1 3 337.468 -0.826 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCSC1 ZINC000642768958 376088738 /nfs/dbraw/zinc/08/87/38/376088738.db2.gz VEHWPQNVUDJLFI-TYNCELHUSA-N 1 3 326.466 -0.640 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CCO1 ZINC000642732130 376056125 /nfs/dbraw/zinc/05/61/25/376056125.db2.gz APHCACBUMWAHFH-RDBSUJKOSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565882981 376226642 /nfs/dbraw/zinc/22/66/42/376226642.db2.gz XSPGTGYXHRWWFO-GJZGRUSLSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000565882981 376226646 /nfs/dbraw/zinc/22/66/46/376226646.db2.gz XSPGTGYXHRWWFO-GJZGRUSLSA-N 1 3 339.484 -0.676 20 0 EBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642903971 376685124 /nfs/dbraw/zinc/68/51/24/376685124.db2.gz PRGPTTJYXRBCLP-AWEZNQCLSA-N 1 3 331.420 -0.012 20 0 EBADHO COCCNCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564724706 376897087 /nfs/dbraw/zinc/89/70/87/376897087.db2.gz AXOWAJYABXWJLQ-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO COC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000562692466 376983454 /nfs/dbraw/zinc/98/34/54/376983454.db2.gz QVYYAQJNIXBPCD-UHFFFAOYSA-N 1 3 328.457 -0.424 20 0 EBADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000572643323 377236010 /nfs/dbraw/zinc/23/60/10/377236010.db2.gz RGQAJDUXJGGRKL-KBPBESRZSA-N 1 3 347.415 -0.310 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@@H+]1C ZINC000572790742 377291629 /nfs/dbraw/zinc/29/16/29/377291629.db2.gz LLIFKSRTOYOFEH-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[N@H+]1C ZINC000572790742 377291634 /nfs/dbraw/zinc/29/16/34/377291634.db2.gz LLIFKSRTOYOFEH-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCCNC[C@@H]2C(=O)OC)CC1 ZINC000592962370 377866217 /nfs/dbraw/zinc/86/62/17/377866217.db2.gz CVYJQQNKDQFLMX-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2CCCNC[C@@H]2C(=O)OC)CC1 ZINC000592983531 377869071 /nfs/dbraw/zinc/86/90/71/377869071.db2.gz WVJRSROZUNCOIW-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000595866356 378031629 /nfs/dbraw/zinc/03/16/29/378031629.db2.gz KWPDMLNBARCRPY-AWEZNQCLSA-N 1 3 327.425 -0.461 20 0 EBADHO CN(CCCN1C(=O)CNC1=O)CC[N@H+](C)C1CCN(C)CC1 ZINC000162193211 378363623 /nfs/dbraw/zinc/36/36/23/378363623.db2.gz MCBAWYAQOPTPFL-UHFFFAOYSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(CCCN1C(=O)CNC1=O)CC[N@@H+](C)C1CCN(C)CC1 ZINC000162193211 378363629 /nfs/dbraw/zinc/36/36/29/378363629.db2.gz MCBAWYAQOPTPFL-UHFFFAOYSA-N 1 3 325.457 -0.114 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000637264557 378555008 /nfs/dbraw/zinc/55/50/08/378555008.db2.gz LJBISSBONJJJJB-KBPBESRZSA-N 1 3 343.472 -0.456 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000637264557 378555015 /nfs/dbraw/zinc/55/50/15/378555015.db2.gz LJBISSBONJJJJB-KBPBESRZSA-N 1 3 343.472 -0.456 20 0 EBADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)c1n[nH]c2c1CNCC2 ZINC000365951985 378730203 /nfs/dbraw/zinc/73/02/03/378730203.db2.gz ASKHOWGRRFUIDI-UHFFFAOYSA-N 1 3 328.376 -0.004 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000339584940 378955957 /nfs/dbraw/zinc/95/59/57/378955957.db2.gz OJIKBAQNNJCBEE-UHFFFAOYSA-N 1 3 341.500 -0.413 20 0 EBADHO CN(CCOCC[NH3+])CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000629580502 379050492 /nfs/dbraw/zinc/05/04/92/379050492.db2.gz WNURNAYDUASODD-UHFFFAOYSA-N 1 3 344.437 -0.430 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C[C@@H]21 ZINC000454447518 379115207 /nfs/dbraw/zinc/11/52/07/379115207.db2.gz VMQSKDUENFRDIY-KFWWJZLASA-N 1 3 337.468 -0.081 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C[C@@H]21 ZINC000454447518 379115217 /nfs/dbraw/zinc/11/52/17/379115217.db2.gz VMQSKDUENFRDIY-KFWWJZLASA-N 1 3 337.468 -0.081 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000629819005 379160308 /nfs/dbraw/zinc/16/03/08/379160308.db2.gz HSWZHEYRGMXERD-MRXNPFEDSA-N 1 3 326.441 -0.636 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)CCOCC[NH3+])CCCO1 ZINC000627296495 379142311 /nfs/dbraw/zinc/14/23/11/379142311.db2.gz IQCYDBZRAQRMGX-AWEZNQCLSA-N 1 3 344.456 -0.963 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000629800099 379142422 /nfs/dbraw/zinc/14/24/22/379142422.db2.gz NRXOWJILONCKPV-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407750 379171514 /nfs/dbraw/zinc/17/15/14/379171514.db2.gz KKFRTSGKXVYARJ-CABCVRRESA-N 1 3 349.483 -0.042 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000627312001 379304338 /nfs/dbraw/zinc/30/43/38/379304338.db2.gz MOTZKWPEBAKTLN-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622027456 379396502 /nfs/dbraw/zinc/39/65/02/379396502.db2.gz CLHRASCEMIIOFL-YOEHRIQHSA-N 1 3 339.484 -0.722 20 0 EBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[NH2+]1 ZINC000627334036 379350640 /nfs/dbraw/zinc/35/06/40/379350640.db2.gz DAEXHLUDPGYYBD-UONOGXRCSA-N 1 3 339.484 -0.615 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CCO1 ZINC000642644433 379551204 /nfs/dbraw/zinc/55/12/04/379551204.db2.gz FWKCQUCXBLYNOU-KFWWJZLASA-N 1 3 340.468 -0.202 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000627428633 379595597 /nfs/dbraw/zinc/59/55/97/379595597.db2.gz KTQKGPXVRGRKTO-CQSZACIVSA-N 1 3 328.457 -0.425 20 0 EBADHO CNS(=O)(=O)CCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637672173 379635431 /nfs/dbraw/zinc/63/54/31/379635431.db2.gz XMSQCDUTEDKUBL-UHFFFAOYSA-N 1 3 337.490 -0.940 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCOCC1 ZINC000627455587 379605753 /nfs/dbraw/zinc/60/57/53/379605753.db2.gz ATUXWFMOKIOFOS-AWEZNQCLSA-N 1 3 338.452 -0.303 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126647 379809970 /nfs/dbraw/zinc/80/99/70/379809970.db2.gz HWXOVYWBZMPOIS-ZDUSSCGKSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H]1CC[N@H+](CCNS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632057176 379807244 /nfs/dbraw/zinc/80/72/44/379807244.db2.gz VYZYVZZTBXYQQN-HNNXBMFYSA-N 1 3 332.514 -0.115 20 0 EBADHO C[C@H]1CC[N@@H+](CCNS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632057176 379807252 /nfs/dbraw/zinc/80/72/52/379807252.db2.gz VYZYVZZTBXYQQN-HNNXBMFYSA-N 1 3 332.514 -0.115 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000626964518 379767587 /nfs/dbraw/zinc/76/75/87/379767587.db2.gz SQVFNAHABQMXPQ-MJBXVCDLSA-N 1 3 325.457 -0.021 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627147835 379816093 /nfs/dbraw/zinc/81/60/93/379816093.db2.gz NCANFXCLQJZYRA-UHFFFAOYSA-N 1 3 329.445 -0.844 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633093238 379934210 /nfs/dbraw/zinc/93/42/10/379934210.db2.gz SPOPRBYWOUFFGC-GASCZTMLSA-N 1 3 337.468 -0.955 20 0 EBADHO C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000354737236 380089473 /nfs/dbraw/zinc/08/94/73/380089473.db2.gz IIXZAVCNIRBHDU-LSDHHAIUSA-N 1 3 339.484 -0.756 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354706873 380085984 /nfs/dbraw/zinc/08/59/84/380085984.db2.gz HNONCJGTXGLHAC-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000550042769 380249919 /nfs/dbraw/zinc/24/99/19/380249919.db2.gz WQCICMWQAVJBHS-UHFFFAOYSA-N 1 3 341.500 -0.461 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)CN1CCN(C)CC1 ZINC000551485037 380264811 /nfs/dbraw/zinc/26/48/11/380264811.db2.gz KGVPCIBYAZPHEK-HNNXBMFYSA-N 1 3 341.500 -0.604 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000548817121 380232243 /nfs/dbraw/zinc/23/22/43/380232243.db2.gz RJKFBKJTMIUFSP-CYBMUJFWSA-N 1 3 330.498 -0.050 20 0 EBADHO C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000362564384 380411417 /nfs/dbraw/zinc/41/14/17/380411417.db2.gz KERNBHIAQCTRIQ-HUUCEWRRSA-N 1 3 349.483 -0.184 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000567368905 380515676 /nfs/dbraw/zinc/51/56/76/380515676.db2.gz MCMPXFXXSLTEHI-AWEZNQCLSA-N 1 3 327.473 -0.817 20 0 EBADHO CN(CCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)S(C)(=O)=O ZINC000567889759 380556611 /nfs/dbraw/zinc/55/66/11/380556611.db2.gz RMIRPLUBBOULKY-OKILXGFUSA-N 1 3 346.497 -0.685 20 0 EBADHO CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573386834 380670488 /nfs/dbraw/zinc/67/04/88/380670488.db2.gz QJUWFUKTMMYDKU-QWHCGFSZSA-N 1 3 328.482 -0.168 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000573810437 380688766 /nfs/dbraw/zinc/68/87/66/380688766.db2.gz IVCFXLIZQFXPGQ-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000574040551 380697638 /nfs/dbraw/zinc/69/76/38/380697638.db2.gz OBODDBYQUPVSBG-QWHCGFSZSA-N 1 3 327.473 -0.629 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021581 380654544 /nfs/dbraw/zinc/65/45/44/380654544.db2.gz DWPZPOPXWSFGLZ-NEXFUWMNSA-N 1 3 335.452 -0.043 20 0 EBADHO NC(C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(F)(F)F ZINC000574635173 380719002 /nfs/dbraw/zinc/71/90/02/380719002.db2.gz YJLQUNKTQIOQER-HBNTYKKESA-N 1 3 336.358 -0.017 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000342009506 380751247 /nfs/dbraw/zinc/75/12/47/380751247.db2.gz BELJOLHCMJCCTF-LSDHHAIUSA-N 1 3 340.468 -0.500 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000576861143 380788844 /nfs/dbraw/zinc/78/88/44/380788844.db2.gz BIZVISBAQBDBJU-AWEZNQCLSA-N 1 3 327.473 -0.865 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418289731 380801531 /nfs/dbraw/zinc/80/15/31/380801531.db2.gz PGCOSSRUSLKCHB-INIZCTEOSA-N 1 3 341.500 -0.326 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000580632302 380805848 /nfs/dbraw/zinc/80/58/48/380805848.db2.gz AHLYRUKCNNABSW-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580645102 380806370 /nfs/dbraw/zinc/80/63/70/380806370.db2.gz SYTPVHQXNMNFTR-HUUCEWRRSA-N 1 3 340.468 -0.546 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)C[C@H](C)O1 ZINC000577179410 380810215 /nfs/dbraw/zinc/81/02/15/380810215.db2.gz WFPHWUFGIBDDCR-TWMKSMIVSA-N 1 3 329.485 -0.107 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000577943022 380857586 /nfs/dbraw/zinc/85/75/86/380857586.db2.gz IZRYFXOLMWATRQ-KGLIPLIRSA-N 1 3 327.473 -0.948 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000577943024 380858161 /nfs/dbraw/zinc/85/81/61/380858161.db2.gz IZRYFXOLMWATRQ-ZIAGYGMSSA-N 1 3 327.473 -0.948 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000581355972 381070881 /nfs/dbraw/zinc/07/08/81/381070881.db2.gz NRUNETJNNWTOBS-KKUMJFAQSA-N 1 3 340.468 -0.833 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000617504010 381033064 /nfs/dbraw/zinc/03/30/64/381033064.db2.gz FCSJFCXETULZCP-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000617504010 381033070 /nfs/dbraw/zinc/03/30/70/381033070.db2.gz FCSJFCXETULZCP-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000617502491 381033991 /nfs/dbraw/zinc/03/39/91/381033991.db2.gz RIDZGXHWVWKQMM-QWHCGFSZSA-N 1 3 334.486 -0.592 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000617502491 381033996 /nfs/dbraw/zinc/03/39/96/381033996.db2.gz RIDZGXHWVWKQMM-QWHCGFSZSA-N 1 3 334.486 -0.592 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000617507703 381037023 /nfs/dbraw/zinc/03/70/23/381037023.db2.gz GKCRGRFOJBFBGF-STQMWFEESA-N 1 3 337.472 -0.401 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000617507703 381037029 /nfs/dbraw/zinc/03/70/29/381037029.db2.gz GKCRGRFOJBFBGF-STQMWFEESA-N 1 3 337.472 -0.401 20 0 EBADHO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000347063232 381163290 /nfs/dbraw/zinc/16/32/90/381163290.db2.gz DKSPXTGTZBBMAX-GJZGRUSLSA-N 1 3 327.473 -0.358 20 0 EBADHO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000347063232 381163297 /nfs/dbraw/zinc/16/32/97/381163297.db2.gz DKSPXTGTZBBMAX-GJZGRUSLSA-N 1 3 327.473 -0.358 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541259 381180086 /nfs/dbraw/zinc/18/00/86/381180086.db2.gz ANYDLDLOBUUUEO-VHDGCEQUSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541259 381180092 /nfs/dbraw/zinc/18/00/92/381180092.db2.gz ANYDLDLOBUUUEO-VHDGCEQUSA-N 1 3 335.452 -0.043 20 0 EBADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000347440279 381220909 /nfs/dbraw/zinc/22/09/09/381220909.db2.gz ZFZXYAMSFHUEDI-HZPDHXFCSA-N 1 3 342.484 -0.022 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](CN)C1 ZINC000418833981 381289028 /nfs/dbraw/zinc/28/90/28/381289028.db2.gz LLWFZVNYQSJKMI-ZIAGYGMSSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418874841 381324010 /nfs/dbraw/zinc/32/40/10/381324010.db2.gz CLAZARIJVKMUKT-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418883126 381330050 /nfs/dbraw/zinc/33/00/50/381330050.db2.gz ZUTHBDGQJZMYOM-JKSUJKDBSA-N 1 3 348.447 -0.538 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419033198 381357602 /nfs/dbraw/zinc/35/76/02/381357602.db2.gz YDUPBFFKSNGUMO-MGPQQGTHSA-N 1 3 328.457 -0.751 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419188855 381404459 /nfs/dbraw/zinc/40/44/59/381404459.db2.gz SYEAPUVFALYKRR-CQSZACIVSA-N 1 3 339.484 -0.532 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419164164 381391141 /nfs/dbraw/zinc/39/11/41/381391141.db2.gz LNEXKMQZMIIPLB-GDBMZVCRSA-N 1 3 348.447 -0.143 20 0 EBADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419168093 381391594 /nfs/dbraw/zinc/39/15/94/381391594.db2.gz JZTIWCFIHGWUTJ-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1(C)C ZINC000419186779 381403508 /nfs/dbraw/zinc/40/35/08/381403508.db2.gz QIIMRECDUSHZRW-CQSZACIVSA-N 1 3 339.484 -0.613 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419412651 381428590 /nfs/dbraw/zinc/42/85/90/381428590.db2.gz RCXFQHKYWJNFJX-RRFJBIMHSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000419590180 381459887 /nfs/dbraw/zinc/45/98/87/381459887.db2.gz SZHWYAMFUHTTQM-IOASZLSFSA-N 1 3 342.509 -0.017 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419592607 381461123 /nfs/dbraw/zinc/46/11/23/381461123.db2.gz SJUAYSQUDYRDDF-RBSFLKMASA-N 1 3 340.468 -0.058 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419592605 381462317 /nfs/dbraw/zinc/46/23/17/381462317.db2.gz SJUAYSQUDYRDDF-QLFBSQMISA-N 1 3 340.468 -0.058 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419671273 381468859 /nfs/dbraw/zinc/46/88/59/381468859.db2.gz DSNAWWIOWBBPLM-UHFFFAOYSA-N 1 3 328.457 -0.151 20 0 EBADHO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000419847597 381506443 /nfs/dbraw/zinc/50/64/43/381506443.db2.gz RXPDGCPUUFMHMW-UHFFFAOYSA-N 1 3 335.408 -0.536 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419895455 381518702 /nfs/dbraw/zinc/51/87/02/381518702.db2.gz XFQLEULNEHMYEX-GFCCVEGCSA-N 1 3 333.392 -0.783 20 0 EBADHO COCCN1CC[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000349904809 381491539 /nfs/dbraw/zinc/49/15/39/381491539.db2.gz KMZFYKVKTMUICX-HNNXBMFYSA-N 1 3 328.457 -0.289 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)N[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814308 381496360 /nfs/dbraw/zinc/49/63/60/381496360.db2.gz HGOYOMDFBRVPAQ-RBSFLKMASA-N 1 3 339.484 -0.805 20 0 EBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN[C@H](C)C2)CC1 ZINC000419813497 381497295 /nfs/dbraw/zinc/49/72/95/381497295.db2.gz HDHBSCRUHRCCII-HUUCEWRRSA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000419837279 381502731 /nfs/dbraw/zinc/50/27/31/381502731.db2.gz WMYWLUMMVASIRP-KFWWJZLASA-N 1 3 339.484 -0.805 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419973010 381523108 /nfs/dbraw/zinc/52/31/08/381523108.db2.gz HDFWFEOKVZICMW-KBPBESRZSA-N 1 3 328.457 -0.473 20 0 EBADHO CN(C)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157758 381551863 /nfs/dbraw/zinc/55/18/63/381551863.db2.gz GQOSPAKIJSMQKV-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420078431 381535935 /nfs/dbraw/zinc/53/59/35/381535935.db2.gz ZMTMVRWKLFLQLC-CQSZACIVSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000420178497 381562423 /nfs/dbraw/zinc/56/24/23/381562423.db2.gz DQNOHZABAIMHFF-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO COCCNCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000420178497 381562429 /nfs/dbraw/zinc/56/24/29/381562429.db2.gz DQNOHZABAIMHFF-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000420204714 381569078 /nfs/dbraw/zinc/56/90/78/381569078.db2.gz SRJMFLSYNQFSJN-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1CN(CCCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000351542277 381641651 /nfs/dbraw/zinc/64/16/51/381641651.db2.gz QVNFFFFRGOKYON-ZNMIVQPWSA-N 1 3 340.468 -0.140 20 0 EBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000580443135 381757109 /nfs/dbraw/zinc/75/71/09/381757109.db2.gz KAUQFBMDBGFXLT-SECBINFHSA-N 1 3 331.384 -0.733 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCO1 ZINC000643492787 381821730 /nfs/dbraw/zinc/82/17/30/381821730.db2.gz FZRGHYXAKPSEAL-KKUMJFAQSA-N 1 3 338.452 -0.352 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643509545 381928496 /nfs/dbraw/zinc/92/84/96/381928496.db2.gz PHBVVUOGUIZANL-CABCVRRESA-N 1 3 339.484 -0.851 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCO1 ZINC000643510624 381961443 /nfs/dbraw/zinc/96/14/43/381961443.db2.gz CXFOUYQJWOPTSL-SOUVJXGZSA-N 1 3 338.452 -0.352 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354730686 285335586 /nfs/dbraw/zinc/33/55/86/285335586.db2.gz APSVNNCRZPZLQB-CABCVRRESA-N 1 3 339.484 -0.613 20 0 EBADHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000238045338 154176950 /nfs/dbraw/zinc/17/69/50/154176950.db2.gz OEUGKDXLPAUSPB-CQSZACIVSA-N 1 3 340.493 -0.152 20 0 EBADHO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000238081997 154177537 /nfs/dbraw/zinc/17/75/37/154177537.db2.gz OEUGKDXLPAUSPB-AWEZNQCLSA-N 1 3 340.493 -0.152 20 0 EBADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000245559106 154178954 /nfs/dbraw/zinc/17/89/54/154178954.db2.gz UAVFXRVPZXKCHF-HEHGZKQESA-N 1 3 326.416 -0.205 20 0 EBADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000249105275 154191309 /nfs/dbraw/zinc/19/13/09/154191309.db2.gz PDWPMKRICAYGMR-JONQDZQNSA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(NC[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261718818 154198038 /nfs/dbraw/zinc/19/80/38/154198038.db2.gz QKWRCWLMWUTFSK-UONOGXRCSA-N 1 3 336.436 -0.284 20 0 EBADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000342699927 156053463 /nfs/dbraw/zinc/05/34/63/156053463.db2.gz WWGKVHJPXMRAEN-CYBMUJFWSA-N 1 3 340.424 -0.967 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)CC1 ZINC000343683477 156156253 /nfs/dbraw/zinc/15/62/53/156156253.db2.gz WILVHCLZPLHKPW-IAGOWNOFSA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343683477 156156258 /nfs/dbraw/zinc/15/62/58/156156258.db2.gz WILVHCLZPLHKPW-IAGOWNOFSA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343683477 156156264 /nfs/dbraw/zinc/15/62/64/156156264.db2.gz WILVHCLZPLHKPW-IAGOWNOFSA-N 1 3 335.496 -0.385 20 0 EBADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000343684933 156157057 /nfs/dbraw/zinc/15/70/57/156157057.db2.gz LWJUOZBOCKNLNY-WBVHZDCISA-N 1 3 336.480 -0.007 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419860685 419021481 /nfs/dbraw/zinc/02/14/81/419021481.db2.gz AYUXRAXIBNEIFQ-KKUMJFAQSA-N 1 3 340.468 -0.058 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000518332511 419023945 /nfs/dbraw/zinc/02/39/45/419023945.db2.gz PDDMKYHXZWDINM-LSDHHAIUSA-N 1 3 342.484 -0.442 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410500165 419034437 /nfs/dbraw/zinc/03/44/37/419034437.db2.gz AAVSEDQEXRRVKO-AWEZNQCLSA-N 1 3 328.457 -0.424 20 0 EBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653119063 418989122 /nfs/dbraw/zinc/98/91/22/418989122.db2.gz ZKYQYVVWHXJAIQ-INIZCTEOSA-N 1 3 349.479 -0.127 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000650918259 419089306 /nfs/dbraw/zinc/08/93/06/419089306.db2.gz ATXIFJMAMSEKHR-KGLIPLIRSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000650918259 419089310 /nfs/dbraw/zinc/08/93/10/419089310.db2.gz ATXIFJMAMSEKHR-KGLIPLIRSA-N 1 3 325.457 -0.116 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CNC[C@H]1CCCO1 ZINC000644124062 419103912 /nfs/dbraw/zinc/10/39/12/419103912.db2.gz OJABCXXLPUCGRP-UONOGXRCSA-N 1 3 326.441 -0.399 20 0 EBADHO CN(CCN1CCCS1(=O)=O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647552598 419112711 /nfs/dbraw/zinc/11/27/11/419112711.db2.gz KHNCEYINMKWRCM-CYBMUJFWSA-N 1 3 332.470 -0.849 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000647593749 419121082 /nfs/dbraw/zinc/12/10/82/419121082.db2.gz DRVYEOFOSOSEJU-MJBXVCDLSA-N 1 3 328.457 -0.155 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000647593746 419121334 /nfs/dbraw/zinc/12/13/34/419121334.db2.gz DRVYEOFOSOSEJU-BFHYXJOUSA-N 1 3 328.457 -0.155 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000647250973 419052757 /nfs/dbraw/zinc/05/27/57/419052757.db2.gz OVAPCXDHRXXJJY-ZDUSSCGKSA-N 1 3 345.469 -0.590 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000650670829 419060493 /nfs/dbraw/zinc/06/04/93/419060493.db2.gz BFCUTYPIISOFPB-CQSZACIVSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000650670829 419060496 /nfs/dbraw/zinc/06/04/96/419060496.db2.gz BFCUTYPIISOFPB-CQSZACIVSA-N 1 3 337.468 -0.114 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C[C@H]1C[NH3+] ZINC000652682145 419251368 /nfs/dbraw/zinc/25/13/68/419251368.db2.gz CDKJUHNVGLYOGM-RBSFLKMASA-N 1 3 340.468 -0.201 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652682853 419251456 /nfs/dbraw/zinc/25/14/56/419251456.db2.gz XKRDCKBXSQJXGH-RBSFLKMASA-N 1 3 340.468 -0.343 20 0 EBADHO CCO[C@@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652159016 419229239 /nfs/dbraw/zinc/22/92/39/419229239.db2.gz PYJLWGUMEKNGIE-BZUAXINKSA-N 1 3 341.500 -0.125 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@H]1C[NH3+] ZINC000652728931 419323525 /nfs/dbraw/zinc/32/35/25/419323525.db2.gz IJDMYHUHIHZMFN-MGPQQGTHSA-N 1 3 326.441 -0.639 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728355 419321004 /nfs/dbraw/zinc/32/10/04/419321004.db2.gz HAVXFPOKQZNLQA-RBSFLKMASA-N 1 3 338.452 -0.495 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206378 419335204 /nfs/dbraw/zinc/33/52/04/419335204.db2.gz XCHSUGSMANYUGK-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000647966630 419401922 /nfs/dbraw/zinc/40/19/22/419401922.db2.gz ATKNHQOSGMXUMX-HOTGVXAUSA-N 1 3 326.485 -0.074 20 0 EBADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000647966630 419401930 /nfs/dbraw/zinc/40/19/30/419401930.db2.gz ATKNHQOSGMXUMX-HOTGVXAUSA-N 1 3 326.485 -0.074 20 0 EBADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000519754150 419542236 /nfs/dbraw/zinc/54/22/36/419542236.db2.gz CBCYQSOBGVPSQU-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000519754150 419542248 /nfs/dbraw/zinc/54/22/48/419542248.db2.gz CBCYQSOBGVPSQU-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348014524 419499816 /nfs/dbraw/zinc/49/98/16/419499816.db2.gz MXGOGBZVHGZXED-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348014524 419499822 /nfs/dbraw/zinc/49/98/22/419499822.db2.gz MXGOGBZVHGZXED-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519140529 419516893 /nfs/dbraw/zinc/51/68/93/419516893.db2.gz MFDMUABBFZTTJE-CPUCHLNUSA-N 1 3 338.452 -0.482 20 0 EBADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000645625050 419773036 /nfs/dbraw/zinc/77/30/36/419773036.db2.gz VGOAVBJEMUWKLU-TZMCWYRMSA-N 1 3 334.424 -0.454 20 0 EBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659738879 419804882 /nfs/dbraw/zinc/80/48/82/419804882.db2.gz JWGGFGNRQCXZGD-LSDHHAIUSA-N 1 3 338.452 -0.304 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420018488 419832708 /nfs/dbraw/zinc/83/27/08/419832708.db2.gz POZIZMJZCBGGCA-BFHYXJOUSA-N 1 3 340.468 -0.202 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423263528 419928957 /nfs/dbraw/zinc/92/89/57/419928957.db2.gz ORRSDCLQBVUFJA-CABCVRRESA-N 1 3 342.484 -0.001 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423266818 419929808 /nfs/dbraw/zinc/92/98/08/419929808.db2.gz SHMNWNYBDGAPPA-CQSZACIVSA-N 1 3 328.457 -0.247 20 0 EBADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)CC1 ZINC000423265112 419930463 /nfs/dbraw/zinc/93/04/63/419930463.db2.gz QRIUKZGWAGMEMC-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000423226297 419925407 /nfs/dbraw/zinc/92/54/07/419925407.db2.gz QDZIARWSTTVXNU-LSDHHAIUSA-N 1 3 338.452 -0.351 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423214374 419926780 /nfs/dbraw/zinc/92/67/80/419926780.db2.gz OVFAWEKHGRCQON-UONOGXRCSA-N 1 3 326.441 -0.495 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000514717234 419971282 /nfs/dbraw/zinc/97/12/82/419971282.db2.gz NJXJYMFFFVZBQL-OAHLLOKOSA-N 1 3 340.468 -0.280 20 0 EBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000514796126 419973862 /nfs/dbraw/zinc/97/38/62/419973862.db2.gz LJFIWEZZHSKYOV-MRXNPFEDSA-N 1 3 342.484 -0.835 20 0 EBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000514796126 419973866 /nfs/dbraw/zinc/97/38/66/419973866.db2.gz LJFIWEZZHSKYOV-MRXNPFEDSA-N 1 3 342.484 -0.835 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000167405639 420527552 /nfs/dbraw/zinc/52/75/52/420527552.db2.gz ZGYMCFVWWBDACN-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022483 420866086 /nfs/dbraw/zinc/86/60/86/420866086.db2.gz HHOYTDDVVMDEKD-RVMXOQNASA-N 1 3 326.441 -0.328 20 0 EBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658904063 420986346 /nfs/dbraw/zinc/98/63/46/420986346.db2.gz QMWADQUOSUSEQG-OAHLLOKOSA-N 1 3 338.452 -0.936 20 0 EBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658904063 420986349 /nfs/dbraw/zinc/98/63/49/420986349.db2.gz QMWADQUOSUSEQG-OAHLLOKOSA-N 1 3 338.452 -0.936 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659453353 420999962 /nfs/dbraw/zinc/99/99/62/420999962.db2.gz YAQBQHVAELVGQL-UHFFFAOYSA-N 1 3 337.468 -0.020 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)CN1CCN(C)CC1 ZINC000659710782 421018606 /nfs/dbraw/zinc/01/86/06/421018606.db2.gz UUJSWUGNANNMJE-AWEZNQCLSA-N 1 3 339.484 -0.626 20 0 EBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659724430 421023300 /nfs/dbraw/zinc/02/33/00/421023300.db2.gz VYONYLPNIVFNCE-GJZGRUSLSA-N 1 3 340.468 -0.010 20 0 EBADHO CC[NH+](CC)CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747550 421028106 /nfs/dbraw/zinc/02/81/06/421028106.db2.gz DMPNHNUIPZTRLN-UHFFFAOYSA-N 1 3 338.412 -0.895 20 0 EBADHO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663500231 421132459 /nfs/dbraw/zinc/13/24/59/421132459.db2.gz JBNQXFCOCBVRFB-ZIAGYGMSSA-N 1 3 325.457 -0.129 20 0 EBADHO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663500231 421132462 /nfs/dbraw/zinc/13/24/62/421132462.db2.gz JBNQXFCOCBVRFB-ZIAGYGMSSA-N 1 3 325.457 -0.129 20 0 EBADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(C(C)(C)N)no1 ZINC000662874149 421104278 /nfs/dbraw/zinc/10/42/78/421104278.db2.gz MRMWOLIVRLVGNY-UHFFFAOYSA-N 1 3 325.413 -0.040 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1O ZINC000664473635 421157099 /nfs/dbraw/zinc/15/70/99/421157099.db2.gz TZYWQXPVSCTTAI-QXSJWSMHSA-N 1 3 340.468 -0.320 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000369780516 421195293 /nfs/dbraw/zinc/19/52/93/421195293.db2.gz RELRNOAQFPULNX-KBPBESRZSA-N 1 3 336.440 0.429 20 0 EBADHO CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000331732252 421197720 /nfs/dbraw/zinc/19/77/20/421197720.db2.gz RCEMTNKCKCPYAM-AWEZNQCLSA-N 1 3 348.451 0.251 20 0 EBADHO COCC[NH2+]CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418497950 264829482 /nfs/dbraw/zinc/82/94/82/264829482.db2.gz KWAZPELLHLYHKN-CQSZACIVSA-N 1 3 341.456 -0.830 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026304 264844990 /nfs/dbraw/zinc/84/49/90/264844990.db2.gz NJDUEPZBPICSSW-HUUCEWRRSA-N 1 3 339.484 -0.756 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419860681 264897598 /nfs/dbraw/zinc/89/75/98/264897598.db2.gz AYUXRAXIBNEIFQ-ILXRZTDVSA-N 1 3 340.468 -0.058 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419859228 264897885 /nfs/dbraw/zinc/89/78/85/264897885.db2.gz JHVCWGVJKYJVKR-ZDUSSCGKSA-N 1 3 347.419 -0.408 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423263529 264991704 /nfs/dbraw/zinc/99/17/04/264991704.db2.gz ORRSDCLQBVUFJA-GJZGRUSLSA-N 1 3 342.484 -0.001 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H](C)CN1 ZINC000423654885 265026705 /nfs/dbraw/zinc/02/67/05/265026705.db2.gz RJICCOPESSKILB-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H](C)CN1 ZINC000423654885 265026707 /nfs/dbraw/zinc/02/67/07/265026707.db2.gz RJICCOPESSKILB-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H](C)CN1 ZINC000423654885 265026709 /nfs/dbraw/zinc/02/67/09/265026709.db2.gz RJICCOPESSKILB-HUUCEWRRSA-N 1 3 341.500 -0.463 20 0 EBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000423665316 265030121 /nfs/dbraw/zinc/03/01/21/265030121.db2.gz HEYXSGOHTULZCS-KFWWJZLASA-N 1 3 340.468 -0.106 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423736747 265039704 /nfs/dbraw/zinc/03/97/04/265039704.db2.gz BXWLJQMTHMTYIL-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423736753 265039714 /nfs/dbraw/zinc/03/97/14/265039714.db2.gz BXWLJQMTHMTYIL-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1C[NH2+]CCO1 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CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000846322368 584124701 /nfs/dbraw/zinc/12/47/01/584124701.db2.gz VBAHJBVFEBTERR-QGZVFWFLSA-N 1 3 348.451 -0.015 20 0 EBADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000846331251 584124708 /nfs/dbraw/zinc/12/47/08/584124708.db2.gz SIMHERDENDJTMR-CABCVRRESA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861756360 584337904 /nfs/dbraw/zinc/33/79/04/584337904.db2.gz YDPVUGBRQBUFDW-MGPQQGTHSA-N 1 3 336.436 -0.633 20 0 EBADHO C[C@H]1CN(CCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863548162 584372881 /nfs/dbraw/zinc/37/28/81/584372881.db2.gz OLRQSFDFCZBPTB-IMJJTQAJSA-N 1 3 338.452 -0.036 20 0 EBADHO CN(C)C[C@@H]1CN(S(=O)(=O)N=S(C)(C)=O)C[C@H]1C[NH+](C)C ZINC000867588999 584411786 /nfs/dbraw/zinc/41/17/86/584411786.db2.gz AYQOGZVKSGWWOA-VXGBXAGGSA-N 1 3 340.515 -0.370 20 0 EBADHO O=C(CNC[C@H]1CCCO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004342 584451093 /nfs/dbraw/zinc/45/10/93/584451093.db2.gz KEAJMUFNDHMYAS-DGAVXFQQSA-N 1 3 338.408 -0.852 20 0 EBADHO CN(C)C(=O)CN1CCN(C(=O)CN(C)CCCCCC[NH3+])CC1 ZINC000872155722 584458619 /nfs/dbraw/zinc/45/86/19/584458619.db2.gz UMFJQMMSRCCRLE-UHFFFAOYSA-N 1 3 341.500 -0.330 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@H](CC[N@@H+]3C)C1)C2=O ZINC000872725101 584466421 /nfs/dbraw/zinc/46/64/21/584466421.db2.gz BPIBZEBTJJIPHZ-ZIAGYGMSSA-N 1 3 335.452 -0.014 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@H](CC[N@H+]3C)C1)C2=O ZINC000872725101 584466424 /nfs/dbraw/zinc/46/64/24/584466424.db2.gz BPIBZEBTJJIPHZ-ZIAGYGMSSA-N 1 3 335.452 -0.014 20 0 EBADHO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000876139344 584512164 /nfs/dbraw/zinc/51/21/64/584512164.db2.gz KLXTYXOSMLLGCI-ZIAGYGMSSA-N 1 3 344.456 -0.301 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752484 584521947 /nfs/dbraw/zinc/52/19/47/584521947.db2.gz REZFIAOUYZEQIP-ZFWWWQNUSA-N 1 3 326.416 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OC[C@@H]1C[N@H+](C[C@H](CN2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702592 584543976 /nfs/dbraw/zinc/54/39/76/584543976.db2.gz ICSLNYMOOLSNJY-TXTZMMAHSA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@@H]1C[N@@H+](C[C@H](CN2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702592 584543978 /nfs/dbraw/zinc/54/39/78/584543978.db2.gz ICSLNYMOOLSNJY-TXTZMMAHSA-N 1 3 342.480 -0.637 20 0 EBADHO NCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883604486 584603130 /nfs/dbraw/zinc/60/31/30/584603130.db2.gz YEBOSYGJIOGLIU-HNNXBMFYSA-N 1 3 331.420 -0.016 20 0 EBADHO NCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883604486 584603131 /nfs/dbraw/zinc/60/31/31/584603131.db2.gz YEBOSYGJIOGLIU-HNNXBMFYSA-N 1 3 331.420 -0.016 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1c1ccncc1 ZINC000883642416 584604069 /nfs/dbraw/zinc/60/40/69/584604069.db2.gz LHBXLORZNAKTCN-AWEZNQCLSA-N 1 3 349.435 -0.448 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]CC2(C)C)cn1 ZINC000884226115 584619173 /nfs/dbraw/zinc/61/91/73/584619173.db2.gz LDRJOJBDAUVXDT-CYBMUJFWSA-N 1 3 336.440 -0.255 20 0 EBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000884560452 584627664 /nfs/dbraw/zinc/62/76/64/584627664.db2.gz XZDWUGRCXFXIJM-AJNGGQMLSA-N 1 3 338.452 -0.401 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884597948 584629075 /nfs/dbraw/zinc/62/90/75/584629075.db2.gz PHWOMXYFNLDIPX-GJZGRUSLSA-N 1 3 337.468 -0.907 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631274 584630711 /nfs/dbraw/zinc/63/07/11/584630711.db2.gz FHAATJZJOFKLMC-QWHCGFSZSA-N 1 3 344.406 -0.052 20 0 EBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000884640298 584631170 /nfs/dbraw/zinc/63/11/70/584631170.db2.gz ZMBMSUMETISGSW-CQSZACIVSA-N 1 3 338.452 -0.303 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000884674607 584632972 /nfs/dbraw/zinc/63/29/72/584632972.db2.gz AIBCILQPMOBRKR-CYBMUJFWSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1c1ccncc1 ZINC000884678946 584633707 /nfs/dbraw/zinc/63/37/07/584633707.db2.gz PWDGOFOCXBIGDI-DOMZBBRYSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692612 584634845 /nfs/dbraw/zinc/63/48/45/584634845.db2.gz KRXQRMAMNIECOL-UKRRQHHQSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692612 584634847 /nfs/dbraw/zinc/63/48/47/584634847.db2.gz KRXQRMAMNIECOL-UKRRQHHQSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000884725918 584636599 /nfs/dbraw/zinc/63/65/99/584636599.db2.gz CIDKBYSHSRSGDC-DZGCQCFKSA-N 1 3 347.419 -0.777 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143760 584644306 /nfs/dbraw/zinc/64/43/06/584644306.db2.gz OGOBXDMFHUMPOZ-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885292529 584647552 /nfs/dbraw/zinc/64/75/52/584647552.db2.gz WEVNPITWAQVQRI-VXGBXAGGSA-N 1 3 332.395 -0.100 20 0 EBADHO O=C(CN1C[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886327749 584663478 /nfs/dbraw/zinc/66/34/78/584663478.db2.gz QYCDGOHWOPNONB-GEEKYZPCSA-N 1 3 332.448 -0.439 20 0 EBADHO O=C(CN1C[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886327749 584663479 /nfs/dbraw/zinc/66/34/79/584663479.db2.gz QYCDGOHWOPNONB-GEEKYZPCSA-N 1 3 332.448 -0.439 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000887091787 584676259 /nfs/dbraw/zinc/67/62/59/584676259.db2.gz WGCFFQBMFOUYPO-VNHYZAJKSA-N 1 3 331.420 -0.076 20 0 EBADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000124202967 649975204 /nfs/dbraw/zinc/97/52/04/649975204.db2.gz SHKAILGRBNSBRG-UHFFFAOYSA-N 1 3 336.440 -0.063 20 0 EBADHO COC(=O)[C@H]1CN(C)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000910414058 650110808 /nfs/dbraw/zinc/11/08/08/650110808.db2.gz YYZHCMYFFQJTPL-UONOGXRCSA-N 1 3 325.409 -0.730 20 0 EBADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000910976571 650142932 /nfs/dbraw/zinc/14/29/32/650142932.db2.gz BAJMJHNAYBHJPJ-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911002973 650144878 /nfs/dbraw/zinc/14/48/78/650144878.db2.gz DVJGSHKXPAKSGC-QGZVFWFLSA-N 1 3 338.452 -0.432 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)N1CCC(C)CC1 ZINC000911091775 650150677 /nfs/dbraw/zinc/15/06/77/650150677.db2.gz PUGPZCQCFACYHW-WMLDXEAASA-N 1 3 340.468 -0.465 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000911147798 650154319 /nfs/dbraw/zinc/15/43/19/650154319.db2.gz JOCAAHGOTCOHFO-KGLIPLIRSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911149184 650154948 /nfs/dbraw/zinc/15/49/48/650154948.db2.gz VBPCKZPXDXDJJY-CPUCHLNUSA-N 1 3 336.436 -0.680 20 0 EBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149167 650155026 /nfs/dbraw/zinc/15/50/26/650155026.db2.gz VAZYLOHSNFYLSX-KKUMJFAQSA-N 1 3 338.452 -0.386 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911160560 650155328 /nfs/dbraw/zinc/15/53/28/650155328.db2.gz FBBOEAOGTHTIMP-INIZCTEOSA-N 1 3 326.441 -0.853 20 0 EBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911161252 650155348 /nfs/dbraw/zinc/15/53/48/650155348.db2.gz JOTJEHMNJNSENA-BBRMVZONSA-N 1 3 326.441 -0.853 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911177468 650157078 /nfs/dbraw/zinc/15/70/78/650157078.db2.gz SENOBURFJJRFKO-RHSMWYFYSA-N 1 3 340.468 -0.199 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(C)C ZINC000911199120 650159075 /nfs/dbraw/zinc/15/90/75/650159075.db2.gz LAGBSBGKKFIIHQ-OAHLLOKOSA-N 1 3 330.498 -0.004 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911207254 650159747 /nfs/dbraw/zinc/15/97/47/650159747.db2.gz GTLMVDPBGLDCAF-XJKSGUPXSA-N 1 3 326.441 -0.711 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911259281 650163829 /nfs/dbraw/zinc/16/38/29/650163829.db2.gz XHILLKBBKKBVHA-CXAGYDPISA-N 1 3 340.468 -0.465 20 0 EBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccnc1 ZINC000911312155 650170269 /nfs/dbraw/zinc/17/02/69/650170269.db2.gz VQSCOBIYYBTPKB-LSDHHAIUSA-N 1 3 349.435 -0.705 20 0 EBADHO CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000911311074 650170350 /nfs/dbraw/zinc/17/03/50/650170350.db2.gz OVPDXTKBGKKVLI-XOYHFGRZSA-N 1 3 338.452 -0.386 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911531292 650190836 /nfs/dbraw/zinc/19/08/36/650190836.db2.gz GOYGIVGOQWZHTG-INIZCTEOSA-N 1 3 326.441 -0.853 20 0 EBADHO CN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C1(C[NH3+])CCOCC1 ZINC000911533054 650190991 /nfs/dbraw/zinc/19/09/91/650190991.db2.gz MUSBDMJKTPQPGQ-UHFFFAOYSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000911545675 650192788 /nfs/dbraw/zinc/19/27/88/650192788.db2.gz QUMZUFXSQCLFDH-CYBMUJFWSA-N 1 3 336.440 -0.363 20 0 EBADHO O=C(CN1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000923319953 650338084 /nfs/dbraw/zinc/33/80/84/650338084.db2.gz RBBOWCUDGVWJCC-MRXNPFEDSA-N 1 3 336.480 -0.005 20 0 EBADHO NCC(C[NH3+])NCc1cc(=O)n2cc(Br)ccc2n1 ZINC000923353104 650339052 /nfs/dbraw/zinc/33/90/52/650339052.db2.gz SSUKRMBZXVKDNV-UHFFFAOYSA-N 1 3 326.198 -0.167 20 0 EBADHO CC(=O)N1CCN(C(=O)CN2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923458902 650341280 /nfs/dbraw/zinc/34/12/80/650341280.db2.gz WHBBPMWLQCAYIK-HNNXBMFYSA-N 1 3 338.452 -0.493 20 0 EBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000923661734 650351366 /nfs/dbraw/zinc/35/13/66/650351366.db2.gz KRMVZZOGJWIEIU-ZJUUUORDSA-N 1 3 330.376 -0.405 20 0 EBADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926321545 650386059 /nfs/dbraw/zinc/38/60/59/650386059.db2.gz QYNYFBUFACPUEB-AWEZNQCLSA-N 1 3 339.484 -0.804 20 0 EBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926381866 650390246 /nfs/dbraw/zinc/39/02/46/650390246.db2.gz YHXPXDUMBCUIDE-BBRMVZONSA-N 1 3 326.441 -0.760 20 0 EBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927638967 651506079 /nfs/dbraw/zinc/50/60/79/651506079.db2.gz FZNPCHLHSMURCS-ZBFHGGJFSA-N 1 3 328.457 -0.149 20 0 EBADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCNc2cccc(C)n2)C1 ZINC000930010532 651577205 /nfs/dbraw/zinc/57/72/05/651577205.db2.gz VSJNRGWWWFHUMP-AWEZNQCLSA-N 1 3 349.435 -0.245 20 0 EBADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCNc2cccc(C)n2)C1 ZINC000930010532 651577208 /nfs/dbraw/zinc/57/72/08/651577208.db2.gz VSJNRGWWWFHUMP-AWEZNQCLSA-N 1 3 349.435 -0.245 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C[NH+](C)C ZINC000932469224 651682820 /nfs/dbraw/zinc/68/28/20/651682820.db2.gz NADSQMHNGRXWFO-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000944679880 653148159 /nfs/dbraw/zinc/14/81/59/653148159.db2.gz KPWCLYXGXKDZMI-AWEZNQCLSA-N 1 3 347.419 -0.608 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000946921117 653265823 /nfs/dbraw/zinc/26/58/23/653265823.db2.gz BJCGGFRTIZFGLI-MCIONIFRSA-N 1 3 338.452 -0.842 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000946921117 653265832 /nfs/dbraw/zinc/26/58/32/653265832.db2.gz BJCGGFRTIZFGLI-MCIONIFRSA-N 1 3 338.452 -0.842 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3OCCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000961052980 722891039 /nfs/dbraw/zinc/89/10/39/722891039.db2.gz FIPKRVTXCQOLCY-VHDGCEQUSA-N 1 3 347.419 -0.658 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3OCCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000961052980 722891041 /nfs/dbraw/zinc/89/10/41/722891041.db2.gz FIPKRVTXCQOLCY-VHDGCEQUSA-N 1 3 347.419 -0.658 20 0 EBADHO O=C(N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030248 728776874 /nfs/dbraw/zinc/77/68/74/728776874.db2.gz FOBGQKRONZFYQG-UONOGXRCSA-N 1 3 348.447 -0.142 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962293591 723219035 /nfs/dbraw/zinc/21/90/35/723219035.db2.gz PHHLKSUMNGBFMK-NYTXWWLZSA-N 1 3 335.452 -0.600 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962293591 723219037 /nfs/dbraw/zinc/21/90/37/723219037.db2.gz PHHLKSUMNGBFMK-NYTXWWLZSA-N 1 3 335.452 -0.600 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)cn1 ZINC001019496966 728900811 /nfs/dbraw/zinc/90/08/11/728900811.db2.gz HUMBEKDFMBOPMO-LSDHHAIUSA-N 1 3 348.451 -0.473 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)N(C)C ZINC000968452879 725065993 /nfs/dbraw/zinc/06/59/93/725065993.db2.gz VIUMRJQWMWMPBA-KFWWJZLASA-N 1 3 340.468 -0.644 20 0 EBADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC000968719374 725109339 /nfs/dbraw/zinc/10/93/39/725109339.db2.gz RZLNIFIMAAVTAC-KGLIPLIRSA-N 1 3 348.451 -0.521 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CCC1 ZINC000968904100 725127201 /nfs/dbraw/zinc/12/72/01/725127201.db2.gz JIFYERMFJIEVAU-GFCCVEGCSA-N 1 3 337.424 -0.787 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC000968990190 725139532 /nfs/dbraw/zinc/13/95/32/725139532.db2.gz XDSQRGGIBRTAMN-OCCSQVGLSA-N 1 3 339.440 -0.685 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000969952063 725231608 /nfs/dbraw/zinc/23/16/08/725231608.db2.gz UYTZTUPKOFKAOH-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000969952063 725231610 /nfs/dbraw/zinc/23/16/10/725231610.db2.gz UYTZTUPKOFKAOH-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000969952066 725231661 /nfs/dbraw/zinc/23/16/61/725231661.db2.gz UYTZTUPKOFKAOH-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000969952066 725231662 /nfs/dbraw/zinc/23/16/62/725231662.db2.gz UYTZTUPKOFKAOH-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000970102980 725251173 /nfs/dbraw/zinc/25/11/73/725251173.db2.gz JDGSNTZKUUKOLI-CHWSQXEVSA-N 1 3 340.449 -0.033 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000970104010 725251434 /nfs/dbraw/zinc/25/14/34/725251434.db2.gz XPQAXCUVMCCWBI-NWDGAFQWSA-N 1 3 326.422 -0.423 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234640 725481618 /nfs/dbraw/zinc/48/16/18/725481618.db2.gz IIWKQZXJBQYLCT-OAHLLOKOSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001051654971 735296154 /nfs/dbraw/zinc/29/61/54/735296154.db2.gz BKCQOOWFSDIAON-LSDHHAIUSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895811 725670344 /nfs/dbraw/zinc/67/03/44/725670344.db2.gz UACOIVUHFMYILI-CZUORRHYSA-N 1 3 334.464 -0.003 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896463 725670667 /nfs/dbraw/zinc/67/06/67/725670667.db2.gz WBDAAFLJIKKQRF-HZPDHXFCSA-N 1 3 334.464 -0.005 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)n1 ZINC000992059440 725712018 /nfs/dbraw/zinc/71/20/18/725712018.db2.gz CLMLGTNAZDTMEF-UHFFFAOYSA-N 1 3 348.451 -0.519 20 0 EBADHO CN(CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C1CCC1 ZINC000996665506 726421542 /nfs/dbraw/zinc/42/15/42/726421542.db2.gz MHYIXWFCPVNOQC-CQSZACIVSA-N 1 3 336.436 -0.144 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000997040236 726435535 /nfs/dbraw/zinc/43/55/35/726435535.db2.gz FCCQFFRGWATCHX-UHFFFAOYSA-N 1 3 334.380 -0.915 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997611783 726457426 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346.475 -0.003 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC001051904835 735456340 /nfs/dbraw/zinc/45/63/40/735456340.db2.gz VLTDKKBDDSNQPS-CYBMUJFWSA-N 1 3 334.424 -0.474 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC001019772919 728988461 /nfs/dbraw/zinc/98/84/61/728988461.db2.gz WJXIIMOHLURWQQ-KBPBESRZSA-N 1 3 344.481 -0.836 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC001019772919 728988463 /nfs/dbraw/zinc/98/84/63/728988463.db2.gz WJXIIMOHLURWQQ-KBPBESRZSA-N 1 3 344.481 -0.836 20 0 EBADHO O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406281 729160537 /nfs/dbraw/zinc/16/05/37/729160537.db2.gz OZQRNBJXCHWRGH-NWCRCAFSSA-N 1 3 348.447 -0.635 20 0 EBADHO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001023550835 729721647 /nfs/dbraw/zinc/72/16/47/729721647.db2.gz NTDMSAXQRFBHTQ-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001023550835 729721649 /nfs/dbraw/zinc/72/16/49/729721649.db2.gz NTDMSAXQRFBHTQ-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026367335 730140970 /nfs/dbraw/zinc/14/09/70/730140970.db2.gz SUZSRYINSJMBQC-QEJZJMRPSA-N 1 3 346.435 -0.196 20 0 EBADHO O=C(NC[C@H]1CCN(CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028931740 730372275 /nfs/dbraw/zinc/37/22/75/730372275.db2.gz WVVRIAUDYRYYCE-CQSZACIVSA-N 1 3 348.447 -0.331 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)cn1 ZINC001035075631 731182788 /nfs/dbraw/zinc/18/27/88/731182788.db2.gz OZTGXMMKTUVCMB-CABCVRRESA-N 1 3 348.451 -0.473 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797401 731878690 /nfs/dbraw/zinc/87/86/90/731878690.db2.gz FYYWNLXHAPEPRS-RHSMWYFYSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001040799396 731880333 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/nfs/dbraw/zinc/00/69/72/734006972.db2.gz WLUZZKQSXCBPSD-KGLIPLIRSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046692550 734007131 /nfs/dbraw/zinc/00/71/31/734007131.db2.gz WLUZZKQSXCBPSD-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046692550 734007133 /nfs/dbraw/zinc/00/71/33/734007133.db2.gz WLUZZKQSXCBPSD-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO CN(CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C)C1CCC1 ZINC001061861127 738790637 /nfs/dbraw/zinc/79/06/37/738790637.db2.gz DMLXXVJWJSCNDM-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]1CCCN1CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061907151 738809544 /nfs/dbraw/zinc/80/95/44/738809544.db2.gz BHQUXWHUVOMNMC-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001048824285 734526334 /nfs/dbraw/zinc/52/63/34/734526334.db2.gz XMYPKYFDKRSZGD-FZKCQIBNSA-N 1 3 334.464 -0.018 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O)N(C)C ZINC001049027545 734620118 /nfs/dbraw/zinc/62/01/18/734620118.db2.gz OGJUSAJRTLWFLZ-ILXRZTDVSA-N 1 3 342.484 -0.302 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O)N(C)C ZINC001049027545 734620119 /nfs/dbraw/zinc/62/01/19/734620119.db2.gz OGJUSAJRTLWFLZ-ILXRZTDVSA-N 1 3 342.484 -0.302 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058811 734630027 /nfs/dbraw/zinc/63/00/27/734630027.db2.gz IMMYIQIOGICOQR-XQLPTFJDSA-N 1 3 348.447 -0.476 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058811 734630030 /nfs/dbraw/zinc/63/00/30/734630030.db2.gz IMMYIQIOGICOQR-XQLPTFJDSA-N 1 3 348.447 -0.476 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001049631809 734768725 /nfs/dbraw/zinc/76/87/25/734768725.db2.gz PBYKLSMJCLNYHK-KBPBESRZSA-N 1 3 349.435 -0.676 20 0 EBADHO CN(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057636616 737376807 /nfs/dbraw/zinc/37/68/07/737376807.db2.gz VLQVKZPPILVLJA-CABCVRRESA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001057636616 737376809 /nfs/dbraw/zinc/37/68/09/737376809.db2.gz VLQVKZPPILVLJA-CABCVRRESA-N 1 3 340.468 -0.785 20 0 EBADHO CCCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057854881 737476031 /nfs/dbraw/zinc/47/60/31/737476031.db2.gz YUNSMJADDPTFGS-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO CN(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057876594 737496326 /nfs/dbraw/zinc/49/63/26/737496326.db2.gz NKWLHYUNAUOJPA-CABCVRRESA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001057876594 737496327 /nfs/dbraw/zinc/49/63/27/737496327.db2.gz NKWLHYUNAUOJPA-CABCVRRESA-N 1 3 340.468 -0.785 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057877059 737496624 /nfs/dbraw/zinc/49/66/24/737496624.db2.gz XSMJDFOPGYYJEX-INIZCTEOSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001057975546 737573172 /nfs/dbraw/zinc/57/31/72/737573172.db2.gz VZNHGYLOIPGQRG-CABCVRRESA-N 1 3 344.500 -0.150 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058159561 737682893 /nfs/dbraw/zinc/68/28/93/737682893.db2.gz NVZSXFBOHARPMW-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058159561 737682894 /nfs/dbraw/zinc/68/28/94/737682894.db2.gz NVZSXFBOHARPMW-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001058162048 737685514 /nfs/dbraw/zinc/68/55/14/737685514.db2.gz IWWBIHDNFDNYTP-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](CC)N(C)C ZINC001058252471 737734997 /nfs/dbraw/zinc/73/49/97/737734997.db2.gz LFXWKZSRINRLDL-OAHLLOKOSA-N 1 3 344.500 -0.004 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](CC)N(C)C ZINC001058252471 737734999 /nfs/dbraw/zinc/73/49/99/737734999.db2.gz LFXWKZSRINRLDL-OAHLLOKOSA-N 1 3 344.500 -0.004 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058255091 737736712 /nfs/dbraw/zinc/73/67/12/737736712.db2.gz BNURSASLCQTQLU-AWEZNQCLSA-N 1 3 328.457 -0.783 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058255091 737736713 /nfs/dbraw/zinc/73/67/13/737736713.db2.gz BNURSASLCQTQLU-AWEZNQCLSA-N 1 3 328.457 -0.783 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601819 737917220 /nfs/dbraw/zinc/91/72/20/737917220.db2.gz QZPVMUFAZFFMCI-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1 ZINC001058848004 738030476 /nfs/dbraw/zinc/03/04/76/738030476.db2.gz ZEJGBDOQEUMBOM-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CN(C)[C@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001065260098 739617302 /nfs/dbraw/zinc/61/73/02/739617302.db2.gz IAWFKNNNHTZYCZ-ZBFHGGJFSA-N 1 3 340.468 -0.378 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572465 739769015 /nfs/dbraw/zinc/76/90/15/739769015.db2.gz RDOIKUWTJDQHGC-ZDUSSCGKSA-N 1 3 337.424 -0.444 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001065672549 739836642 /nfs/dbraw/zinc/83/66/42/739836642.db2.gz UQESFJDRTFYMLL-HIFRSBDPSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001065672549 739836645 /nfs/dbraw/zinc/83/66/45/739836645.db2.gz UQESFJDRTFYMLL-HIFRSBDPSA-N 1 3 349.435 -0.362 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069041264 740528712 /nfs/dbraw/zinc/52/87/12/740528712.db2.gz WEEBCGURMNNOOR-CQSZACIVSA-N 1 3 349.435 -0.220 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069041264 740528714 /nfs/dbraw/zinc/52/87/14/740528714.db2.gz WEEBCGURMNNOOR-CQSZACIVSA-N 1 3 349.435 -0.220 20 0 EBADHO CN(CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001070500786 740850671 /nfs/dbraw/zinc/85/06/71/740850671.db2.gz HNPVOMKTOFISNL-GOEBONIOSA-N 1 3 335.452 -0.219 20 0 EBADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001070718746 740927304 /nfs/dbraw/zinc/92/73/04/740927304.db2.gz HFBSMTANFFGHHM-RBSFLKMASA-N 1 3 335.452 -0.219 20 0 EBADHO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2)C1CC1 ZINC001072814881 741492739 /nfs/dbraw/zinc/49/27/39/741492739.db2.gz NYFZHCADETUTHB-OAHLLOKOSA-N 1 3 349.479 -0.114 20 0 EBADHO C[NH+](C)CCC(=O)N1CCN(C2CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001073600561 741680626 /nfs/dbraw/zinc/68/06/26/741680626.db2.gz NMXWLCCTWRMMNZ-UHFFFAOYSA-N 1 3 348.451 -0.741 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001074713239 742083619 /nfs/dbraw/zinc/08/36/19/742083619.db2.gz OMLVLVSNFDXXDD-CQSZACIVSA-N 1 3 342.484 -0.252 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076206418 742405522 /nfs/dbraw/zinc/40/55/22/742405522.db2.gz NQZYJJYRKWHMNK-SOUVJXGZSA-N 1 3 348.447 -0.334 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001076462541 742476392 /nfs/dbraw/zinc/47/63/92/742476392.db2.gz YZYAMMYYOFKCRX-OWCLPIDISA-N 1 3 349.479 -0.114 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC001076462541 742476395 /nfs/dbraw/zinc/47/63/95/742476395.db2.gz YZYAMMYYOFKCRX-OWCLPIDISA-N 1 3 349.479 -0.114 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCCO2)n[nH]1 ZINC001078508757 743685154 /nfs/dbraw/zinc/68/51/54/743685154.db2.gz XOLXEAIEORJASA-KGLIPLIRSA-N 1 3 336.440 -0.228 20 0 EBADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCCO2)n[nH]1 ZINC001078508757 743685155 /nfs/dbraw/zinc/68/51/55/743685155.db2.gz XOLXEAIEORJASA-KGLIPLIRSA-N 1 3 336.440 -0.228 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980390784 805878634 /nfs/dbraw/zinc/87/86/34/805878634.db2.gz KHZQJWVLIFSXRD-KBPBESRZSA-N 1 3 336.436 -0.380 20 0 EBADHO CN(CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980390784 805878643 /nfs/dbraw/zinc/87/86/43/805878643.db2.gz KHZQJWVLIFSXRD-KBPBESRZSA-N 1 3 336.436 -0.380 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000977201413 804212413 /nfs/dbraw/zinc/21/24/13/804212413.db2.gz HPFHQZAMGLJIHB-NMNMXBMNSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000977201413 804212422 /nfs/dbraw/zinc/21/24/22/804212422.db2.gz HPFHQZAMGLJIHB-NMNMXBMNSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985722326 807569522 /nfs/dbraw/zinc/56/95/22/807569522.db2.gz YDUWMZSUUQNPBS-CYBMUJFWSA-N 1 3 340.468 -0.106 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)CN1CCCC1 ZINC000989796083 808596334 /nfs/dbraw/zinc/59/63/34/808596334.db2.gz HEWOFWIREBITAZ-KGLIPLIRSA-N 1 3 336.436 -0.190 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214755040 810275262 /nfs/dbraw/zinc/27/52/62/810275262.db2.gz PGAKGRIWPFPWPB-IJLUTSLNSA-N 1 3 345.419 -0.702 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214847455 810285466 /nfs/dbraw/zinc/28/54/66/810285466.db2.gz FJSKYQWYJSIMIP-GHMZBOCLSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215550861 810334987 /nfs/dbraw/zinc/33/49/87/810334987.db2.gz GQFXHPILBZIHFO-VXGBXAGGSA-N 1 3 339.440 -0.650 20 0 EBADHO CNC(=O)CN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599056 810337040 /nfs/dbraw/zinc/33/70/40/810337040.db2.gz PDHNSFUYBOUNPH-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217269 810364698 /nfs/dbraw/zinc/36/46/98/810364698.db2.gz NTKJOYSTZLBWTP-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217269 810364705 /nfs/dbraw/zinc/36/47/05/810364705.db2.gz NTKJOYSTZLBWTP-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216402181 810372835 /nfs/dbraw/zinc/37/28/35/810372835.db2.gz WVSPCAGJAGYOJI-HUUCEWRRSA-N 1 3 342.484 -0.132 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216851592 810395952 /nfs/dbraw/zinc/39/59/52/810395952.db2.gz BFBXTWVPAXPAGJ-ZIAGYGMSSA-N 1 3 348.513 -0.346 20 0 EBADHO COc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C(N)=O)cc1OC ZINC001218968599 810549978 /nfs/dbraw/zinc/54/99/78/810549978.db2.gz IPYRXSZRIHALHB-JTQLQIEISA-N 1 3 334.376 -0.450 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218998529 810552363 /nfs/dbraw/zinc/55/23/63/810552363.db2.gz OKEXPIGARXHRSN-SUHUHFCYSA-N 1 3 347.419 -0.591 20 0 EBADHO Cc1ccnc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001219599783 810764839 /nfs/dbraw/zinc/76/48/39/810764839.db2.gz FQYPAWTYASOWAK-KBPBESRZSA-N 1 3 348.451 -0.151 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720397 810807405 /nfs/dbraw/zinc/80/74/05/810807405.db2.gz LIZMUPGLGOEEPX-XDQVBPFNSA-N 1 3 328.457 -0.267 20 0 EBADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847366 810877476 /nfs/dbraw/zinc/87/74/76/810877476.db2.gz FBKAOUDKVBGVQV-IQWQSGHPSA-N 1 3 333.432 -0.057 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccnn1 ZINC001220018805 810949617 /nfs/dbraw/zinc/94/96/17/810949617.db2.gz TYLUAVFAOWSCCU-KBPBESRZSA-N 1 3 334.424 -0.460 20 0 EBADHO COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CCN(Cc2ccccc2)C1 ZINC001220228286 811026724 /nfs/dbraw/zinc/02/67/24/811026724.db2.gz HJEHTCKVPWNEKI-RLFYNMQTSA-N 1 3 346.431 -0.391 20 0 EBADHO COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CCN(Cc2ccccc2)C1 ZINC001220228286 811026728 /nfs/dbraw/zinc/02/67/28/811026728.db2.gz HJEHTCKVPWNEKI-RLFYNMQTSA-N 1 3 346.431 -0.391 20 0 EBADHO CCOC(=O)C1=C(NC(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CCNC1 ZINC001220521766 811137551 /nfs/dbraw/zinc/13/75/51/811137551.db2.gz NYSRSHAHMWFKTB-JMSVASOKSA-N 1 3 337.420 -0.072 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2OC(C)=O)CCNC1 ZINC001220523520 811138835 /nfs/dbraw/zinc/13/88/35/811138835.db2.gz RCNWSELIEWEDRY-AAEUAGOBSA-N 1 3 325.365 -0.936 20 0 EBADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220565584 811157528 /nfs/dbraw/zinc/15/75/28/811157528.db2.gz NVEFYKHQZKICBY-DDUZABMNSA-N 1 3 346.431 -0.129 20 0 EBADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220567607 811158239 /nfs/dbraw/zinc/15/82/39/811158239.db2.gz HFNFPKCQYDPUNR-HUUCEWRRSA-N 1 3 334.420 -0.001 20 0 EBADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220769773 811234852 /nfs/dbraw/zinc/23/48/52/811234852.db2.gz QSAVDZMDCNZJJF-UONOGXRCSA-N 1 3 339.440 -0.320 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789333 811243118 /nfs/dbraw/zinc/24/31/18/811243118.db2.gz KMWUCVRTCDDNEZ-MCIONIFRSA-N 1 3 334.424 -0.376 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001036829526 811276903 /nfs/dbraw/zinc/27/69/03/811276903.db2.gz GSFRNKKFJFZSHC-ZFWWWQNUSA-N 1 3 346.435 -0.100 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036829526 811276908 /nfs/dbraw/zinc/27/69/08/811276908.db2.gz GSFRNKKFJFZSHC-ZFWWWQNUSA-N 1 3 346.435 -0.100 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878890 811279319 /nfs/dbraw/zinc/27/93/19/811279319.db2.gz VJTKGFPMNLZKME-ZDUSSCGKSA-N 1 3 340.424 -0.897 20 0 EBADHO N[C@]1(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)CC[NH2+]C1 ZINC001220970971 811316745 /nfs/dbraw/zinc/31/67/45/811316745.db2.gz NUPMIHYZHBLLBA-GOSISDBHSA-N 1 3 345.447 -0.687 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220987223 811327672 /nfs/dbraw/zinc/32/76/72/811327672.db2.gz KFCGJEFAADRDQU-OAGGEKHMSA-N 1 3 343.468 -0.459 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220987223 811327680 /nfs/dbraw/zinc/32/76/80/811327680.db2.gz KFCGJEFAADRDQU-OAGGEKHMSA-N 1 3 343.468 -0.459 20 0 EBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC[NH3+])C(=O)OC ZINC001221188382 811411507 /nfs/dbraw/zinc/41/15/07/811411507.db2.gz UUTHKNJKIWCTHD-QWRGUYRKSA-N 1 3 331.413 -0.297 20 0 EBADHO O=C(NCCN1CCCS1(=O)=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221335515 811443674 /nfs/dbraw/zinc/44/36/74/811443674.db2.gz HNYJDMMYMDNABG-GFCCVEGCSA-N 1 3 330.454 -0.988 20 0 EBADHO O=C(NCCN1CCCS1(=O)=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221335515 811443680 /nfs/dbraw/zinc/44/36/80/811443680.db2.gz HNYJDMMYMDNABG-GFCCVEGCSA-N 1 3 330.454 -0.988 20 0 EBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221398352 811451281 /nfs/dbraw/zinc/45/12/81/811451281.db2.gz YHPVCODWLGDBDB-HOTGVXAUSA-N 1 3 342.443 -0.067 20 0 EBADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001080138794 811913307 /nfs/dbraw/zinc/91/33/07/811913307.db2.gz OYGPESPIXUXQFH-OAHLLOKOSA-N 1 3 342.484 -0.036 20 0 EBADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001080191978 811932680 /nfs/dbraw/zinc/93/26/80/811932680.db2.gz FOWGYBVQJAEJQF-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO C[C@@H](COCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O)[NH+]1CCCC1 ZINC001228669562 811992776 /nfs/dbraw/zinc/99/27/76/811992776.db2.gz SMYRBRATCRBYIJ-RRFJBIMHSA-N 1 3 340.468 -0.010 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001229232127 812021833 /nfs/dbraw/zinc/02/18/33/812021833.db2.gz YGCKCDUMAGXYBC-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229853281 812059388 /nfs/dbraw/zinc/05/93/88/812059388.db2.gz QGSQHOOODONWPY-CHWSQXEVSA-N 1 3 341.456 -0.070 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001229853281 812059398 /nfs/dbraw/zinc/05/93/98/812059398.db2.gz QGSQHOOODONWPY-CHWSQXEVSA-N 1 3 341.456 -0.070 20 0 EBADHO CC(=O)NCCOCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262568 812092774 /nfs/dbraw/zinc/09/27/74/812092774.db2.gz GNZRCJQYVSUUDL-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262568 812092784 /nfs/dbraw/zinc/09/27/84/812092784.db2.gz GNZRCJQYVSUUDL-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@H](N4CC(C[NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236079246 812516022 /nfs/dbraw/zinc/51/60/22/812516022.db2.gz MXNAIIJQOZEMKL-QMHWVQJVSA-N 1 3 341.452 -0.421 20 0 EBADHO Cc1nc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cn1C ZINC001238243954 812525177 /nfs/dbraw/zinc/52/51/77/812525177.db2.gz XAJDUPFTXYMJOG-GFCCVEGCSA-N 1 3 327.454 -0.119 20 0 EBADHO OCCc1ccc(OC[C@@H](O)CNC2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245991732 812558743 /nfs/dbraw/zinc/55/87/43/812558743.db2.gz WIFSXXQQKIMCPY-SFHVURJKSA-N 1 3 349.475 -0.013 20 0 EBADHO COC(=O)[C@@H]1C[C@@H](NC2CN(C3CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246218848 812569192 /nfs/dbraw/zinc/56/91/92/812569192.db2.gz UNSPSKBYPLNNRU-UWEBFBLFSA-N 1 3 339.436 -0.247 20 0 EBADHO CC[C@@]1(C(=O)OC)C[C@@H](NCCOCCOCCOCC[NH3+])CN1 ZINC001246289005 812569331 /nfs/dbraw/zinc/56/93/31/812569331.db2.gz MXMIPELBWNLEHO-ZBFHGGJFSA-N 1 3 347.456 -0.732 20 0 EBADHO O=C(c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2)N1CC=CC1 ZINC001246704430 812581789 /nfs/dbraw/zinc/58/17/89/812581789.db2.gz GLNZNSATSYAGIN-CYBMUJFWSA-N 1 3 342.447 -0.193 20 0 EBADHO CCOC(=O)[C@]12CN([C@H]3CC[C@@H](C(=O)OC)NC3)C[C@H]1C[NH2+]CC2 ZINC001246854038 812590320 /nfs/dbraw/zinc/59/03/20/812590320.db2.gz BTULXRRFPGCIGP-XJIUQZFPSA-N 1 3 339.436 -0.245 20 0 EBADHO CCOC(=O)[C@@H]1CN([C@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009127 812596137 /nfs/dbraw/zinc/59/61/37/812596137.db2.gz OKVBOZCVTCIRHU-IHRRRGAJSA-N 1 3 339.436 -0.245 20 0 EBADHO NC(=O)CNC(=O)CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254055034 812692368 /nfs/dbraw/zinc/69/23/68/812692368.db2.gz HADSYMNZERPCOS-UHFFFAOYSA-N 1 3 334.420 -0.795 20 0 EBADHO Nc1ccncc1-c1cn(CCOCCOCCOCC[NH3+])nn1 ZINC001254152297 812698006 /nfs/dbraw/zinc/69/80/06/812698006.db2.gz JMYKXLUYSOVACJ-UHFFFAOYSA-N 1 3 336.396 -0.239 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCC(N)=O)CC2)CC1 ZINC001261548431 812934806 /nfs/dbraw/zinc/93/48/06/812934806.db2.gz PLYHDWSADWMFRM-UHFFFAOYSA-N 1 3 340.468 -0.199 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001262075033 813034707 /nfs/dbraw/zinc/03/47/07/813034707.db2.gz ILMMASRNFKGWIL-GJZGRUSLSA-N 1 3 339.484 -0.532 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001081553352 813166060 /nfs/dbraw/zinc/16/60/60/813166060.db2.gz IJNYIUCSHJDAOW-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001081553352 813166066 /nfs/dbraw/zinc/16/60/66/813166066.db2.gz IJNYIUCSHJDAOW-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)CCC1 ZINC001081556366 813174528 /nfs/dbraw/zinc/17/45/28/813174528.db2.gz NLCRDBMSWFIBGT-UONOGXRCSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001265636552 813353714 /nfs/dbraw/zinc/35/37/14/813353714.db2.gz LHNUWANMJOEABC-ZIAGYGMSSA-N 1 3 338.452 -0.040 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265895844 813408005 /nfs/dbraw/zinc/40/80/05/813408005.db2.gz TWHMLTLWZOJIKE-STQMWFEESA-N 1 3 337.424 -0.787 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001265981923 813432654 /nfs/dbraw/zinc/43/26/54/813432654.db2.gz ABYBLUTWONWCRZ-CQSZACIVSA-N 1 3 337.468 -0.066 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC1 ZINC001081700351 813437100 /nfs/dbraw/zinc/43/71/00/813437100.db2.gz HJPNFDAJXAXGOB-TZMCWYRMSA-N 1 3 349.435 -0.771 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701562 813440254 /nfs/dbraw/zinc/44/02/54/813440254.db2.gz XHFPEFNKYYEMEO-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001266793621 813671987 /nfs/dbraw/zinc/67/19/87/813671987.db2.gz RGZXFGXIXJJWEJ-UONOGXRCSA-N 1 3 348.513 -0.296 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110672 813761447 /nfs/dbraw/zinc/76/14/47/813761447.db2.gz HAXFLQXDONERMU-ZDUSSCGKSA-N 1 3 339.440 -0.587 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001267450181 813898927 /nfs/dbraw/zinc/89/89/27/813898927.db2.gz NJKUZLUDOIQWNL-AWEZNQCLSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474301 813910502 /nfs/dbraw/zinc/91/05/02/813910502.db2.gz PEUZYBNORPGERZ-HIFRSBDPSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N1CCC1 ZINC001082515557 813959947 /nfs/dbraw/zinc/95/99/47/813959947.db2.gz QYUXAJPNOPBEQU-VNQPRFMTSA-N 1 3 334.464 -0.003 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001267958230 814075674 /nfs/dbraw/zinc/07/56/74/814075674.db2.gz WXBNDSBZQDVMRI-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NC/C=C\CN[C@H]2CCNC2=O)n1 ZINC001268539578 814280283 /nfs/dbraw/zinc/28/02/83/814280283.db2.gz VJUVLGBGDIDGTJ-SCOBNMCVSA-N 1 3 334.424 -0.791 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001268551777 814287575 /nfs/dbraw/zinc/28/75/75/814287575.db2.gz FKMJHCOXICSSBI-GWSUEFFPSA-N 1 3 336.436 -0.072 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001268551777 814287586 /nfs/dbraw/zinc/28/75/86/814287586.db2.gz FKMJHCOXICSSBI-GWSUEFFPSA-N 1 3 336.436 -0.072 20 0 EBADHO C[C@@H](NC/C=C\CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606995 814315531 /nfs/dbraw/zinc/31/55/31/814315531.db2.gz RUKWWHCSZOKZLG-GEXIGZQTSA-N 1 3 340.468 -0.164 20 0 EBADHO CN(C)CCN1CC2(CN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001269173189 814564742 /nfs/dbraw/zinc/56/47/42/814564742.db2.gz RVAPMIXIKZGKNW-CQSZACIVSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1CC2(CN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001269173189 814564750 /nfs/dbraw/zinc/56/47/50/814564750.db2.gz RVAPMIXIKZGKNW-CQSZACIVSA-N 1 3 338.452 -0.670 20 0 EBADHO C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)N1CCCC1 ZINC001269248966 814595105 /nfs/dbraw/zinc/59/51/05/814595105.db2.gz VRMZBRQXHOKZKI-AWEZNQCLSA-N 1 3 338.452 -0.528 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)n1 ZINC001084351887 815900848 /nfs/dbraw/zinc/90/08/48/815900848.db2.gz DDVHBCWWUQWGHA-GDBMZVCRSA-N 1 3 335.452 -0.027 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001270921019 815932107 /nfs/dbraw/zinc/93/21/07/815932107.db2.gz DHFZHOIWIFQQSP-QWHCGFSZSA-N 1 3 334.486 -0.544 20 0 EBADHO CC(C)[C@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)N(C)C ZINC001270954762 815939011 /nfs/dbraw/zinc/93/90/11/815939011.db2.gz PXLCUZCCBUSSDA-OAHLLOKOSA-N 1 3 340.468 -0.426 20 0 EBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001270962310 815939745 /nfs/dbraw/zinc/93/97/45/815939745.db2.gz HTJANQPOYRCDSN-OKILXGFUSA-N 1 3 338.452 -0.672 20 0 EBADHO CN1CCC(O)(C(=O)N2CCCC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001271803347 816217160 /nfs/dbraw/zinc/21/71/60/816217160.db2.gz CKCAIAZSZDJPGD-UHFFFAOYSA-N 1 3 338.496 -0.071 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)CCC1 ZINC001086982161 816433313 /nfs/dbraw/zinc/43/33/13/816433313.db2.gz WPKWRAOBZZZXRC-LSDHHAIUSA-N 1 3 335.452 -0.219 20 0 EBADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCN(C)C[C@]2(CCCC(=O)N2)C1 ZINC001272556113 816473132 /nfs/dbraw/zinc/47/31/32/816473132.db2.gz VVRVWEHCZJXTDO-RHSMWYFYSA-N 1 3 337.468 -0.955 20 0 EBADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCN(C)C[C@]2(CCCC(=O)N2)C1 ZINC001272556113 816473137 /nfs/dbraw/zinc/47/31/37/816473137.db2.gz VVRVWEHCZJXTDO-RHSMWYFYSA-N 1 3 337.468 -0.955 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261918 816494195 /nfs/dbraw/zinc/49/41/95/816494195.db2.gz GVSKNWJKJMWWKV-OLZOCXBDSA-N 1 3 349.435 -0.124 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261918 816494199 /nfs/dbraw/zinc/49/41/99/816494199.db2.gz GVSKNWJKJMWWKV-OLZOCXBDSA-N 1 3 349.435 -0.124 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088080807 816619236 /nfs/dbraw/zinc/61/92/36/816619236.db2.gz OCZZDIFDPDGUAQ-ILXRZTDVSA-N 1 3 338.452 -0.639 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088080807 816619240 /nfs/dbraw/zinc/61/92/40/816619240.db2.gz OCZZDIFDPDGUAQ-ILXRZTDVSA-N 1 3 338.452 -0.639 20 0 EBADHO CCN(CCNCCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273752821 816750089 /nfs/dbraw/zinc/75/00/89/816750089.db2.gz LMORIXZPWTZOQN-CYBMUJFWSA-N 1 3 334.486 -0.732 20 0 EBADHO CCN(CCNCCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273752821 816750093 /nfs/dbraw/zinc/75/00/93/816750093.db2.gz LMORIXZPWTZOQN-CYBMUJFWSA-N 1 3 334.486 -0.732 20 0 EBADHO CCOC[C@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564422 817008543 /nfs/dbraw/zinc/00/85/43/817008543.db2.gz FITSYXLRZVRKTI-ZBFHGGJFSA-N 1 3 329.441 -0.751 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1)N(C)C ZINC001274572288 817017561 /nfs/dbraw/zinc/01/75/61/817017561.db2.gz KLZRBFPQQOKGKB-AWEZNQCLSA-N 1 3 338.456 -0.439 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001275054312 817146623 /nfs/dbraw/zinc/14/66/23/817146623.db2.gz NMFNTDSMDTUDAE-AWEZNQCLSA-N 1 3 348.513 -0.154 20 0 EBADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)NC(N)=O ZINC001276075996 817354011 /nfs/dbraw/zinc/35/40/11/817354011.db2.gz HKWUKDRKWNVBJJ-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO O=C(c1ccc(=O)[nH]n1)N1C[C@H]2CN(CC3CC[NH2+]CC3)C[C@@H](C1)O2 ZINC001276709467 817457735 /nfs/dbraw/zinc/45/77/35/817457735.db2.gz JYOZVHHOXHYZEU-OKILXGFUSA-N 1 3 347.419 -0.293 20 0 EBADHO O=C(Cn1cccnc1=O)N1C[C@H]2C[C@@H](C1)N2CC1CC[NH2+]CC1 ZINC001276709951 817458442 /nfs/dbraw/zinc/45/84/42/817458442.db2.gz QGYRRQFHQMSQRO-GASCZTMLSA-N 1 3 331.420 -0.472 20 0 EBADHO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(C[C@@H]4CCOC4)C[C@H]23)CC1 ZINC001277289959 817544576 /nfs/dbraw/zinc/54/45/76/817544576.db2.gz WPXLBEYSPCDAOC-AEGPPILISA-N 1 3 336.436 -0.080 20 0 EBADHO CN(CC(=O)NC(N)=O)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001277441689 817570886 /nfs/dbraw/zinc/57/08/86/817570886.db2.gz SGEJXVNTSHQEEU-UHFFFAOYSA-N 1 3 341.456 -0.164 20 0 EBADHO CN(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC001278048641 817686793 /nfs/dbraw/zinc/68/67/93/817686793.db2.gz QDKSLMLSIDCPDI-LSDHHAIUSA-N 1 3 333.436 -0.272 20 0 EBADHO CN(C)CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC001278048641 817686794 /nfs/dbraw/zinc/68/67/94/817686794.db2.gz QDKSLMLSIDCPDI-LSDHHAIUSA-N 1 3 333.436 -0.272 20 0 EBADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001282066482 818353060 /nfs/dbraw/zinc/35/30/60/818353060.db2.gz LGYHWAGXLSHHMX-WXRRBKDZSA-N 1 3 339.440 -0.637 20 0 EBADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001095784080 818689680 /nfs/dbraw/zinc/68/96/80/818689680.db2.gz AQJIEGKMYCIYDY-PXZCVYSUSA-N 1 3 335.448 -0.047 20 0 EBADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001095784080 818689682 /nfs/dbraw/zinc/68/96/82/818689682.db2.gz AQJIEGKMYCIYDY-PXZCVYSUSA-N 1 3 335.448 -0.047 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001283878878 819015169 /nfs/dbraw/zinc/01/51/69/819015169.db2.gz FYIWFXQEFPPAFT-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001283878875 819015501 /nfs/dbraw/zinc/01/55/01/819015501.db2.gz FYIWFXQEFPPAFT-GDBMZVCRSA-N 1 3 342.484 -0.132 20 0 EBADHO COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561987 819246448 /nfs/dbraw/zinc/24/64/48/819246448.db2.gz QWQDHWYTFOAGSB-MRXNPFEDSA-N 1 3 343.468 -0.625 20 0 EBADHO COC[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561987 819246455 /nfs/dbraw/zinc/24/64/55/819246455.db2.gz QWQDHWYTFOAGSB-MRXNPFEDSA-N 1 3 343.468 -0.625 20 0 EBADHO C[C@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001284854502 819373954 /nfs/dbraw/zinc/37/39/54/819373954.db2.gz HNGWCFJMEXCUFQ-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001100408151 820406940 /nfs/dbraw/zinc/40/69/40/820406940.db2.gz WQNCTKOAPMGCEO-UBHUBRDASA-N 1 3 331.482 -0.144 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100677095 820507374 /nfs/dbraw/zinc/50/73/74/820507374.db2.gz YKCJCQMUPUHVSX-UNXYVOJBSA-N 1 3 325.413 -0.850 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769401 820547198 /nfs/dbraw/zinc/54/71/98/820547198.db2.gz ILAYUQVRGOKFGO-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001100901850 820594752 /nfs/dbraw/zinc/59/47/52/820594752.db2.gz RCPBDQUVDFWUSH-UHFFFAOYSA-N 1 3 341.456 -0.342 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100901900 820594871 /nfs/dbraw/zinc/59/48/71/820594871.db2.gz UALKKKDHPROOSV-UHFFFAOYSA-N 1 3 325.457 -0.162 20 0 EBADHO COCCOC[C@H](O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101035840 820659949 /nfs/dbraw/zinc/65/99/49/820659949.db2.gz BAASLIBYCFIGAZ-UYSNPLJNSA-N 1 3 345.484 -0.165 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1)N(C)C ZINC001293601910 820795551 /nfs/dbraw/zinc/79/55/51/820795551.db2.gz WKLZBYZDRKPELH-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294758142 820990516 /nfs/dbraw/zinc/99/05/16/820990516.db2.gz MKNFOAMHUMLWJM-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511431 821134871 /nfs/dbraw/zinc/13/48/71/821134871.db2.gz XBDPEKXVNOXLCG-HUUCEWRRSA-N 1 3 342.484 -0.273 20 0 EBADHO CC[C@H](C(=O)N(C)C1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001299375951 821687192 /nfs/dbraw/zinc/68/71/92/821687192.db2.gz XNBSSUBXTOZCNF-CQSZACIVSA-N 1 3 328.457 -0.426 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001316823606 821868204 /nfs/dbraw/zinc/86/82/04/821868204.db2.gz GIUYMPHQUGRMKE-BFHYXJOUSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001316823606 821868212 /nfs/dbraw/zinc/86/82/12/821868212.db2.gz GIUYMPHQUGRMKE-BFHYXJOUSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(=O)NCCOCCN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001316992605 821965483 /nfs/dbraw/zinc/96/54/83/821965483.db2.gz RUNNBEATFWCFCM-HZPDHXFCSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001316992605 821965485 /nfs/dbraw/zinc/96/54/85/821965485.db2.gz RUNNBEATFWCFCM-HZPDHXFCSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001316992601 821965855 /nfs/dbraw/zinc/96/58/55/821965855.db2.gz RUNNBEATFWCFCM-CVEARBPZSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001316992601 821965860 /nfs/dbraw/zinc/96/58/60/821965860.db2.gz RUNNBEATFWCFCM-CVEARBPZSA-N 1 3 340.468 -0.329 20 0 EBADHO CCS(=O)(=O)NCCN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317240316 822044157 /nfs/dbraw/zinc/04/41/57/822044157.db2.gz FUDGBOVPSBPYFC-JHJVBQTASA-N 1 3 334.486 -0.640 20 0 EBADHO CCS(=O)(=O)NCCN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317240316 822044164 /nfs/dbraw/zinc/04/41/64/822044164.db2.gz FUDGBOVPSBPYFC-JHJVBQTASA-N 1 3 334.486 -0.640 20 0 EBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001106704856 822315030 /nfs/dbraw/zinc/31/50/30/822315030.db2.gz FZEMUBAHIQXEGC-GMTAPVOTSA-N 1 3 336.396 -0.780 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106910937 822352977 /nfs/dbraw/zinc/35/29/77/822352977.db2.gz WGAWXTVFJNPVGY-VXGBXAGGSA-N 1 3 327.429 -0.793 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCCOCC ZINC001128774845 828524607 /nfs/dbraw/zinc/52/46/07/828524607.db2.gz WNKLIKNUKGJXHG-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCCOCC ZINC001128774845 828524610 /nfs/dbraw/zinc/52/46/10/828524610.db2.gz WNKLIKNUKGJXHG-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001128773549 828524894 /nfs/dbraw/zinc/52/48/94/828524894.db2.gz BDKSAGRBZFSIGW-ZDUSSCGKSA-N 1 3 339.440 -0.445 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001128773549 828524901 /nfs/dbraw/zinc/52/49/01/828524901.db2.gz BDKSAGRBZFSIGW-ZDUSSCGKSA-N 1 3 339.440 -0.445 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001128778754 828525514 /nfs/dbraw/zinc/52/55/14/828525514.db2.gz LNWHZQRERWHZKI-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001128778754 828525521 /nfs/dbraw/zinc/52/55/21/828525521.db2.gz LNWHZQRERWHZKI-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001129327820 828597902 /nfs/dbraw/zinc/59/79/02/828597902.db2.gz JQNIOKLYKBFSHT-ZDUSSCGKSA-N 1 3 334.486 -0.781 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001129327820 828597905 /nfs/dbraw/zinc/59/79/05/828597905.db2.gz JQNIOKLYKBFSHT-ZDUSSCGKSA-N 1 3 334.486 -0.781 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001129327017 828598244 /nfs/dbraw/zinc/59/82/44/828598244.db2.gz DJLSINOCUYKXSM-CQSZACIVSA-N 1 3 348.513 -0.439 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001129327017 828598246 /nfs/dbraw/zinc/59/82/46/828598246.db2.gz DJLSINOCUYKXSM-CQSZACIVSA-N 1 3 348.513 -0.439 20 0 EBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356051 828603592 /nfs/dbraw/zinc/60/35/92/828603592.db2.gz AWCPCHPDEZOLQQ-KBPBESRZSA-N 1 3 331.457 -0.411 20 0 EBADHO CC[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364333 828605585 /nfs/dbraw/zinc/60/55/85/828605585.db2.gz SMNSFQHFFSFSKT-KBPBESRZSA-N 1 3 326.441 -0.401 20 0 EBADHO CC[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129364333 828605586 /nfs/dbraw/zinc/60/55/86/828605586.db2.gz SMNSFQHFFSFSKT-KBPBESRZSA-N 1 3 326.441 -0.401 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001129423537 828615632 /nfs/dbraw/zinc/61/56/32/828615632.db2.gz URPHCKPKBCTBJB-NEPJUHHUSA-N 1 3 327.429 -0.462 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001129423537 828615636 /nfs/dbraw/zinc/61/56/36/828615636.db2.gz URPHCKPKBCTBJB-NEPJUHHUSA-N 1 3 327.429 -0.462 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129436767 828618376 /nfs/dbraw/zinc/61/83/76/828618376.db2.gz SHHRMGHKSSXLJC-ZDUSSCGKSA-N 1 3 334.486 -0.638 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129435811 828619346 /nfs/dbraw/zinc/61/93/46/828619346.db2.gz JHUOHUKJZSFBQA-PWSUYJOCSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444465 828620611 /nfs/dbraw/zinc/62/06/11/828620611.db2.gz SXIPEGAHMJSECH-CQSZACIVSA-N 1 3 341.456 -0.486 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444848 828620637 /nfs/dbraw/zinc/62/06/37/828620637.db2.gz ZBHFSYMACYYTCF-OCCSQVGLSA-N 1 3 346.497 -0.686 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001129856571 828682339 /nfs/dbraw/zinc/68/23/39/828682339.db2.gz UMCMTDQDLWSQRX-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001129856571 828682346 /nfs/dbraw/zinc/68/23/46/828682346.db2.gz UMCMTDQDLWSQRX-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO COCCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129846080 828680654 /nfs/dbraw/zinc/68/06/54/828680654.db2.gz WVUNLUYWRORQNJ-XHSDSOJGSA-N 1 3 348.451 -0.392 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001129841945 828680709 /nfs/dbraw/zinc/68/07/09/828680709.db2.gz RERPXECAIQQZPU-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001129841945 828680710 /nfs/dbraw/zinc/68/07/10/828680710.db2.gz RERPXECAIQQZPU-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO CN(CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129894913 828689804 /nfs/dbraw/zinc/68/98/04/828689804.db2.gz XUQYTLDRNATBON-CABCVRRESA-N 1 3 336.440 -0.514 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856115 828682520 /nfs/dbraw/zinc/68/25/20/828682520.db2.gz NXOBPBQVKKPPNY-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856115 828682524 /nfs/dbraw/zinc/68/25/24/828682524.db2.gz NXOBPBQVKKPPNY-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001179585407 832990852 /nfs/dbraw/zinc/99/08/52/832990852.db2.gz GWDYJTPWZXFYHP-ZDUSSCGKSA-N 1 3 341.456 -0.211 20 0 EBADHO COCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086289 828730693 /nfs/dbraw/zinc/73/06/93/828730693.db2.gz UIUDUFXSAREPIW-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO COCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086289 828730696 /nfs/dbraw/zinc/73/06/96/828730696.db2.gz UIUDUFXSAREPIW-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001130427346 828832484 /nfs/dbraw/zinc/83/24/84/828832484.db2.gz MITQZVMAUFQSBW-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001130427346 828832492 /nfs/dbraw/zinc/83/24/92/828832492.db2.gz MITQZVMAUFQSBW-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179743956 833006455 /nfs/dbraw/zinc/00/64/55/833006455.db2.gz AGOCLKABYFDSDO-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179982833 833031628 /nfs/dbraw/zinc/03/16/28/833031628.db2.gz DUMCSTLIEKCEJQ-AVGNSLFASA-N 1 3 341.456 -0.249 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179982698 833032106 /nfs/dbraw/zinc/03/21/06/833032106.db2.gz DAROVZLBYIRXPV-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21)N(C)C ZINC001114853540 826356315 /nfs/dbraw/zinc/35/63/15/826356315.db2.gz DZQCTPCCMUZVGB-XUWVNRHRSA-N 1 3 340.468 -0.474 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21)N(C)C ZINC001114853540 826356319 /nfs/dbraw/zinc/35/63/19/826356319.db2.gz DZQCTPCCMUZVGB-XUWVNRHRSA-N 1 3 340.468 -0.474 20 0 EBADHO C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001114925778 826373568 /nfs/dbraw/zinc/37/35/68/826373568.db2.gz ZNEMRBDYBHEXPW-QLPKVWCKSA-N 1 3 325.453 -0.226 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226885 833060069 /nfs/dbraw/zinc/06/00/69/833060069.db2.gz RQZIIKTVDMAMLY-AVGNSLFASA-N 1 3 341.456 -0.250 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115297535 826500224 /nfs/dbraw/zinc/50/02/24/826500224.db2.gz GJWUQHPMCIDVFO-QLPKVWCKSA-N 1 3 349.479 -0.066 20 0 EBADHO COC(C)(C)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117858343 826812483 /nfs/dbraw/zinc/81/24/83/826812483.db2.gz JTJVFEGGUOALFL-UHFFFAOYSA-N 1 3 330.473 -0.178 20 0 EBADHO COCCOC[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119618190 827125677 /nfs/dbraw/zinc/12/56/77/827125677.db2.gz BGFVJWCBORWCBF-KFWWJZLASA-N 1 3 343.424 -0.733 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001181653288 833170946 /nfs/dbraw/zinc/17/09/46/833170946.db2.gz WPQCIINTONAIAB-ILXRZTDVSA-N 1 3 338.452 -0.746 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001124866465 827969255 /nfs/dbraw/zinc/96/92/55/827969255.db2.gz DFLFYRFSPWEEAU-CMPLNLGQSA-N 1 3 325.413 -0.837 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240467 833284648 /nfs/dbraw/zinc/28/46/48/833284648.db2.gz GXABOMGBTVPTGH-NWDGAFQWSA-N 1 3 339.440 -0.495 20 0 EBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)C1CC1 ZINC001183267250 833285230 /nfs/dbraw/zinc/28/52/30/833285230.db2.gz KOHGLRHTKRFDMJ-ZIAGYGMSSA-N 1 3 346.497 -0.592 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001127081780 828248282 /nfs/dbraw/zinc/24/82/82/828248282.db2.gz BIWRMSOBIIMYHA-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001127081780 828248285 /nfs/dbraw/zinc/24/82/85/828248285.db2.gz BIWRMSOBIIMYHA-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)S(C)(=O)=O ZINC001127257464 828269304 /nfs/dbraw/zinc/26/93/04/828269304.db2.gz YLBLPEUMVZZSRK-KGLIPLIRSA-N 1 3 346.497 -0.542 20 0 EBADHO CN(CCNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)S(C)(=O)=O ZINC001127257464 828269308 /nfs/dbraw/zinc/26/93/08/828269308.db2.gz YLBLPEUMVZZSRK-KGLIPLIRSA-N 1 3 346.497 -0.542 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473629 828297226 /nfs/dbraw/zinc/29/72/26/828297226.db2.gz AWGZPHVLMDKBOE-ZDUSSCGKSA-N 1 3 339.440 -0.730 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475804 828298090 /nfs/dbraw/zinc/29/80/90/828298090.db2.gz ZSSATYXMQJFMLA-AWEZNQCLSA-N 1 3 326.441 -0.813 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571154 828304066 /nfs/dbraw/zinc/30/40/66/828304066.db2.gz MNPQKRRHYBUQIU-BNOWGMLFSA-N 1 3 326.441 -0.687 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001127706166 828316926 /nfs/dbraw/zinc/31/69/26/828316926.db2.gz JJAKKDQSILUNCJ-GRYCIOLGSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001127706166 828316935 /nfs/dbraw/zinc/31/69/35/828316935.db2.gz JJAKKDQSILUNCJ-GRYCIOLGSA-N 1 3 327.429 -0.733 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779245 828328744 /nfs/dbraw/zinc/32/87/44/828328744.db2.gz JXTVFYBMPDKGPE-UONOGXRCSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779245 828328752 /nfs/dbraw/zinc/32/87/52/828328752.db2.gz JXTVFYBMPDKGPE-UONOGXRCSA-N 1 3 340.468 -0.140 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC001127778853 828328934 /nfs/dbraw/zinc/32/89/34/828328934.db2.gz GYFOAGRUXVURMZ-HUUCEWRRSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC001127778853 828328943 /nfs/dbraw/zinc/32/89/43/828328943.db2.gz GYFOAGRUXVURMZ-HUUCEWRRSA-N 1 3 338.452 -0.386 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130617714 828901570 /nfs/dbraw/zinc/90/15/70/828901570.db2.gz HSANSFDRFQXYGY-UHFFFAOYSA-N 1 3 341.456 -0.199 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130617714 828901576 /nfs/dbraw/zinc/90/15/76/828901576.db2.gz HSANSFDRFQXYGY-UHFFFAOYSA-N 1 3 341.456 -0.199 20 0 EBADHO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)CC[NH+](C)C)n2)N(CCO)C1 ZINC001130873679 828985105 /nfs/dbraw/zinc/98/51/05/828985105.db2.gz YGTJWNFMSXAHCE-KBPBESRZSA-N 1 3 339.440 -0.145 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001185089772 833346617 /nfs/dbraw/zinc/34/66/17/833346617.db2.gz CUHCORFHKWZWAX-QWHCGFSZSA-N 1 3 339.440 -0.506 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001185089772 833346618 /nfs/dbraw/zinc/34/66/18/833346618.db2.gz CUHCORFHKWZWAX-QWHCGFSZSA-N 1 3 339.440 -0.506 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001185385187 833357095 /nfs/dbraw/zinc/35/70/95/833357095.db2.gz LIFMKRQBSWACSR-ZYHUDNBSSA-N 1 3 325.413 -0.898 20 0 EBADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)n1 ZINC001131520110 829152596 /nfs/dbraw/zinc/15/25/96/829152596.db2.gz UREGTFTWZPNBCW-CKDBGZEDSA-N 1 3 348.451 -0.536 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185926669 833378338 /nfs/dbraw/zinc/37/83/38/833378338.db2.gz ZRAKBVQLZHSCSA-GFCCVEGCSA-N 1 3 343.453 -0.576 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083277 833388555 /nfs/dbraw/zinc/38/85/55/833388555.db2.gz YFNFMPJAYAARCF-CYBMUJFWSA-N 1 3 339.440 -0.636 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001186487860 833403509 /nfs/dbraw/zinc/40/35/09/833403509.db2.gz MSUVJBKTYXIQLV-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001186497001 833403555 /nfs/dbraw/zinc/40/35/55/833403555.db2.gz WDOGCDKLURNKSG-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001132995537 829569208 /nfs/dbraw/zinc/56/92/08/829569208.db2.gz XABLSFIZVGLALY-UONOGXRCSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CCC[NH+](C)C)C[C@H](C)O1 ZINC001133051650 829577651 /nfs/dbraw/zinc/57/76/51/829577651.db2.gz JWAIMYQBBBNAEG-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001133051843 829578893 /nfs/dbraw/zinc/57/88/93/829578893.db2.gz RJGOBZLGTBMTKG-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178253 829598448 /nfs/dbraw/zinc/59/84/48/829598448.db2.gz NLJHVHXGWUNVEL-STQMWFEESA-N 1 3 341.456 -0.403 20 0 EBADHO COc1ccc(CNC(=O)CNCCNC(=O)CC[NH+](C)C)cc1 ZINC001133290992 829616293 /nfs/dbraw/zinc/61/62/93/829616293.db2.gz GXFZUVXHFJXDSS-UHFFFAOYSA-N 1 3 336.436 -0.031 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001133297127 829617574 /nfs/dbraw/zinc/61/75/74/829617574.db2.gz HWNOOFYGMWUKHK-AWEZNQCLSA-N 1 3 326.441 -0.719 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347288 829625115 /nfs/dbraw/zinc/62/51/15/829625115.db2.gz VTVGNZYGMKDYAS-CHWSQXEVSA-N 1 3 341.456 -0.404 20 0 EBADHO CC[C@@H](C(=O)NCCNCCNS(=O)(=O)CC)[NH+](CC)CC ZINC001133690198 829662459 /nfs/dbraw/zinc/66/24/59/829662459.db2.gz JCZIGPKMYNSLDN-ZDUSSCGKSA-N 1 3 336.502 -0.248 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001133823587 829680145 /nfs/dbraw/zinc/68/01/45/829680145.db2.gz JWBGOAIKTZKOPJ-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001133823587 829680149 /nfs/dbraw/zinc/68/01/49/829680149.db2.gz JWBGOAIKTZKOPJ-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001133845461 829684419 /nfs/dbraw/zinc/68/44/19/829684419.db2.gz GLUYBBIEVUIPSA-ZDUSSCGKSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001133845717 829684461 /nfs/dbraw/zinc/68/44/61/829684461.db2.gz MGYVIPXZMFJHBP-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001133845717 829684465 /nfs/dbraw/zinc/68/44/65/829684465.db2.gz MGYVIPXZMFJHBP-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850149 829687187 /nfs/dbraw/zinc/68/71/87/829687187.db2.gz KEDGVKJFWDGSLN-OAHLLOKOSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850149 829687191 /nfs/dbraw/zinc/68/71/91/829687191.db2.gz KEDGVKJFWDGSLN-OAHLLOKOSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867203 829689720 /nfs/dbraw/zinc/68/97/20/829689720.db2.gz RODZIQMVVXQAAW-GJZGRUSLSA-N 1 3 342.484 -0.179 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867203 829689723 /nfs/dbraw/zinc/68/97/23/829689723.db2.gz RODZIQMVVXQAAW-GJZGRUSLSA-N 1 3 342.484 -0.179 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868136 829691199 /nfs/dbraw/zinc/69/11/99/829691199.db2.gz ZPTPWQWLAAECPS-TZMCWYRMSA-N 1 3 326.441 -0.815 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868136 829691204 /nfs/dbraw/zinc/69/12/04/829691204.db2.gz ZPTPWQWLAAECPS-TZMCWYRMSA-N 1 3 326.441 -0.815 20 0 EBADHO CN(CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O)CC(C)(C)C ZINC001133917833 829699050 /nfs/dbraw/zinc/69/90/50/829699050.db2.gz HBTPFVADHQDINH-UHFFFAOYSA-N 1 3 326.441 -0.181 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001133966198 829708126 /nfs/dbraw/zinc/70/81/26/829708126.db2.gz XFYWMQMGQNCOEE-OLZOCXBDSA-N 1 3 334.486 -0.686 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020836 829713128 /nfs/dbraw/zinc/71/31/28/829713128.db2.gz IGRZGNMWXMQKIH-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](COCC(=O)NCCNCC(=O)N(C)C1CC1)[NH+]1CCCC1 ZINC001134021055 829713137 /nfs/dbraw/zinc/71/31/37/829713137.db2.gz PHCSOZPGSYAYGH-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780697 829845411 /nfs/dbraw/zinc/84/54/11/829845411.db2.gz RZLOSRHJKLDGRE-UHFFFAOYSA-N 1 3 334.486 -0.637 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959280 830051917 /nfs/dbraw/zinc/05/19/17/830051917.db2.gz NMBDIYPVPRETCA-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)N2CCCCC2)CC1 ZINC001135959371 830052323 /nfs/dbraw/zinc/05/23/23/830052323.db2.gz PPFFPBJGHYHBEW-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284532 837421935 /nfs/dbraw/zinc/42/19/35/837421935.db2.gz MHELSYPUKJANAL-QWHCGFSZSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CCN2CCN(C)CC2)O1 ZINC001143237882 830146670 /nfs/dbraw/zinc/14/66/70/830146670.db2.gz VAQDJQDNEGVWCN-FMKPAKJESA-N 1 3 328.457 -0.535 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)N2CCOCC2)CC1 ZINC001146383910 830195662 /nfs/dbraw/zinc/19/56/62/830195662.db2.gz LXOFBWFLVSEDEW-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001146710287 830221331 /nfs/dbraw/zinc/22/13/31/830221331.db2.gz JTPGHPKJSGNJQD-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001146710287 830221334 /nfs/dbraw/zinc/22/13/34/830221334.db2.gz JTPGHPKJSGNJQD-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825065 830416755 /nfs/dbraw/zinc/41/67/55/830416755.db2.gz NPRXBTZCVXFPAK-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824686 830416828 /nfs/dbraw/zinc/41/68/28/830416828.db2.gz MACPYJBYBYIRHC-RYUDHWBXSA-N 1 3 327.429 -0.732 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCc1ccccc1 ZINC001147842111 830418691 /nfs/dbraw/zinc/41/86/91/830418691.db2.gz NGEPSKGHCYXLQB-UHFFFAOYSA-N 1 3 336.436 -0.413 20 0 EBADHO CN(CC(F)(F)F)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893017 830427333 /nfs/dbraw/zinc/42/73/33/830427333.db2.gz NZQDZLHGIWZSEL-UHFFFAOYSA-N 1 3 342.362 -0.709 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(CCOCCO)C3)CC1 ZINC001148161258 830450739 /nfs/dbraw/zinc/45/07/39/830450739.db2.gz RAOJHHOWMJUJNL-UHFFFAOYSA-N 1 3 325.453 -0.129 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360507 830475828 /nfs/dbraw/zinc/47/58/28/830475828.db2.gz WIGGKFGSFLEHOU-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001148643220 830523718 /nfs/dbraw/zinc/52/37/18/830523718.db2.gz VGSPIVPDPJRYCN-ZDUSSCGKSA-N 1 3 334.486 -0.685 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 ZINC001149937502 830786303 /nfs/dbraw/zinc/78/63/03/830786303.db2.gz TXEIZEGMQCEXLK-GJZGRUSLSA-N 1 3 345.484 -0.069 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 ZINC001149937502 830786306 /nfs/dbraw/zinc/78/63/06/830786306.db2.gz TXEIZEGMQCEXLK-GJZGRUSLSA-N 1 3 345.484 -0.069 20 0 EBADHO CC(C)CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074082 831022270 /nfs/dbraw/zinc/02/22/70/831022270.db2.gz VARAWUTXLRRSQO-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CC(C)CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074082 831022279 /nfs/dbraw/zinc/02/22/79/831022279.db2.gz VARAWUTXLRRSQO-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001152145823 831133968 /nfs/dbraw/zinc/13/39/68/831133968.db2.gz DZECDCDUCLCCKC-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152147405 831134061 /nfs/dbraw/zinc/13/40/61/831134061.db2.gz NAGOINNJACSEBD-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001152237287 831145041 /nfs/dbraw/zinc/14/50/41/831145041.db2.gz LQBOLAFJABQWOZ-OAHLLOKOSA-N 1 3 340.468 -0.279 20 0 EBADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001152245645 831145118 /nfs/dbraw/zinc/14/51/18/831145118.db2.gz JSKLKKOZRSRHHZ-UHFFFAOYSA-N 1 3 347.419 -0.381 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446036 831164488 /nfs/dbraw/zinc/16/44/88/831164488.db2.gz ROTSFXWVTJRUMS-CYBMUJFWSA-N 1 3 343.472 -0.097 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152458178 831165594 /nfs/dbraw/zinc/16/55/94/831165594.db2.gz MIYYIZXKLSNNEN-LSDHHAIUSA-N 1 3 340.468 -0.450 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001152458599 831165830 /nfs/dbraw/zinc/16/58/30/831165830.db2.gz RLXAZUNYNZUTLA-HUUCEWRRSA-N 1 3 331.457 -0.410 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001152464325 831165874 /nfs/dbraw/zinc/16/58/74/831165874.db2.gz KVMMIJABSRGNFR-CYBMUJFWSA-N 1 3 334.486 -0.638 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001152479754 831166901 /nfs/dbraw/zinc/16/69/01/831166901.db2.gz JSHFBSZLSUDBMT-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO CO[C@@H]1CCN[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386868 831562942 /nfs/dbraw/zinc/56/29/42/831562942.db2.gz RBLSPXQBEDXBJQ-ILXRZTDVSA-N 1 3 340.468 -0.010 20 0 EBADHO N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C1CCOCC1 ZINC001157379901 831563664 /nfs/dbraw/zinc/56/36/64/831563664.db2.gz QVMIQUBYYIXWKE-GJZGRUSLSA-N 1 3 340.468 -0.024 20 0 EBADHO O=C(c1csc2c1CCNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120472 831630700 /nfs/dbraw/zinc/63/07/00/831630700.db2.gz PRCRYAYTRZCQHS-QGZVFWFLSA-N 1 3 346.456 -0.055 20 0 EBADHO N[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001158180068 831637206 /nfs/dbraw/zinc/63/72/06/831637206.db2.gz SJJBASSDJJXZSD-KFWWJZLASA-N 1 3 339.436 -0.306 20 0 EBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001158416572 831653140 /nfs/dbraw/zinc/65/31/40/831653140.db2.gz XHILECYYHBTAQB-YWPYICTPSA-N 1 3 345.465 -0.424 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579251 831667561 /nfs/dbraw/zinc/66/75/61/831667561.db2.gz QPIOIFMHYKAAMI-RNJOBUHISA-N 1 3 326.416 -0.140 20 0 EBADHO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH2+]CC45CNC5)C[C@H]3O2)n1 ZINC001158693357 831679003 /nfs/dbraw/zinc/67/90/03/831679003.db2.gz MMPSSQXBDLUECS-XDQVBPFNSA-N 1 3 347.419 -0.134 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694174 831679108 /nfs/dbraw/zinc/67/91/08/831679108.db2.gz TUMQDFLDKGPHSW-AYDFFVQHSA-N 1 3 338.452 -0.319 20 0 EBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001158790013 831686715 /nfs/dbraw/zinc/68/67/15/831686715.db2.gz HYUKJTNDUFZOCU-MNOVXSKESA-N 1 3 342.469 -0.611 20 0 EBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2 ZINC001158891098 831693730 /nfs/dbraw/zinc/69/37/30/831693730.db2.gz SSZDXZSPRPJQSE-QGZVFWFLSA-N 1 3 337.468 -0.730 20 0 EBADHO Cn1cncc1C[C@H](N)C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159133994 831711482 /nfs/dbraw/zinc/71/14/82/831711482.db2.gz LVZOAUREPUBDOE-HIFRSBDPSA-N 1 3 345.451 -0.293 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159847260 831787641 /nfs/dbraw/zinc/78/76/41/831787641.db2.gz YDEXXOYOFCYKEX-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854889 831788715 /nfs/dbraw/zinc/78/87/15/831788715.db2.gz VXYOPJBSLRPYIC-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001159862786 831789236 /nfs/dbraw/zinc/78/92/36/831789236.db2.gz CHZCJXTWONFGJC-RYUDHWBXSA-N 1 3 328.482 -0.278 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932841 831799371 /nfs/dbraw/zinc/79/93/71/831799371.db2.gz WFERAXMZWKLOBD-JSGCOSHPSA-N 1 3 331.482 -0.143 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932429 831799424 /nfs/dbraw/zinc/79/94/24/831799424.db2.gz QXQSEZQBTRBHMC-HUUCEWRRSA-N 1 3 331.457 -0.554 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932424 831799638 /nfs/dbraw/zinc/79/96/38/831799638.db2.gz QTHLZUXQZIRAKA-ZDUSSCGKSA-N 1 3 334.486 -0.638 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)CN(C)C2CCC2)CCO1 ZINC001160003261 831804538 /nfs/dbraw/zinc/80/45/38/831804538.db2.gz GBUHAXUUQXOFIH-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192719 831823826 /nfs/dbraw/zinc/82/38/26/831823826.db2.gz FJKQSMGOPWHUDC-ZDUSSCGKSA-N 1 3 346.439 -0.289 20 0 EBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CCC[NH3+])[C@@H]2C1 ZINC001160294577 831834080 /nfs/dbraw/zinc/83/40/80/831834080.db2.gz DAPLHDSDNZLEKA-IGQOVBAYSA-N 1 3 326.441 -0.417 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001160427356 831849005 /nfs/dbraw/zinc/84/90/05/831849005.db2.gz QOQQWRQNKABNGM-HNNXBMFYSA-N 1 3 328.457 -0.473 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484436 831854698 /nfs/dbraw/zinc/85/46/98/831854698.db2.gz ZWXLVMMBLVZRJW-AWEZNQCLSA-N 1 3 325.457 -0.791 20 0 EBADHO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160494946 831857277 /nfs/dbraw/zinc/85/72/77/831857277.db2.gz VWICYHBPWUYLGV-NGZCFLSTSA-N 1 3 333.410 -0.941 20 0 EBADHO N[C@@H](C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506216 831858029 /nfs/dbraw/zinc/85/80/29/831858029.db2.gz JKXFRQCFMHJOSL-LSDHHAIUSA-N 1 3 338.452 -0.447 20 0 EBADHO N[C@@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506214 831858211 /nfs/dbraw/zinc/85/82/11/831858211.db2.gz JKXFRQCFMHJOSL-HUUCEWRRSA-N 1 3 338.452 -0.447 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160637457 831873227 /nfs/dbraw/zinc/87/32/27/831873227.db2.gz QAAKKVJWTBYVCO-AWEZNQCLSA-N 1 3 325.457 -0.875 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791148 831887732 /nfs/dbraw/zinc/88/77/32/831887732.db2.gz XOZAQDVRWSULQL-KBPBESRZSA-N 1 3 326.441 -0.448 20 0 EBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160823517 831891920 /nfs/dbraw/zinc/89/19/20/831891920.db2.gz HSYNNSNEYQNPTB-SUYBPPKGSA-N 1 3 347.419 -0.402 20 0 EBADHO COc1cccnc1N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160845965 831894511 /nfs/dbraw/zinc/89/45/11/831894511.db2.gz BHCOZAAXNDSFBJ-CYBMUJFWSA-N 1 3 331.420 -0.452 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)N(C)C ZINC001160890136 831903792 /nfs/dbraw/zinc/90/37/92/831903792.db2.gz WBNVDSSRMQVQIH-CYBMUJFWSA-N 1 3 336.502 -0.296 20 0 EBADHO O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160936047 831908225 /nfs/dbraw/zinc/90/82/25/831908225.db2.gz FXBFUXCMAPRPPI-AWEZNQCLSA-N 1 3 329.404 -0.825 20 0 EBADHO CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1CN(C)C1 ZINC001161137681 831929912 /nfs/dbraw/zinc/92/99/12/831929912.db2.gz GEAUCHFXXGCCMZ-GJZGRUSLSA-N 1 3 339.484 -0.404 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001161226598 831938746 /nfs/dbraw/zinc/93/87/46/831938746.db2.gz KNTPTKDWICUENG-NSHDSACASA-N 1 3 329.445 -0.343 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001161226681 831938887 /nfs/dbraw/zinc/93/88/87/831938887.db2.gz MONTWONVHXFPAS-CQSZACIVSA-N 1 3 333.473 -0.164 20 0 EBADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001161306396 831946183 /nfs/dbraw/zinc/94/61/83/831946183.db2.gz KFPXTDUFXKCDSI-CYBMUJFWSA-N 1 3 334.424 -0.186 20 0 EBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161374174 831951352 /nfs/dbraw/zinc/95/13/52/831951352.db2.gz UGAOHDCCFRBFPT-WFASDCNBSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161374174 831951355 /nfs/dbraw/zinc/95/13/55/831951355.db2.gz UGAOHDCCFRBFPT-WFASDCNBSA-N 1 3 325.409 -0.349 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378327 831951838 /nfs/dbraw/zinc/95/18/38/831951838.db2.gz MGPHQMBDQGLHAR-CABCVRRESA-N 1 3 339.484 -0.500 20 0 EBADHO O=C(N1CC[C@@H](N2CCOCC2)[C@@H](F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161601690 831976901 /nfs/dbraw/zinc/97/69/01/831976901.db2.gz KAPLNTKNPNWIGU-JYYAWHABSA-N 1 3 340.443 -0.543 20 0 EBADHO O=C(C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)N1CCC1 ZINC001162872039 832067356 /nfs/dbraw/zinc/06/73/56/832067356.db2.gz DYLBXJQMHNODBC-UUCFBXCCSA-N 1 3 336.436 -0.822 20 0 EBADHO O=C(NCCC[NH2+]CCn1cccn1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162857599 832067603 /nfs/dbraw/zinc/06/76/03/832067603.db2.gz QGHROGQWFFDNKE-ISXOHVOVSA-N 1 3 333.436 -0.158 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872618 832070088 /nfs/dbraw/zinc/07/00/88/832070088.db2.gz YKKQFDFNPVLSGG-PEUXKQIOSA-N 1 3 338.452 -0.578 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001163821181 832142580 /nfs/dbraw/zinc/14/25/80/832142580.db2.gz LLUPOLNLFYNYIK-NSHDSACASA-N 1 3 325.413 -0.848 20 0 EBADHO CN(c1ncccc1C(=O)NCCC[NH+](C)C)S(=O)(=O)CCN ZINC001164292036 832181472 /nfs/dbraw/zinc/18/14/72/832181472.db2.gz AGUPKTVBFXCMER-UHFFFAOYSA-N 1 3 343.453 -0.512 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C ZINC001166011152 832245699 /nfs/dbraw/zinc/24/56/99/832245699.db2.gz YJFSXIYNRQQUSW-GDBMZVCRSA-N 1 3 342.484 -0.179 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C ZINC001166004274 832245756 /nfs/dbraw/zinc/24/57/56/832245756.db2.gz IKCOKSBPKXYRRX-GDBMZVCRSA-N 1 3 342.484 -0.036 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626091 832274647 /nfs/dbraw/zinc/27/46/47/832274647.db2.gz ALOUWFRXRGNICE-AWEZNQCLSA-N 1 3 348.513 -0.104 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001166667437 832278104 /nfs/dbraw/zinc/27/81/04/832278104.db2.gz BFHZEFJFPLJPKV-ZDUSSCGKSA-N 1 3 334.424 -0.147 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667805 832278223 /nfs/dbraw/zinc/27/82/23/832278223.db2.gz IUQLVFPRSONPTG-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166687070 832280150 /nfs/dbraw/zinc/28/01/50/832280150.db2.gz IITATJRPCGXYCD-OAHLLOKOSA-N 1 3 345.419 -0.510 20 0 EBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001166736029 832285510 /nfs/dbraw/zinc/28/55/10/832285510.db2.gz AJQWZVNPHPKJJG-UHFFFAOYSA-N 1 3 334.486 -0.637 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166736438 832286040 /nfs/dbraw/zinc/28/60/40/832286040.db2.gz LGWSQHPYHCDRPL-UHFFFAOYSA-N 1 3 348.513 -0.247 20 0 EBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001166744531 832287011 /nfs/dbraw/zinc/28/70/11/832287011.db2.gz YQHFZIFFRPFAGO-UHFFFAOYSA-N 1 3 338.452 -0.037 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166865180 832295147 /nfs/dbraw/zinc/29/51/47/832295147.db2.gz CITFMOGFQKVYQI-NEPJUHHUSA-N 1 3 329.445 -0.343 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001353131225 832405899 /nfs/dbraw/zinc/40/58/99/832405899.db2.gz ICCZIDMORZWIHF-QLFBSQMISA-N 1 3 337.468 -0.861 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC001353251076 832418017 /nfs/dbraw/zinc/41/80/17/832418017.db2.gz CNGRKORQLWLMKW-SUMWQHHRSA-N 1 3 338.452 -0.719 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001168763503 832433987 /nfs/dbraw/zinc/43/39/87/832433987.db2.gz OTDKAKYKNIHEQG-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CCCNS(=O)(=O)CC ZINC001168754907 832434324 /nfs/dbraw/zinc/43/43/24/832434324.db2.gz DSAPMEGWXTUHLK-UHFFFAOYSA-N 1 3 336.502 -0.247 20 0 EBADHO Cc1nc(CC[NH3+])nn1-c1ccc(C(=O)NC2CCN(C)CC2)nn1 ZINC001168986483 832442171 /nfs/dbraw/zinc/44/21/71/832442171.db2.gz WPZICADJJCVSAR-UHFFFAOYSA-N 1 3 344.423 -0.309 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001171215417 832551435 /nfs/dbraw/zinc/55/14/35/832551435.db2.gz CGDPTFXQILBWJC-LLVKDONJSA-N 1 3 340.453 -0.086 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001171215417 832551438 /nfs/dbraw/zinc/55/14/38/832551438.db2.gz CGDPTFXQILBWJC-LLVKDONJSA-N 1 3 340.453 -0.086 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001171215418 832551682 /nfs/dbraw/zinc/55/16/82/832551682.db2.gz CGDPTFXQILBWJC-NSHDSACASA-N 1 3 340.453 -0.086 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001171215418 832551689 /nfs/dbraw/zinc/55/16/89/832551689.db2.gz CGDPTFXQILBWJC-NSHDSACASA-N 1 3 340.453 -0.086 20 0 EBADHO C[C@@H](NCCCNC(=O)C12CC[NH+](CC1)C2)C(=O)Nc1ncccn1 ZINC001171311200 832555612 /nfs/dbraw/zinc/55/56/12/832555612.db2.gz OYLPOJJEGYGXFD-CYBMUJFWSA-N 1 3 346.435 -0.005 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CCCNS(=O)(=O)CC ZINC001171763246 832574853 /nfs/dbraw/zinc/57/48/53/832574853.db2.gz WIRBCYMHTSTSHE-UHFFFAOYSA-N 1 3 336.502 -0.247 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001171770382 832575728 /nfs/dbraw/zinc/57/57/28/832575728.db2.gz PHSQAJOJBBXUEL-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001175317244 832621828 /nfs/dbraw/zinc/62/18/28/832621828.db2.gz NCJMBYXDJPZHGM-RYUDHWBXSA-N 1 3 329.445 -0.214 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001356438401 832628848 /nfs/dbraw/zinc/62/88/48/832628848.db2.gz OZRBFIVGHNGXLS-HNNXBMFYSA-N 1 3 339.484 -0.673 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001356449377 832630508 /nfs/dbraw/zinc/63/05/08/832630508.db2.gz QGPALXWSOYRWIW-RBSFLKMASA-N 1 3 339.484 -0.770 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001175769375 832644568 /nfs/dbraw/zinc/64/45/68/832644568.db2.gz RMMFTLXYGYYKCV-LBPRGKRZSA-N 1 3 329.445 -0.212 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001176161033 832660548 /nfs/dbraw/zinc/66/05/48/832660548.db2.gz MAXACIURVORTHN-OLZOCXBDSA-N 1 3 339.444 -0.665 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001176972250 832722402 /nfs/dbraw/zinc/72/24/02/832722402.db2.gz SNDQDDRVPQAOLG-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001176971805 832722476 /nfs/dbraw/zinc/72/24/76/832722476.db2.gz IORQPYJLVNPQCS-AWEZNQCLSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CCCN1C ZINC001178361411 832852972 /nfs/dbraw/zinc/85/29/72/832852972.db2.gz YORSNUINKCFATD-AVGNSLFASA-N 1 3 332.470 -0.791 20 0 EBADHO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356180 832853146 /nfs/dbraw/zinc/85/31/46/832853146.db2.gz JBZUXIJZFLQESL-KKUMJFAQSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178689801 832900959 /nfs/dbraw/zinc/90/09/59/832900959.db2.gz ZUWLRPIYQUITOF-AVGNSLFASA-N 1 3 339.440 -0.367 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178689801 832900964 /nfs/dbraw/zinc/90/09/64/832900964.db2.gz ZUWLRPIYQUITOF-AVGNSLFASA-N 1 3 339.440 -0.367 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179430666 832977528 /nfs/dbraw/zinc/97/75/28/832977528.db2.gz CIHTUQBZCOGNTK-STQMWFEESA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC2CCOCC2)CCN1C(=O)CC[NH+](C)C ZINC001179472189 832982448 /nfs/dbraw/zinc/98/24/48/832982448.db2.gz IBDQBPZWJISDBZ-ZFWWWQNUSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C)N(C)C ZINC001179553913 832988671 /nfs/dbraw/zinc/98/86/71/832988671.db2.gz FOHKEHNGSIOAOT-VGWMRTNUSA-N 1 3 345.484 -0.071 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001187106072 833901222 /nfs/dbraw/zinc/90/12/22/833901222.db2.gz AEWZXRIBNTZHOW-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232204 833911838 /nfs/dbraw/zinc/91/18/38/833911838.db2.gz XDDKSCQPUMJELP-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001187241439 833912280 /nfs/dbraw/zinc/91/22/80/833912280.db2.gz ZXSONVZGBIMNGP-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843256 833973372 /nfs/dbraw/zinc/97/33/72/833973372.db2.gz ZRGFUAULNNLQRE-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001187945388 833987764 /nfs/dbraw/zinc/98/77/64/833987764.db2.gz XJBDWNCGOLTGPF-YESZJQIVSA-N 1 3 337.464 -0.130 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189477995 834160953 /nfs/dbraw/zinc/16/09/53/834160953.db2.gz MNXGJQAIMWETRX-BFHYXJOUSA-N 1 3 336.436 -0.334 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189477995 834160957 /nfs/dbraw/zinc/16/09/57/834160957.db2.gz MNXGJQAIMWETRX-BFHYXJOUSA-N 1 3 336.436 -0.334 20 0 EBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192048143 834600101 /nfs/dbraw/zinc/60/01/01/834600101.db2.gz WJBWNONLOOGPKF-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487744 834887712 /nfs/dbraw/zinc/88/77/12/834887712.db2.gz DWQOWDBTTNIYDV-AWEZNQCLSA-N 1 3 341.456 -0.878 20 0 EBADHO COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293711 835074686 /nfs/dbraw/zinc/07/46/86/835074686.db2.gz ITUFASRQZVPAPO-HOTGVXAUSA-N 1 3 345.484 -0.117 20 0 EBADHO COCCOC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293711 835074697 /nfs/dbraw/zinc/07/46/97/835074697.db2.gz ITUFASRQZVPAPO-HOTGVXAUSA-N 1 3 345.484 -0.117 20 0 EBADHO COC[C@H](O)CN1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865953 835301910 /nfs/dbraw/zinc/30/19/10/835301910.db2.gz RJQBQXQIPOHLNA-HZPDHXFCSA-N 1 3 325.453 -0.130 20 0 EBADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001200658223 836010213 /nfs/dbraw/zinc/01/02/13/836010213.db2.gz IPTYENLFLQOQOH-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200688771 836016572 /nfs/dbraw/zinc/01/65/72/836016572.db2.gz VUUKDYUIDNNSLD-GJZGRUSLSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200688771 836016583 /nfs/dbraw/zinc/01/65/83/836016583.db2.gz VUUKDYUIDNNSLD-GJZGRUSLSA-N 1 3 340.468 -0.058 20 0 EBADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)CCC1 ZINC001200688865 836016635 /nfs/dbraw/zinc/01/66/35/836016635.db2.gz WZPSSBZRKVNNSY-HNNXBMFYSA-N 1 3 343.468 -0.313 20 0 EBADHO CN(C)C1(C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)CCC1 ZINC001200688866 836016683 /nfs/dbraw/zinc/01/66/83/836016683.db2.gz WZPSSBZRKVNNSY-OAHLLOKOSA-N 1 3 343.468 -0.313 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688787 836016870 /nfs/dbraw/zinc/01/68/70/836016870.db2.gz VZIOVJDPCUTJOJ-LSDHHAIUSA-N 1 3 343.468 -0.315 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688682 836017324 /nfs/dbraw/zinc/01/73/24/836017324.db2.gz TYKHIRXZRSKCPK-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001200794436 836036510 /nfs/dbraw/zinc/03/65/10/836036510.db2.gz CJQUKANAVZKAKK-LSDHHAIUSA-N 1 3 331.457 -0.457 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001200796386 836036790 /nfs/dbraw/zinc/03/67/90/836036790.db2.gz XGGJOJYGUNFQIG-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1)C(N)=O ZINC001200887135 836061151 /nfs/dbraw/zinc/06/11/51/836061151.db2.gz IDXYOVNDBBIAFU-KGLIPLIRSA-N 1 3 338.452 -0.304 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)C1CC1 ZINC001201052005 836085214 /nfs/dbraw/zinc/08/52/14/836085214.db2.gz CKJGAISHVNXLID-CQSZACIVSA-N 1 3 346.497 -0.544 20 0 EBADHO NC(=O)CNC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062119 836086043 /nfs/dbraw/zinc/08/60/43/836086043.db2.gz IDWMOHBYTJVVIB-HOCLYGCPSA-N 1 3 338.452 -0.447 20 0 EBADHO CC[C@@H](NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201259516 836119030 /nfs/dbraw/zinc/11/90/30/836119030.db2.gz ARUJKAHYQBXJSJ-ZIAGYGMSSA-N 1 3 340.468 -0.201 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001201277313 836122121 /nfs/dbraw/zinc/12/21/21/836122121.db2.gz QBQVIVNMBZQKGA-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN1CC[C@H](NC[C@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)C1=O ZINC001201277455 836122175 /nfs/dbraw/zinc/12/21/75/836122175.db2.gz SRNIUWRUMBDALJ-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309966 836126870 /nfs/dbraw/zinc/12/68/70/836126870.db2.gz WHGOYNXTKOILTB-OAHLLOKOSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403085 836140621 /nfs/dbraw/zinc/14/06/21/836140621.db2.gz HMXFUKYUIMFMMF-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC1 ZINC001201567814 836160813 /nfs/dbraw/zinc/16/08/13/836160813.db2.gz BTOYTFNJMPRECB-CQSZACIVSA-N 1 3 326.441 -0.589 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201678862 836174947 /nfs/dbraw/zinc/17/49/47/836174947.db2.gz QSVYTVFWZUQWGU-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872178 836208862 /nfs/dbraw/zinc/20/88/62/836208862.db2.gz LVOZIFQISITPPC-KBPBESRZSA-N 1 3 338.452 -0.576 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872182 836209053 /nfs/dbraw/zinc/20/90/53/836209053.db2.gz LVOZIFQISITPPC-KGLIPLIRSA-N 1 3 338.452 -0.576 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872868 836210066 /nfs/dbraw/zinc/21/00/66/836210066.db2.gz SLVFGEAHQRBPRR-CQSZACIVSA-N 1 3 338.452 -0.623 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201907902 836213621 /nfs/dbraw/zinc/21/36/21/836213621.db2.gz FANWPZFZVDKZHG-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201924601 836216671 /nfs/dbraw/zinc/21/66/71/836216671.db2.gz PUUDVNQEAYNECD-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001202163613 836265518 /nfs/dbraw/zinc/26/55/18/836265518.db2.gz HITNBKUIFQNGRO-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1)N(C)C ZINC001202531373 836312120 /nfs/dbraw/zinc/31/21/20/836312120.db2.gz GCTQREVFKNXPHC-AWEZNQCLSA-N 1 3 348.513 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC001203459220 836433136 /nfs/dbraw/zinc/43/31/36/836433136.db2.gz APKBLGBDWMSMDG-INIZCTEOSA-N 1 3 345.484 -0.067 20 0 EBADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001204798946 836530216 /nfs/dbraw/zinc/53/02/16/836530216.db2.gz PERJYUDASWXFHT-YPMHNXCESA-N 1 3 339.440 -0.508 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001206410239 836647167 /nfs/dbraw/zinc/64/71/67/836647167.db2.gz LCEUFSXZWLWATO-UHFFFAOYSA-N 1 3 347.419 -0.071 20 0 EBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001208066398 836939439 /nfs/dbraw/zinc/93/94/39/836939439.db2.gz XHHJNTMUEHSUBF-CYBMUJFWSA-N 1 3 336.440 -0.615 20 0 EBADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208638591 837094594 /nfs/dbraw/zinc/09/45/94/837094594.db2.gz JCXOIIFAEFURRG-DLOXAQCQSA-N 1 3 336.436 -0.824 20 0 EBADHO C[C@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302144 837154293 /nfs/dbraw/zinc/15/42/93/837154293.db2.gz CRGIHNAHOSZLFM-NWDGAFQWSA-N 1 3 339.440 -0.508 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1)[NH+](C)C ZINC001209474745 837169524 /nfs/dbraw/zinc/16/95/24/837169524.db2.gz KBEUPGBUYKEFNR-WCQYABFASA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H](COCC(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001209714668 837193491 /nfs/dbraw/zinc/19/34/91/837193491.db2.gz ADERBVTWNGYOHY-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CNC(=O)CN[C@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209715780 837193598 /nfs/dbraw/zinc/19/35/98/837193598.db2.gz LFUBQGYETZDFGZ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674576 837317314 /nfs/dbraw/zinc/31/73/14/837317314.db2.gz ZNWANJAHHCBXTH-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001210674576 837317326 /nfs/dbraw/zinc/31/73/26/837317326.db2.gz ZNWANJAHHCBXTH-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730011 837853400 /nfs/dbraw/zinc/85/34/00/837853400.db2.gz BGOPFHDHLUGIMH-BZUAXINKSA-N 1 3 343.468 -0.051 20 0 EBADHO C[C@H]1CN(CCCN2C(=O)CNC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001319716608 838170957 /nfs/dbraw/zinc/17/09/57/838170957.db2.gz IOLFSIWPHFJDFZ-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001322102508 839138850 /nfs/dbraw/zinc/13/88/50/839138850.db2.gz AUYSWSMJINUIMU-UHFFFAOYSA-N 1 3 341.500 -0.460 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001326546393 840131587 /nfs/dbraw/zinc/13/15/87/840131587.db2.gz FFDIDEOHLPWPTG-UONOGXRCSA-N 1 3 327.473 -0.628 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC001326993380 840265060 /nfs/dbraw/zinc/26/50/60/840265060.db2.gz DZPBCAMQOCDWEW-CABCVRRESA-N 1 3 342.484 -0.178 20 0 EBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC001327471083 840428502 /nfs/dbraw/zinc/42/85/02/840428502.db2.gz IBVUEFDDTFCDNN-AWEZNQCLSA-N 1 3 341.456 -0.735 20 0 EBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001329565039 840953414 /nfs/dbraw/zinc/95/34/14/840953414.db2.gz FNBBSHGAEMGHGE-UHFFFAOYSA-N 1 3 339.484 -0.707 20 0 EBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001329841385 841038282 /nfs/dbraw/zinc/03/82/82/841038282.db2.gz DQXXUIPPGSBPTK-TZMCWYRMSA-N 1 3 326.441 -0.530 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001330918861 841295734 /nfs/dbraw/zinc/29/57/34/841295734.db2.gz UAGJCPIEZYLPSB-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CCN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC001331167336 841361755 /nfs/dbraw/zinc/36/17/55/841361755.db2.gz GFGQOMSJXZAIOG-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CCN(Cc2cccc(CNC(=O)C(=O)NC3C[NH2+]C3)c2)CC1 ZINC001331490027 841415396 /nfs/dbraw/zinc/41/53/96/841415396.db2.gz UHCWYRUSBZEBTI-UHFFFAOYSA-N 1 3 345.447 -0.862 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001334387527 842047252 /nfs/dbraw/zinc/04/72/52/842047252.db2.gz RSFPTAHDKLPNBV-OAHLLOKOSA-N 1 3 339.484 -0.720 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001335207115 842225490 /nfs/dbraw/zinc/22/54/90/842225490.db2.gz PHDUGQLNWYBDJF-ZDUSSCGKSA-N 1 3 326.441 -0.589 20 0 EBADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001335214581 842228043 /nfs/dbraw/zinc/22/80/43/842228043.db2.gz AIPMABYEGZJGNP-HIFRSBDPSA-N 1 3 338.452 -0.447 20 0 EBADHO CO[C@H]1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001336179386 842412775 /nfs/dbraw/zinc/41/27/75/842412775.db2.gz HOWIJDLHCFOULK-OKILXGFUSA-N 1 3 328.457 -0.521 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001336627230 842518212 /nfs/dbraw/zinc/51/82/12/842518212.db2.gz DSYIGAXOMHLKLL-AWEZNQCLSA-N 1 3 325.457 -0.920 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001342462221 843163733 /nfs/dbraw/zinc/16/37/33/843163733.db2.gz RPZKOQSVVUEHTK-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001344775897 843333955 /nfs/dbraw/zinc/33/39/55/843333955.db2.gz ZSWYMCUSCSQTSP-RRFJBIMHSA-N 1 3 338.452 -0.624 20 0 EBADHO Cc1noc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC001345570822 843407970 /nfs/dbraw/zinc/40/79/70/843407970.db2.gz JTUMOJSDDFPFKD-NSHDSACASA-N 1 3 340.428 -0.493 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001347107819 843593266 /nfs/dbraw/zinc/59/32/66/843593266.db2.gz DBTPXGXZNSWDHN-ARFHVFGLSA-N 1 3 325.501 -0.237 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001691472941 1125883564 /nfs/dbraw/zinc/88/35/64/1125883564.db2.gz HVWFFSVTLAIGLN-HZSPNIEDSA-N 1 3 338.452 -0.040 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118781 1125925815 /nfs/dbraw/zinc/92/58/15/1125925815.db2.gz LTXVRHCABKYEFF-CABCVRRESA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118781 1125925816 /nfs/dbraw/zinc/92/58/16/1125925816.db2.gz LTXVRHCABKYEFF-CABCVRRESA-N 1 3 337.468 -0.209 20 0 EBADHO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)Cc1c[nH]cn1 ZINC001481285384 1125965514 /nfs/dbraw/zinc/96/55/14/1125965514.db2.gz ZGFNEZJDPKDFTJ-UHFFFAOYSA-N 1 3 336.396 -0.669 20 0 EBADHO CN(CCNCC(=O)NCc1cccnc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314648 1125970912 /nfs/dbraw/zinc/97/09/12/1125970912.db2.gz JOHJNLZYNJDYIS-OAHLLOKOSA-N 1 3 333.436 -0.303 20 0 EBADHO CN(CCNCC(=O)NCc1cccnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314648 1125970913 /nfs/dbraw/zinc/97/09/13/1125970913.db2.gz JOHJNLZYNJDYIS-OAHLLOKOSA-N 1 3 333.436 -0.303 20 0 EBADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@@H](C)C1 ZINC001481847840 1126061277 /nfs/dbraw/zinc/06/12/77/1126061277.db2.gz JBACZPUELXOTTM-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284681 1126119129 /nfs/dbraw/zinc/11/91/29/1126119129.db2.gz QJLFGXBCXUHGNF-GFCCVEGCSA-N 1 3 341.456 -0.118 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001482355347 1126137227 /nfs/dbraw/zinc/13/72/27/1126137227.db2.gz FJCXFYBJXQRFMV-RYUDHWBXSA-N 1 3 329.445 -0.391 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364342 1126138914 /nfs/dbraw/zinc/13/89/14/1126138914.db2.gz HNMAWXDHJBTPDN-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482364342 1126138916 /nfs/dbraw/zinc/13/89/16/1126138916.db2.gz HNMAWXDHJBTPDN-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)CN1CCCC1 ZINC001482365986 1126139244 /nfs/dbraw/zinc/13/92/44/1126139244.db2.gz ZTAXNTRZOKOFGM-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001482366296 1126139290 /nfs/dbraw/zinc/13/92/90/1126139290.db2.gz QKGKPJKKAXCVLF-ZDUSSCGKSA-N 1 3 341.456 -0.116 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001482731441 1126262462 /nfs/dbraw/zinc/26/24/62/1126262462.db2.gz ULIRRWVKSGJJFE-QLFBSQMISA-N 1 3 340.468 -0.594 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001482731441 1126262464 /nfs/dbraw/zinc/26/24/64/1126262464.db2.gz ULIRRWVKSGJJFE-QLFBSQMISA-N 1 3 340.468 -0.594 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482730334 1126269179 /nfs/dbraw/zinc/26/91/79/1126269179.db2.gz XBIMETPLYXNCHL-DZGCQCFKSA-N 1 3 340.468 -0.546 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482730334 1126269181 /nfs/dbraw/zinc/26/91/81/1126269181.db2.gz XBIMETPLYXNCHL-DZGCQCFKSA-N 1 3 340.468 -0.546 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482730336 1126269378 /nfs/dbraw/zinc/26/93/78/1126269378.db2.gz XBIMETPLYXNCHL-UKRRQHHQSA-N 1 3 340.468 -0.546 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482730336 1126269380 /nfs/dbraw/zinc/26/93/80/1126269380.db2.gz XBIMETPLYXNCHL-UKRRQHHQSA-N 1 3 340.468 -0.546 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482738372 1126272284 /nfs/dbraw/zinc/27/22/84/1126272284.db2.gz FCBQXZRUMGYCKM-UONOGXRCSA-N 1 3 326.441 -0.840 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482738372 1126272286 /nfs/dbraw/zinc/27/22/86/1126272286.db2.gz FCBQXZRUMGYCKM-UONOGXRCSA-N 1 3 326.441 -0.840 20 0 EBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O)N1CCCC1 ZINC001482756865 1126278759 /nfs/dbraw/zinc/27/87/59/1126278759.db2.gz VOSTYEARFKYNGW-AWEZNQCLSA-N 1 3 340.468 -0.450 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001482761150 1126279687 /nfs/dbraw/zinc/27/96/87/1126279687.db2.gz HFDVWLJAPQHYCQ-OBJOEFQTSA-N 1 3 326.441 -0.938 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001482761150 1126279689 /nfs/dbraw/zinc/27/96/89/1126279689.db2.gz HFDVWLJAPQHYCQ-OBJOEFQTSA-N 1 3 326.441 -0.938 20 0 EBADHO CN1CC[C@H](NC[C@@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774141 1126284723 /nfs/dbraw/zinc/28/47/23/1126284723.db2.gz HLPLGXQCJVTSBK-KGLIPLIRSA-N 1 3 326.441 -0.984 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483008896 1126311928 /nfs/dbraw/zinc/31/19/28/1126311928.db2.gz PGYPXCJWWWBNQR-TXTSOVJRSA-N 1 3 336.436 -0.216 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483008896 1126311930 /nfs/dbraw/zinc/31/19/30/1126311930.db2.gz PGYPXCJWWWBNQR-TXTSOVJRSA-N 1 3 336.436 -0.216 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161765 1126348806 /nfs/dbraw/zinc/34/88/06/1126348806.db2.gz QZKWMJABRLDXQM-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481380 1126370627 /nfs/dbraw/zinc/37/06/27/1126370627.db2.gz WYHJNAQMFRRPDO-KBPBESRZSA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@@H](NC[C@H](C)NC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001483272441 1126412645 /nfs/dbraw/zinc/41/26/45/1126412645.db2.gz XSLASXHIJLAGDB-WDEREUQCSA-N 1 3 327.429 -0.604 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284149 1126413501 /nfs/dbraw/zinc/41/35/01/1126413501.db2.gz BXNDCURFKWMWOG-RYUDHWBXSA-N 1 3 339.440 -0.589 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483456097 1126428732 /nfs/dbraw/zinc/42/87/32/1126428732.db2.gz MOBKIBNWGNDGJA-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO C[NH+]1CCC(CC(=O)NCC2(NCC(N)=O)CCOCC2)CC1 ZINC001484188710 1126514585 /nfs/dbraw/zinc/51/45/85/1126514585.db2.gz BSFCWWXOMUIISP-UHFFFAOYSA-N 1 3 326.441 -0.541 20 0 EBADHO CN1CC[C@H](NCCN(CCO)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001484485439 1126595426 /nfs/dbraw/zinc/59/54/26/1126595426.db2.gz JVWSKTLQPMZHJS-GJZGRUSLSA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CC[C@H](NCCN(CCO)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001484485439 1126595427 /nfs/dbraw/zinc/59/54/27/1126595427.db2.gz JVWSKTLQPMZHJS-GJZGRUSLSA-N 1 3 340.468 -0.498 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676929 1126618475 /nfs/dbraw/zinc/61/84/75/1126618475.db2.gz GOGYCVGUMBSXMM-GJZGRUSLSA-N 1 3 338.452 -0.719 20 0 EBADHO C[NH+]1CCC(CC(=O)NC2(CNCC(N)=O)CCOCC2)CC1 ZINC001484869655 1126647290 /nfs/dbraw/zinc/64/72/90/1126647290.db2.gz OEYVLABQPMXQRW-UHFFFAOYSA-N 1 3 326.441 -0.541 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCOCC1 ZINC001484868257 1126648643 /nfs/dbraw/zinc/64/86/43/1126648643.db2.gz GOLGDNZVHCAUIQ-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC2(CO)CCN(CCCO)CC2)CC1 ZINC001485026154 1126667168 /nfs/dbraw/zinc/66/71/68/1126667168.db2.gz YUKFJJCQGSJDON-UHFFFAOYSA-N 1 3 343.468 -0.577 20 0 EBADHO C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)N[C@H]1CCNC1=O ZINC001485875735 1126904026 /nfs/dbraw/zinc/90/40/26/1126904026.db2.gz BJAIRJXGCICTFK-STQMWFEESA-N 1 3 336.440 -0.617 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001485913963 1126914396 /nfs/dbraw/zinc/91/43/96/1126914396.db2.gz IKADTJGBPQIFRX-LLVKDONJSA-N 1 3 327.429 -0.780 20 0 EBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCOCC1 ZINC001485920075 1126915930 /nfs/dbraw/zinc/91/59/30/1126915930.db2.gz QTDCBIFYAQOWJB-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO Cn1ccc(CN[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001486051986 1127021422 /nfs/dbraw/zinc/02/14/22/1127021422.db2.gz APGLKYHUWLWEOS-CQSZACIVSA-N 1 3 334.420 -0.952 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001486092227 1127031249 /nfs/dbraw/zinc/03/12/49/1127031249.db2.gz MTBHURYIGDSNFM-UONOGXRCSA-N 1 3 348.513 -0.201 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133362 1127043976 /nfs/dbraw/zinc/04/39/76/1127043976.db2.gz BJXVPNDPNLUHDT-CHWSQXEVSA-N 1 3 341.456 -0.249 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001486281811 1127078220 /nfs/dbraw/zinc/07/82/20/1127078220.db2.gz VHKGNTIDJONZIQ-STQMWFEESA-N 1 3 326.441 -0.842 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001486304084 1127108735 /nfs/dbraw/zinc/10/87/35/1127108735.db2.gz YHEUJXDDTUXYPM-LSDHHAIUSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001486304084 1127108738 /nfs/dbraw/zinc/10/87/38/1127108738.db2.gz YHEUJXDDTUXYPM-LSDHHAIUSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304084 1127108742 /nfs/dbraw/zinc/10/87/42/1127108742.db2.gz YHEUJXDDTUXYPM-LSDHHAIUSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001486316871 1127118886 /nfs/dbraw/zinc/11/88/86/1127118886.db2.gz ADBNHPHZCHPNNG-ZIAGYGMSSA-N 1 3 338.456 -0.486 20 0 EBADHO C[C@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001410106485 1127569448 /nfs/dbraw/zinc/56/94/48/1127569448.db2.gz FAXGHCJAMOUWHI-HUUCEWRRSA-N 1 3 342.484 -0.204 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410113190 1127577648 /nfs/dbraw/zinc/57/76/48/1127577648.db2.gz QIPVGFNSSPMPOD-KGLIPLIRSA-N 1 3 349.435 -0.804 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001410125220 1127590350 /nfs/dbraw/zinc/59/03/50/1127590350.db2.gz IMMVMUUTZIDWOE-CHWSQXEVSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001410125220 1127590353 /nfs/dbraw/zinc/59/03/53/1127590353.db2.gz IMMVMUUTZIDWOE-CHWSQXEVSA-N 1 3 326.441 -0.984 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001410228554 1127650050 /nfs/dbraw/zinc/65/00/50/1127650050.db2.gz QMSGFRDWZBXFJJ-AVGNSLFASA-N 1 3 339.440 -0.732 20 0 EBADHO C[C@@H](CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001410740854 1127854882 /nfs/dbraw/zinc/85/48/82/1127854882.db2.gz XZIBRRWULGYJRF-GXTWGEPZSA-N 1 3 349.497 -0.924 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001410827277 1127909014 /nfs/dbraw/zinc/90/90/14/1127909014.db2.gz YQQNSXXJMJIRNO-PWSUYJOCSA-N 1 3 325.413 -0.755 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001410865042 1127922082 /nfs/dbraw/zinc/92/20/82/1127922082.db2.gz USIJSIDPDVCUEW-OLZOCXBDSA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001410958271 1127952388 /nfs/dbraw/zinc/95/23/88/1127952388.db2.gz PJUFMFYKZOLWSQ-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001411055451 1127990158 /nfs/dbraw/zinc/99/01/58/1127990158.db2.gz AEVRBDRLMACRTR-ZIAGYGMSSA-N 1 3 338.456 -0.104 20 0 EBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001411055451 1127990161 /nfs/dbraw/zinc/99/01/61/1127990161.db2.gz AEVRBDRLMACRTR-ZIAGYGMSSA-N 1 3 338.456 -0.104 20 0 EBADHO CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001411080936 1128005861 /nfs/dbraw/zinc/00/58/61/1128005861.db2.gz PJSAVZAFAFHFEB-KBPBESRZSA-N 1 3 338.452 -0.840 20 0 EBADHO CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001411098267 1128014982 /nfs/dbraw/zinc/01/49/82/1128014982.db2.gz NXLIHDAIXGUILC-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(C[C@H](O)CNCC(=O)N(C)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001411156859 1128050276 /nfs/dbraw/zinc/05/02/76/1128050276.db2.gz XPJBIHIXLISQNY-CQSZACIVSA-N 1 3 338.452 -0.888 20 0 EBADHO CC(C)[C@H]1N(C(=O)Cc2c[nH]cn2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093467663 1128342896 /nfs/dbraw/zinc/34/28/96/1128342896.db2.gz VDIXZPRZPFWYMH-SRABZTEZSA-N 1 3 336.436 -0.089 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001488030042 1128571122 /nfs/dbraw/zinc/57/11/22/1128571122.db2.gz OPXCEUCJGFLWAU-AWEZNQCLSA-N 1 3 328.457 -0.738 20 0 EBADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)CC1 ZINC001489168847 1128915760 /nfs/dbraw/zinc/91/57/60/1128915760.db2.gz LURQFCSXLISMFZ-MRXNPFEDSA-N 1 3 327.469 -0.004 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001489604743 1129026556 /nfs/dbraw/zinc/02/65/56/1129026556.db2.gz WHNBNBMHWJWDBU-KGLIPLIRSA-N 1 3 338.452 -0.890 20 0 EBADHO C[C@H](NCC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490308683 1129163213 /nfs/dbraw/zinc/16/32/13/1129163213.db2.gz VWPAFJNQQQQQFQ-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@H](O)CN1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001490466914 1129181705 /nfs/dbraw/zinc/18/17/05/1129181705.db2.gz LZXZMMGWYDMRQT-ARFHVFGLSA-N 1 3 326.485 -0.169 20 0 EBADHO C[C@H](O)CN1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001490466914 1129181707 /nfs/dbraw/zinc/18/17/07/1129181707.db2.gz LZXZMMGWYDMRQT-ARFHVFGLSA-N 1 3 326.485 -0.169 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NC2(CCO)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001411774527 1129379464 /nfs/dbraw/zinc/37/94/64/1129379464.db2.gz SFPCMRQVUQMUKW-CYBMUJFWSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NC2(CCO)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001411774527 1129379468 /nfs/dbraw/zinc/37/94/68/1129379468.db2.gz SFPCMRQVUQMUKW-CYBMUJFWSA-N 1 3 349.435 -0.626 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001412867928 1129744602 /nfs/dbraw/zinc/74/46/02/1129744602.db2.gz AJTAOCATBLKZFG-GJZGRUSLSA-N 1 3 342.484 -0.492 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001490950097 1130272503 /nfs/dbraw/zinc/27/25/03/1130272503.db2.gz YPESVLOWEGOBRO-HAQNSBGRSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001491056198 1130309122 /nfs/dbraw/zinc/30/91/22/1130309122.db2.gz VNJZUKAFNQCDDU-MCIONIFRSA-N 1 3 331.482 0.000 20 0 EBADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001491079090 1130313901 /nfs/dbraw/zinc/31/39/01/1130313901.db2.gz GTTYHBINBAUYAM-MELADBBJSA-N 1 3 348.451 -0.144 20 0 EBADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n(C)n1 ZINC001491079090 1130313908 /nfs/dbraw/zinc/31/39/08/1130313908.db2.gz GTTYHBINBAUYAM-MELADBBJSA-N 1 3 348.451 -0.144 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001366091181 1132997895 /nfs/dbraw/zinc/99/78/95/1132997895.db2.gz QSTIZDOGGRYROA-JKSUJKDBSA-N 1 3 345.447 -0.018 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)N(C)C ZINC001366116167 1133013679 /nfs/dbraw/zinc/01/36/79/1133013679.db2.gz GSDOYMWACVKJFH-ZQDZILKHSA-N 1 3 340.468 -0.141 20 0 EBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCOCC1 ZINC001366324020 1133099505 /nfs/dbraw/zinc/09/95/05/1133099505.db2.gz OITYFEQPGSNZMA-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N1CCOCC1)[NH+](C)C ZINC001366327268 1133100578 /nfs/dbraw/zinc/10/05/78/1133100578.db2.gz UGLQBVBLGGGILO-UKRRQHHQSA-N 1 3 328.457 -0.474 20 0 EBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCCN1CCCS1(=O)=O ZINC001366340869 1133104780 /nfs/dbraw/zinc/10/47/80/1133104780.db2.gz GMAGIFCHXYKCBS-CYBMUJFWSA-N 1 3 344.481 -0.788 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001366383386 1133121983 /nfs/dbraw/zinc/12/19/83/1133121983.db2.gz XMJRFJGKOUWFFW-NEPJUHHUSA-N 1 3 337.424 -0.611 20 0 EBADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482474 1133155984 /nfs/dbraw/zinc/15/59/84/1133155984.db2.gz FYYASTAYMAQZEZ-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001367014857 1133426167 /nfs/dbraw/zinc/42/61/67/1133426167.db2.gz RHVFAKRMSXVOIM-GJZGRUSLSA-N 1 3 339.440 -0.744 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390331 1133574072 /nfs/dbraw/zinc/57/40/72/1133574072.db2.gz KAYUWNMHYULQTO-CHWSQXEVSA-N 1 3 338.456 -0.371 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390351 1133574180 /nfs/dbraw/zinc/57/41/80/1133574180.db2.gz KAYUWNMHYULQTO-STQMWFEESA-N 1 3 338.456 -0.371 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)N(C)C ZINC001367496830 1133603722 /nfs/dbraw/zinc/60/37/22/1133603722.db2.gz XNBITLJXVOHISY-NEPJUHHUSA-N 1 3 329.445 -0.487 20 0 EBADHO C[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001367602828 1133680451 /nfs/dbraw/zinc/68/04/51/1133680451.db2.gz PULWWBJMHMDSEI-HUUCEWRRSA-N 1 3 342.484 -0.204 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614443 1133694898 /nfs/dbraw/zinc/69/48/98/1133694898.db2.gz AJMKPJWXLBRBNH-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614443 1133694902 /nfs/dbraw/zinc/69/49/02/1133694902.db2.gz AJMKPJWXLBRBNH-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@H](O)CNCc2cncs2)CC1 ZINC001367619422 1133702479 /nfs/dbraw/zinc/70/24/79/1133702479.db2.gz QRNFSPRILVHVAO-GFCCVEGCSA-N 1 3 342.465 -0.179 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368108426 1133941052 /nfs/dbraw/zinc/94/10/52/1133941052.db2.gz IZYJXVQODHHBRH-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CCN1CC[C@H](N2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290419 1134108247 /nfs/dbraw/zinc/10/82/47/1134108247.db2.gz USSJIVBZTRAARP-WMLDXEAASA-N 1 3 338.452 -0.744 20 0 EBADHO CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001368397391 1134200852 /nfs/dbraw/zinc/20/08/52/1134200852.db2.gz MURXMQGCVQJFQI-CQSZACIVSA-N 1 3 342.484 -0.348 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368478546 1134247319 /nfs/dbraw/zinc/24/73/19/1134247319.db2.gz XLLZZQRNJSNSGP-LBPRGKRZSA-N 1 3 339.440 -0.316 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001368478546 1134247326 /nfs/dbraw/zinc/24/73/26/1134247326.db2.gz XLLZZQRNJSNSGP-LBPRGKRZSA-N 1 3 339.440 -0.316 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368535898 1134281251 /nfs/dbraw/zinc/28/12/51/1134281251.db2.gz PSGZXSZQWHYAMT-FRRDWIJNSA-N 1 3 339.440 -0.460 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001368595268 1134312999 /nfs/dbraw/zinc/31/29/99/1134312999.db2.gz ZNKFNOVLMMCWPL-LPWJVIDDSA-N 1 3 341.456 -0.345 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001368684034 1134383491 /nfs/dbraw/zinc/38/34/91/1134383491.db2.gz RZNAGEKNDDILOC-CHWSQXEVSA-N 1 3 328.457 -0.611 20 0 EBADHO CCN(C)C(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368685015 1134383935 /nfs/dbraw/zinc/38/39/35/1134383935.db2.gz LUVOTAOIQBKILR-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(C)C(=O)CNCC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001368685015 1134383942 /nfs/dbraw/zinc/38/39/42/1134383942.db2.gz LUVOTAOIQBKILR-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001368689448 1134390040 /nfs/dbraw/zinc/39/00/40/1134390040.db2.gz JKAVPQSUKWHONN-KBPBESRZSA-N 1 3 331.457 -0.723 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001368840011 1134461708 /nfs/dbraw/zinc/46/17/08/1134461708.db2.gz KQKROYRKXHWJQK-MNOVXSKESA-N 1 3 327.429 -0.591 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCOCC1 ZINC001368895089 1134478297 /nfs/dbraw/zinc/47/82/97/1134478297.db2.gz PQYZONWOOJTBPL-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCOCC1 ZINC001368895089 1134478300 /nfs/dbraw/zinc/47/83/00/1134478300.db2.gz PQYZONWOOJTBPL-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369251439 1134630081 /nfs/dbraw/zinc/63/00/81/1134630081.db2.gz QCJLBJSMAOWMLD-NEPJUHHUSA-N 1 3 341.456 -0.249 20 0 EBADHO CCN(CC)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001369347386 1134696788 /nfs/dbraw/zinc/69/67/88/1134696788.db2.gz JXNMLWYKIHIWSL-KGLIPLIRSA-N 1 3 328.457 -0.594 20 0 EBADHO C[C@H](N[C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361163 1134713053 /nfs/dbraw/zinc/71/30/53/1134713053.db2.gz KKIAPPDSYIGHDA-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@@H](N[C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361165 1134713387 /nfs/dbraw/zinc/71/33/87/1134713387.db2.gz KKIAPPDSYIGHDA-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369391820 1134752133 /nfs/dbraw/zinc/75/21/33/1134752133.db2.gz NGOXFCPYPXLWAN-MNOVXSKESA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410558 1134767723 /nfs/dbraw/zinc/76/77/23/1134767723.db2.gz WDLTXDJUWNVWDD-PWSUYJOCSA-N 1 3 325.413 -0.898 20 0 EBADHO COc1cc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001369478461 1134841717 /nfs/dbraw/zinc/84/17/17/1134841717.db2.gz CPENUEQQKWAONM-HUUCEWRRSA-N 1 3 336.436 -0.049 20 0 EBADHO COc1cc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001369478461 1134841730 /nfs/dbraw/zinc/84/17/30/1134841730.db2.gz CPENUEQQKWAONM-HUUCEWRRSA-N 1 3 336.436 -0.049 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480063 1134843720 /nfs/dbraw/zinc/84/37/20/1134843720.db2.gz MTVBEUMQOPRYHJ-OCCSQVGLSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369480063 1134843724 /nfs/dbraw/zinc/84/37/24/1134843724.db2.gz MTVBEUMQOPRYHJ-OCCSQVGLSA-N 1 3 326.441 -0.984 20 0 EBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001369489555 1134863557 /nfs/dbraw/zinc/86/35/57/1134863557.db2.gz XOXSQFZDDQIIPW-GJZGRUSLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001369489558 1134863451 /nfs/dbraw/zinc/86/34/51/1134863451.db2.gz XOXSQFZDDQIIPW-HUUCEWRRSA-N 1 3 342.484 -0.252 20 0 EBADHO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001369490261 1134863961 /nfs/dbraw/zinc/86/39/61/1134863961.db2.gz OTLNDJZZDILRKU-IUODEOHRSA-N 1 3 336.436 -0.356 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)CC1 ZINC001370503062 1135379597 /nfs/dbraw/zinc/37/95/97/1135379597.db2.gz OHHJFRRJAWUNJU-JOCQHMNTSA-N 1 3 346.435 -0.006 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001370548964 1135404257 /nfs/dbraw/zinc/40/42/57/1135404257.db2.gz QLRPIPRMSALDKO-HDJSIYSDSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC001370758041 1135600543 /nfs/dbraw/zinc/60/05/43/1135600543.db2.gz QZYAMBPSLXXPTG-ZIAGYGMSSA-N 1 3 342.484 -0.350 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001370933699 1135699420 /nfs/dbraw/zinc/69/94/20/1135699420.db2.gz UVSCNUDKDGESJV-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001371513921 1135943183 /nfs/dbraw/zinc/94/31/83/1135943183.db2.gz UCWUGRRTFJRIQI-HZSPNIEDSA-N 1 3 346.497 -0.592 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001371513921 1135943185 /nfs/dbraw/zinc/94/31/85/1135943185.db2.gz UCWUGRRTFJRIQI-HZSPNIEDSA-N 1 3 346.497 -0.592 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001371534843 1135958878 /nfs/dbraw/zinc/95/88/78/1135958878.db2.gz ZDMLKEIDRCQDII-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001371768569 1136016825 /nfs/dbraw/zinc/01/68/25/1136016825.db2.gz GUFHPNODRLQDIU-AAEUAGOBSA-N 1 3 329.445 -0.487 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372941794 1136332866 /nfs/dbraw/zinc/33/28/66/1136332866.db2.gz CDRHXNXHIJDSSX-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372941794 1136332869 /nfs/dbraw/zinc/33/28/69/1136332869.db2.gz CDRHXNXHIJDSSX-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372941789 1136332979 /nfs/dbraw/zinc/33/29/79/1136332979.db2.gz CDRHXNXHIJDSSX-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372941789 1136332983 /nfs/dbraw/zinc/33/29/83/1136332983.db2.gz CDRHXNXHIJDSSX-NEPJUHHUSA-N 1 3 327.429 -0.780 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787879 1136560774 /nfs/dbraw/zinc/56/07/74/1136560774.db2.gz GOKDTWUNKPWISY-OLZOCXBDSA-N 1 3 341.456 -0.212 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CC)NCC(=O)NC(N)=O)C1 ZINC001373787879 1136560777 /nfs/dbraw/zinc/56/07/77/1136560777.db2.gz GOKDTWUNKPWISY-OLZOCXBDSA-N 1 3 341.456 -0.212 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001373970181 1136596315 /nfs/dbraw/zinc/59/63/15/1136596315.db2.gz HOYJSVZLPHZIQS-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001373970181 1136596317 /nfs/dbraw/zinc/59/63/17/1136596317.db2.gz HOYJSVZLPHZIQS-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649975 1136774833 /nfs/dbraw/zinc/77/48/33/1136774833.db2.gz FABNXDNPYJVYRG-UONOGXRCSA-N 1 3 326.441 -0.983 20 0 EBADHO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC1 ZINC001374651431 1136775885 /nfs/dbraw/zinc/77/58/85/1136775885.db2.gz MSXAAGWEQRPAIP-AWEZNQCLSA-N 1 3 326.441 -0.936 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001374652646 1136776375 /nfs/dbraw/zinc/77/63/75/1136776375.db2.gz OTBUXOVBIPNKGI-OAGGEKHMSA-N 1 3 348.447 -0.856 20 0 EBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001374652646 1136776378 /nfs/dbraw/zinc/77/63/78/1136776378.db2.gz OTBUXOVBIPNKGI-OAGGEKHMSA-N 1 3 348.447 -0.856 20 0 EBADHO CCN(C)C(=O)CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001374654202 1136777653 /nfs/dbraw/zinc/77/76/53/1136777653.db2.gz WGNUMRZGONJNAD-AWEZNQCLSA-N 1 3 328.457 -0.737 20 0 EBADHO CCN(C)C(=O)CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001374654203 1136777917 /nfs/dbraw/zinc/77/79/17/1136777917.db2.gz WGNUMRZGONJNAD-CQSZACIVSA-N 1 3 328.457 -0.737 20 0 EBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374671939 1136790687 /nfs/dbraw/zinc/79/06/87/1136790687.db2.gz REOYNGHIFPDMRH-KBPBESRZSA-N 1 3 338.456 -0.485 20 0 EBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374671939 1136790691 /nfs/dbraw/zinc/79/06/91/1136790691.db2.gz REOYNGHIFPDMRH-KBPBESRZSA-N 1 3 338.456 -0.485 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001374755369 1136823429 /nfs/dbraw/zinc/82/34/29/1136823429.db2.gz MBGPNAGVFSLUIR-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374808800 1136838400 /nfs/dbraw/zinc/83/84/00/1136838400.db2.gz YVRQJHJQPZKICH-XQHKEYJVSA-N 1 3 341.456 -0.345 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374808800 1136838403 /nfs/dbraw/zinc/83/84/03/1136838403.db2.gz YVRQJHJQPZKICH-XQHKEYJVSA-N 1 3 341.456 -0.345 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001374812213 1136839453 /nfs/dbraw/zinc/83/94/53/1136839453.db2.gz VZPACOBZQNDCCM-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374846319 1136851630 /nfs/dbraw/zinc/85/16/30/1136851630.db2.gz GRZYEPDZVCFADO-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374846319 1136851632 /nfs/dbraw/zinc/85/16/32/1136851632.db2.gz GRZYEPDZVCFADO-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001374906934 1136870449 /nfs/dbraw/zinc/87/04/49/1136870449.db2.gz VWAYLDXERUQZEL-DMDPSCGWSA-N 1 3 341.456 -0.202 20 0 EBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001374981675 1136888695 /nfs/dbraw/zinc/88/86/95/1136888695.db2.gz ISYDOEAMCFCFKC-RYUDHWBXSA-N 1 3 327.429 -0.460 20 0 EBADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000557246512 376167248 /nfs/dbraw/zinc/16/72/48/376167248.db2.gz WXGUYBHXJMGFSH-HNNXBMFYSA-N 1 3 339.484 -0.674 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642792265 376180191 /nfs/dbraw/zinc/18/01/91/376180191.db2.gz HKSTTWRSYNHBJI-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO Cc1nccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000560304253 376672182 /nfs/dbraw/zinc/67/21/82/376672182.db2.gz AVDVICYMGJHIJS-UHFFFAOYSA-N 1 3 336.440 -0.647 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919983 376754703 /nfs/dbraw/zinc/75/47/03/376754703.db2.gz RDHYHQJVKNXRFJ-UHFFFAOYSA-N 1 3 347.419 -0.393 20 0 EBADHO C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562949560 377055054 /nfs/dbraw/zinc/05/50/54/377055054.db2.gz NOEGJJSRGTWSHN-HUUCEWRRSA-N 1 3 342.484 -0.585 20 0 EBADHO C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562949561 377056692 /nfs/dbraw/zinc/05/66/92/377056692.db2.gz NOEGJJSRGTWSHN-LSDHHAIUSA-N 1 3 342.484 -0.585 20 0 EBADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000562961586 377067460 /nfs/dbraw/zinc/06/74/60/377067460.db2.gz CTCBUJJDQBBXLA-CABCVRRESA-N 1 3 339.484 -0.580 20 0 EBADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000562961586 377067472 /nfs/dbraw/zinc/06/74/72/377067472.db2.gz CTCBUJJDQBBXLA-CABCVRRESA-N 1 3 339.484 -0.580 20 0 EBADHO CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102811846 377355729 /nfs/dbraw/zinc/35/57/29/377355729.db2.gz WYXOMOKMPDQSTI-OAHLLOKOSA-N 1 3 336.436 -0.232 20 0 EBADHO C[NH+](C)CCN1CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636534019 377560361 /nfs/dbraw/zinc/56/03/61/377560361.db2.gz FRCSVZOKXXGMFI-OAHLLOKOSA-N 1 3 327.473 -0.622 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CCN2C1=O ZINC000595272393 377987708 /nfs/dbraw/zinc/98/77/08/377987708.db2.gz YOJWJIIZUZZQIG-JSGCOSHPSA-N 1 3 335.383 -0.262 20 0 EBADHO C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCSC1 ZINC000595269206 377987868 /nfs/dbraw/zinc/98/78/68/377987868.db2.gz QLYKGJBNTZVCHG-JMSVASOKSA-N 1 3 341.481 -0.623 20 0 EBADHO COC(=O)CCN1CCC[C@@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890809 378033254 /nfs/dbraw/zinc/03/32/54/378033254.db2.gz FGMZADLBPSSRBQ-HUUCEWRRSA-N 1 3 338.452 -0.480 20 0 EBADHO O=C(CC[NH2+]C1(CO)CCNCC1)NC(=O)NCC(F)(F)F ZINC000595897472 378034668 /nfs/dbraw/zinc/03/46/68/378034668.db2.gz YYPQMICLYBMDKE-UHFFFAOYSA-N 1 3 326.319 -0.531 20 0 EBADHO C[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)N1CCN(C)CC1 ZINC000603899292 378426242 /nfs/dbraw/zinc/42/62/42/378426242.db2.gz RVWBHMFJJRKMBC-INIZCTEOSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)N1CCN(C)CC1 ZINC000603899292 378426246 /nfs/dbraw/zinc/42/62/46/378426246.db2.gz RVWBHMFJJRKMBC-INIZCTEOSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)N1CCN(C)CC1 ZINC000603899292 378426255 /nfs/dbraw/zinc/42/62/55/378426255.db2.gz RVWBHMFJJRKMBC-INIZCTEOSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)N1CCN(C)CC1 ZINC000603899292 378426259 /nfs/dbraw/zinc/42/62/59/378426259.db2.gz RVWBHMFJJRKMBC-INIZCTEOSA-N 1 3 325.501 -0.234 20 0 EBADHO CNS(=O)(=O)CCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000338149959 378741282 /nfs/dbraw/zinc/74/12/82/378741282.db2.gz NLCBFBVHVGWMIV-KGLIPLIRSA-N 1 3 346.497 -0.494 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000571299943 379124329 /nfs/dbraw/zinc/12/43/29/379124329.db2.gz PRAQPBUWMTVAAC-LBPRGKRZSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000629792064 379135883 /nfs/dbraw/zinc/13/58/83/379135883.db2.gz HCUKMMJVZVSHLQ-OAHLLOKOSA-N 1 3 340.468 -0.103 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000629795310 379140595 /nfs/dbraw/zinc/14/05/95/379140595.db2.gz JAORTVZCIHBIOQ-HNNXBMFYSA-N 1 3 340.468 -0.103 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000629794950 379141045 /nfs/dbraw/zinc/14/10/45/379141045.db2.gz SEPGFVRLHPNNCJ-UHFFFAOYSA-N 1 3 328.457 -0.247 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000629798762 379142754 /nfs/dbraw/zinc/14/27/54/379142754.db2.gz ZPLJVOZTQIPMNY-CQSZACIVSA-N 1 3 325.457 -0.968 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C[NH2+]1 ZINC000627296834 379142926 /nfs/dbraw/zinc/14/29/26/379142926.db2.gz URXXAOGDAUXWMB-RBSFLKMASA-N 1 3 340.468 -0.140 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407752 379174681 /nfs/dbraw/zinc/17/46/81/379174681.db2.gz KKFRTSGKXVYARJ-HUUCEWRRSA-N 1 3 349.483 -0.042 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000458441498 379224131 /nfs/dbraw/zinc/22/41/31/379224131.db2.gz SCEASWGBLBEYQC-LSDHHAIUSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000458441498 379224136 /nfs/dbraw/zinc/22/41/36/379224136.db2.gz SCEASWGBLBEYQC-LSDHHAIUSA-N 1 3 328.457 -0.147 20 0 EBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627325535 379332571 /nfs/dbraw/zinc/33/25/71/379332571.db2.gz NBLLEHGWDBQAEE-CQSZACIVSA-N 1 3 334.420 -0.279 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000627311566 379301194 /nfs/dbraw/zinc/30/11/94/379301194.db2.gz BZCWXUOUMSYANA-QLFBSQMISA-N 1 3 342.484 -0.179 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000627311569 379301724 /nfs/dbraw/zinc/30/17/24/379301724.db2.gz BZCWXUOUMSYANA-ZNMIVQPWSA-N 1 3 342.484 -0.179 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000627312109 379303645 /nfs/dbraw/zinc/30/36/45/379303645.db2.gz PQTSSGMEONMTCG-GJZGRUSLSA-N 1 3 342.484 -0.083 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028713 379398928 /nfs/dbraw/zinc/39/89/28/379398928.db2.gz VBNFFHAKAMWEQJ-BBRMVZONSA-N 1 3 326.441 -0.637 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)C[NH2+]1 ZINC000627364300 379566069 /nfs/dbraw/zinc/56/60/69/379566069.db2.gz MBTWGLPDCVJIRU-GJZGRUSLSA-N 1 3 339.484 -0.613 20 0 EBADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627381390 379573482 /nfs/dbraw/zinc/57/34/82/379573482.db2.gz QFIQLVKMLGVRAA-CQSZACIVSA-N 1 3 331.420 -0.108 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627384381 379576273 /nfs/dbraw/zinc/57/62/73/379576273.db2.gz CYGJWMXFAAXQPF-ZDUSSCGKSA-N 1 3 326.441 -0.528 20 0 EBADHO CN1CCC2(CCCN2C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627487266 379637785 /nfs/dbraw/zinc/63/77/85/379637785.db2.gz YGHHWANHRKXYON-UHFFFAOYSA-N 1 3 326.441 -0.445 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccncc3)CC2)C[NH2+]1 ZINC000627476655 379624486 /nfs/dbraw/zinc/62/44/86/379624486.db2.gz IWOUSTJLSOBICZ-ZIAGYGMSSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000631840780 379762597 /nfs/dbraw/zinc/76/25/97/379762597.db2.gz VQTHTKDNKVQPKX-VXGBXAGGSA-N 1 3 334.424 -0.650 20 0 EBADHO C[NH2+]CCOCCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000626973912 379768364 /nfs/dbraw/zinc/76/83/64/379768364.db2.gz LVPATEMCUHYNBL-UHFFFAOYSA-N 1 3 343.472 -0.536 20 0 EBADHO COC[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCCN1 ZINC000637820335 379865693 /nfs/dbraw/zinc/86/56/93/379865693.db2.gz WQZSLLBQJCPIRS-CJNGLKHVSA-N 1 3 326.441 -0.541 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCC[C@@H](C)C1 ZINC000627485148 379904288 /nfs/dbraw/zinc/90/42/88/379904288.db2.gz SZVQBRCEDNPCAV-KGLIPLIRSA-N 1 3 328.457 -0.295 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000614855302 379999359 /nfs/dbraw/zinc/99/93/59/379999359.db2.gz XAXVKNSBYUQCGN-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000614855302 379999366 /nfs/dbraw/zinc/99/93/66/379999366.db2.gz XAXVKNSBYUQCGN-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000074677964 380106395 /nfs/dbraw/zinc/10/63/95/380106395.db2.gz UBSMAQZQRSEUIU-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000564552735 380373963 /nfs/dbraw/zinc/37/39/63/380373963.db2.gz JVMLFZBPEGVOJA-HNNXBMFYSA-N 1 3 341.500 -0.284 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000340268199 380392580 /nfs/dbraw/zinc/39/25/80/380392580.db2.gz QBLUZDUURRVTRN-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CN1CCC(C[NH2+]C[C@H](O)Cn2cccn2)(N2CCOCC2)CC1 ZINC000567104610 380501602 /nfs/dbraw/zinc/50/16/02/380501602.db2.gz WMRLGULQZBPVFA-INIZCTEOSA-N 1 3 337.468 -0.370 20 0 EBADHO CO[C@@H](CN)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000290196899 380462627 /nfs/dbraw/zinc/46/26/27/380462627.db2.gz QWEJLFHWYRRKBI-CVEARBPZSA-N 1 3 348.447 -0.026 20 0 EBADHO CO[C@@H](CN)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000290196899 380462628 /nfs/dbraw/zinc/46/26/28/380462628.db2.gz QWEJLFHWYRRKBI-CVEARBPZSA-N 1 3 348.447 -0.026 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000340583567 380557473 /nfs/dbraw/zinc/55/74/73/380557473.db2.gz HNTMLGURAHOAJJ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000340583567 380557479 /nfs/dbraw/zinc/55/74/79/380557479.db2.gz HNTMLGURAHOAJJ-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000573355382 380670944 /nfs/dbraw/zinc/67/09/44/380670944.db2.gz ZKHCYHQNXLTASW-CYBMUJFWSA-N 1 3 326.441 -0.495 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NCCC[NH+]2CCCCC2)n1 ZINC000341392333 380695239 /nfs/dbraw/zinc/69/52/39/380695239.db2.gz VKGCSRDEKSKDRO-UHFFFAOYSA-N 1 3 337.472 -0.350 20 0 EBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000583692605 380840473 /nfs/dbraw/zinc/84/04/73/380840473.db2.gz PMTIIGIHRRGREC-CQSZACIVSA-N 1 3 346.435 -0.312 20 0 EBADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1COC[C@H]1O ZINC000376701264 380929757 /nfs/dbraw/zinc/92/97/57/380929757.db2.gz QGTLPUYNCOOLJE-HZPDHXFCSA-N 1 3 340.468 -0.054 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417431645 380886147 /nfs/dbraw/zinc/88/61/47/380886147.db2.gz RJVOGXHKHSCQGV-ZIAGYGMSSA-N 1 3 325.457 -0.034 20 0 EBADHO CCN(C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@H+](C)CC)O1 ZINC000189498619 380905660 /nfs/dbraw/zinc/90/56/60/380905660.db2.gz HCHITGZLZNCSSP-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)CC)O1 ZINC000189498619 380905679 /nfs/dbraw/zinc/90/56/79/380905679.db2.gz HCHITGZLZNCSSP-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CS[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000563794273 380950495 /nfs/dbraw/zinc/95/04/95/380950495.db2.gz OBTSCDGKDFDLEJ-CYBMUJFWSA-N 1 3 330.498 -0.098 20 0 EBADHO C[C@@H](NC(=O)CNC[C@H]1CCCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000579107688 380971301 /nfs/dbraw/zinc/97/13/01/380971301.db2.gz SXPBPJCSBBZAQQ-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO COC[C@]1(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)CC[NH2+]C1 ZINC000563882635 380993045 /nfs/dbraw/zinc/99/30/45/380993045.db2.gz COUVPQAGYKNIRX-PBHICJAKSA-N 1 3 340.468 -0.281 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000582606749 381053916 /nfs/dbraw/zinc/05/39/16/381053916.db2.gz UHMHHPHBTVVNQG-MELADBBJSA-N 1 3 327.473 -0.772 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)CO ZINC000582711626 381059554 /nfs/dbraw/zinc/05/95/54/381059554.db2.gz KMWKBJJUNQWUDP-UHFFFAOYSA-N 1 3 330.473 -0.585 20 0 EBADHO C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)N1C(=O)CCC1=O ZINC000617503972 381033926 /nfs/dbraw/zinc/03/39/26/381033926.db2.gz CQAXKZYBUFUCDZ-QWHCGFSZSA-N 1 3 326.441 -0.088 20 0 EBADHO C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)N1C(=O)CCC1=O ZINC000617503972 381033931 /nfs/dbraw/zinc/03/39/31/381033931.db2.gz CQAXKZYBUFUCDZ-QWHCGFSZSA-N 1 3 326.441 -0.088 20 0 EBADHO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000347063242 381162326 /nfs/dbraw/zinc/16/23/26/381162326.db2.gz DKSPXTGTZBBMAX-HUUCEWRRSA-N 1 3 327.473 -0.358 20 0 EBADHO COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000347063242 381162333 /nfs/dbraw/zinc/16/23/33/381162333.db2.gz DKSPXTGTZBBMAX-HUUCEWRRSA-N 1 3 327.473 -0.358 20 0 EBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000583861996 381169948 /nfs/dbraw/zinc/16/99/48/381169948.db2.gz KDLSFCIMPCEIFE-QLFBSQMISA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@H](CO)N1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231569 381189562 /nfs/dbraw/zinc/18/95/62/381189562.db2.gz NSCZRYSZWBFZFL-CABCVRRESA-N 1 3 340.468 -0.688 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000418802612 381277577 /nfs/dbraw/zinc/27/75/77/381277577.db2.gz YFDDNOFCRNSTIU-CABCVRRESA-N 1 3 328.457 -0.243 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000418881650 381331302 /nfs/dbraw/zinc/33/13/02/381331302.db2.gz XTBKAQIHDVUENY-DGCLKSJQSA-N 1 3 326.441 -0.184 20 0 EBADHO C[N@H+](CCCNC(=O)C(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000418990473 381349224 /nfs/dbraw/zinc/34/92/24/381349224.db2.gz CNYRMQUGRNOWRC-MRXNPFEDSA-N 1 3 348.447 -0.271 20 0 EBADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000418990473 381349232 /nfs/dbraw/zinc/34/92/32/381349232.db2.gz CNYRMQUGRNOWRC-MRXNPFEDSA-N 1 3 348.447 -0.271 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418955645 381349297 /nfs/dbraw/zinc/34/92/97/381349297.db2.gz YDNGYBADGAFTRG-ZBFHGGJFSA-N 1 3 348.447 -0.191 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419083946 381365099 /nfs/dbraw/zinc/36/50/99/381365099.db2.gz XTIXPMMNUAEKMB-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419167597 381390851 /nfs/dbraw/zinc/39/08/51/381390851.db2.gz IZWYSYRFQUDFRG-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419167597 381390857 /nfs/dbraw/zinc/39/08/57/381390857.db2.gz IZWYSYRFQUDFRG-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419145513 381397188 /nfs/dbraw/zinc/39/71/88/381397188.db2.gz GROXHQQSTHYBIY-AWEZNQCLSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419225157 381401941 /nfs/dbraw/zinc/40/19/41/381401941.db2.gz GPBGIVLXNANCFC-OAHLLOKOSA-N 1 3 340.468 -0.281 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419225157 381401944 /nfs/dbraw/zinc/40/19/44/381401944.db2.gz GPBGIVLXNANCFC-OAHLLOKOSA-N 1 3 340.468 -0.281 20 0 EBADHO CN1CCN(CCCNC(=O)C(=O)NCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419419063 381430942 /nfs/dbraw/zinc/43/09/42/381430942.db2.gz LQRPGWYGEMAKQW-INIZCTEOSA-N 1 3 347.463 -0.444 20 0 EBADHO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419417720 381431867 /nfs/dbraw/zinc/43/18/67/381431867.db2.gz IBPNAYSALFLSNF-MRXNPFEDSA-N 1 3 348.447 -0.281 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000419415634 381431948 /nfs/dbraw/zinc/43/19/48/381431948.db2.gz VMVBOSFMMBBCNN-CQSZACIVSA-N 1 3 326.441 -0.671 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419456374 381441191 /nfs/dbraw/zinc/44/11/91/381441191.db2.gz ZSUREPHMQUVSJP-CHWSQXEVSA-N 1 3 344.456 -0.700 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419456374 381441200 /nfs/dbraw/zinc/44/12/00/381441200.db2.gz ZSUREPHMQUVSJP-CHWSQXEVSA-N 1 3 344.456 -0.700 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419456374 381441208 /nfs/dbraw/zinc/44/12/08/381441208.db2.gz ZSUREPHMQUVSJP-CHWSQXEVSA-N 1 3 344.456 -0.700 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419452955 381442118 /nfs/dbraw/zinc/44/21/18/381442118.db2.gz QOEMHNGBCMXZFO-ZIAGYGMSSA-N 1 3 328.457 -0.486 20 0 EBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419488051 381446595 /nfs/dbraw/zinc/44/65/95/381446595.db2.gz ZVUNUZTVOXUBRK-HUUCEWRRSA-N 1 3 342.484 -0.360 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633689 381471304 /nfs/dbraw/zinc/47/13/04/381471304.db2.gz ZJDJIBQYUXOFAQ-OBJOEFQTSA-N 1 3 338.452 -0.018 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000419633689 381471307 /nfs/dbraw/zinc/47/13/07/381471307.db2.gz ZJDJIBQYUXOFAQ-OBJOEFQTSA-N 1 3 338.452 -0.018 20 0 EBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419688863 381473628 /nfs/dbraw/zinc/47/36/28/381473628.db2.gz BHBLXDAHOIXOCM-AWEZNQCLSA-N 1 3 328.457 -0.607 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419678492 381480704 /nfs/dbraw/zinc/48/07/04/381480704.db2.gz OFDFKHXVNFQUKG-KGLIPLIRSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419681731 381482804 /nfs/dbraw/zinc/48/28/04/381482804.db2.gz SCXIQYTZPVODMU-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000419590689 381459874 /nfs/dbraw/zinc/45/98/74/381459874.db2.gz UNQYEQMHZDVKLK-IUODEOHRSA-N 1 3 328.482 -0.202 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419847641 381507175 /nfs/dbraw/zinc/50/71/75/381507175.db2.gz UAQGPODYWGUQJQ-ZDUSSCGKSA-N 1 3 347.419 -0.393 20 0 EBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN[C@@H](C)C2)CC1 ZINC000419813489 381497532 /nfs/dbraw/zinc/49/75/32/381497532.db2.gz HDHBSCRUHRCCII-CABCVRRESA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000420029956 381532598 /nfs/dbraw/zinc/53/25/98/381532598.db2.gz FYLVFRBLBBVBJT-AVGNSLFASA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H](CN)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420031331 381533103 /nfs/dbraw/zinc/53/31/03/381533103.db2.gz RRIBFJRNMTUREJ-RRFJBIMHSA-N 1 3 339.484 -0.533 20 0 EBADHO COCCNCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420182384 381564550 /nfs/dbraw/zinc/56/45/50/381564550.db2.gz JPVJZMOHANPJPV-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO COCCNCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420182384 381564559 /nfs/dbraw/zinc/56/45/59/381564559.db2.gz JPVJZMOHANPJPV-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000420185314 381564748 /nfs/dbraw/zinc/56/47/48/381564748.db2.gz PCWBURGVNZWSNR-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420193572 381566394 /nfs/dbraw/zinc/56/63/94/381566394.db2.gz CPIFBZWRUGHRBG-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420194695 381566933 /nfs/dbraw/zinc/56/69/33/381566933.db2.gz SSXGKWLWJVKYJH-CQSZACIVSA-N 1 3 328.457 -0.473 20 0 EBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643482846 381608635 /nfs/dbraw/zinc/60/86/35/381608635.db2.gz CQWHGBXHEQUFAO-KGLIPLIRSA-N 1 3 328.457 -0.393 20 0 EBADHO CN(C)C1(CN(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)CCC1 ZINC000627453819 381766586 /nfs/dbraw/zinc/76/65/86/381766586.db2.gz YPBMISCWURGDJR-UHFFFAOYSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612879049 381875713 /nfs/dbraw/zinc/87/57/13/381875713.db2.gz RRIXIMMVIWKSMT-INIZCTEOSA-N 1 3 325.457 -0.020 20 0 EBADHO C[NH2+]CCNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916225 381877132 /nfs/dbraw/zinc/87/71/32/381877132.db2.gz XLEQHNRGNCNWQA-ZDUSSCGKSA-N 1 3 335.456 -0.072 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000627460692 381878877 /nfs/dbraw/zinc/87/88/77/381878877.db2.gz RNTXFMDIPXHXLN-UONOGXRCSA-N 1 3 327.473 -0.805 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCO1 ZINC000643500654 381909153 /nfs/dbraw/zinc/90/91/53/381909153.db2.gz SBJRCLFVOGKOEO-KBPBESRZSA-N 1 3 340.468 -0.106 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354730736 285335117 /nfs/dbraw/zinc/33/51/17/285335117.db2.gz APSVNNCRZPZLQB-HUUCEWRRSA-N 1 3 339.484 -0.613 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCSC1 ZINC000331406191 155367581 /nfs/dbraw/zinc/36/75/81/155367581.db2.gz BDCPMGAOOSPNMK-WWGRRREGSA-N 1 3 340.493 -0.392 20 0 EBADHO CN1CCC(CNC(=O)CNC(=O)CN)([NH+]2CCCCC2)CC1 ZINC000262329089 154224851 /nfs/dbraw/zinc/22/48/51/154224851.db2.gz AOHWVSAFLDTMLG-UHFFFAOYSA-N 1 3 325.457 -0.872 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)CC1 ZINC000356925585 157104586 /nfs/dbraw/zinc/10/45/86/157104586.db2.gz URVLMCBVAVGYSH-CVEARBPZSA-N 1 3 326.485 -0.073 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000357577244 157155162 /nfs/dbraw/zinc/15/51/62/157155162.db2.gz LYMPUVGRAPFEPW-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000357572703 157156189 /nfs/dbraw/zinc/15/61/89/157156189.db2.gz GGEDPIRJKADVBF-HIFRSBDPSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000357572703 157156191 /nfs/dbraw/zinc/15/61/91/157156191.db2.gz GGEDPIRJKADVBF-HIFRSBDPSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000357572704 157156477 /nfs/dbraw/zinc/15/64/77/157156477.db2.gz GGEDPIRJKADVBF-UKRRQHHQSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000357572704 157156481 /nfs/dbraw/zinc/15/64/81/157156481.db2.gz GGEDPIRJKADVBF-UKRRQHHQSA-N 1 3 340.468 -0.330 20 0 EBADHO CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@H](C[NH3+])C1 ZINC000359210008 157302133 /nfs/dbraw/zinc/30/21/33/157302133.db2.gz IOXIVYWQWJULHP-HZSPNIEDSA-N 1 3 326.441 -0.639 20 0 EBADHO CN(CCOCC[N@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000359570485 157333046 /nfs/dbraw/zinc/33/30/46/157333046.db2.gz IJRPQHUREDUBGT-HZPDHXFCSA-N 1 3 332.441 -0.831 20 0 EBADHO CN(CCOCC[N@@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000359570485 157333052 /nfs/dbraw/zinc/33/30/52/157333052.db2.gz IJRPQHUREDUBGT-HZPDHXFCSA-N 1 3 332.441 -0.831 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000360274652 157370511 /nfs/dbraw/zinc/37/05/11/157370511.db2.gz ZERQOKLHLHEWSL-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000360274652 157370515 /nfs/dbraw/zinc/37/05/15/157370515.db2.gz ZERQOKLHLHEWSL-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000410500204 419035771 /nfs/dbraw/zinc/03/57/71/419035771.db2.gz AINURCHWMCRFRV-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000665760299 419009851 /nfs/dbraw/zinc/00/98/51/419009851.db2.gz FPNJQLYBRCGQEL-HOCLYGCPSA-N 1 3 329.489 -0.376 20 0 EBADHO CN(CCN1CCCS1(=O)=O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647552599 419113895 /nfs/dbraw/zinc/11/38/95/419113895.db2.gz KHNCEYINMKWRCM-ZDUSSCGKSA-N 1 3 332.470 -0.849 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000647594194 419120567 /nfs/dbraw/zinc/12/05/67/419120567.db2.gz PIPXCAFZNAIKGK-BFHYXJOUSA-N 1 3 339.484 -0.487 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647594777 419122670 /nfs/dbraw/zinc/12/26/70/419122670.db2.gz MNVNCCDPVDQNOO-HUUCEWRRSA-N 1 3 341.500 -0.238 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652670584 419247861 /nfs/dbraw/zinc/24/78/61/419247861.db2.gz XMCWSCVHTDSLSD-UHFFFAOYSA-N 1 3 340.468 -0.281 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000652623298 419241395 /nfs/dbraw/zinc/24/13/95/419241395.db2.gz FTQZSBZRKAZPQM-KRWDZBQOSA-N 1 3 348.451 -0.015 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729531 419324678 /nfs/dbraw/zinc/32/46/78/419324678.db2.gz JNVZJZIWMJYNTP-APIJFGDWSA-N 1 3 340.468 -0.393 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000340418329 419356755 /nfs/dbraw/zinc/35/67/55/419356755.db2.gz AJPYFDDTJNXBOK-DOMZBBRYSA-N 1 3 330.498 -0.004 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340805272 419380651 /nfs/dbraw/zinc/38/06/51/419380651.db2.gz UTKABLYTPYDACL-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340805272 419380656 /nfs/dbraw/zinc/38/06/56/419380656.db2.gz UTKABLYTPYDACL-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC000659740642 419803677 /nfs/dbraw/zinc/80/36/77/419803677.db2.gz JHJOIPGPRSYMPI-RRFJBIMHSA-N 1 3 340.468 -0.202 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420013022 419832870 /nfs/dbraw/zinc/83/28/70/419832870.db2.gz BMLOWXMPECIBMW-ZIAGYGMSSA-N 1 3 328.457 -0.343 20 0 EBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420051062 419836552 /nfs/dbraw/zinc/83/65/52/419836552.db2.gz ZXCVDZSWKRULLB-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423125867 419919548 /nfs/dbraw/zinc/91/95/48/419919548.db2.gz IFWVNCVMGKDBHF-OAHLLOKOSA-N 1 3 342.484 -0.001 20 0 EBADHO C[NH2+]CC1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)CC1 ZINC000423263248 419928101 /nfs/dbraw/zinc/92/81/01/419928101.db2.gz OIKGYLDVBHLMAH-UHFFFAOYSA-N 1 3 328.457 -0.519 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000423214531 419926791 /nfs/dbraw/zinc/92/67/91/419926791.db2.gz PBSUDXVWRRMMRU-HZSPNIEDSA-N 1 3 326.441 -0.639 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423260354 419927328 /nfs/dbraw/zinc/92/73/28/419927328.db2.gz HDIAAQVVEWEQSA-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673288 419986617 /nfs/dbraw/zinc/98/66/17/419986617.db2.gz SXHFYXULKWZPJL-CABCVRRESA-N 1 3 335.452 -0.043 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167213802 420527951 /nfs/dbraw/zinc/52/79/51/420527951.db2.gz NXUALJUOZZXIOA-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(N)nc(N(C)C)n1 ZINC000617507655 420634297 /nfs/dbraw/zinc/63/42/97/420634297.db2.gz DUUGBMRVDHZCDG-NSHDSACASA-N 1 3 338.460 -0.478 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(N)nc(N(C)C)n1 ZINC000617507655 420634301 /nfs/dbraw/zinc/63/43/01/420634301.db2.gz DUUGBMRVDHZCDG-NSHDSACASA-N 1 3 338.460 -0.478 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803701 420695055 /nfs/dbraw/zinc/69/50/55/420695055.db2.gz DJOBKTWGURYLEL-USBNGQNGSA-N 1 3 349.439 -0.315 20 0 EBADHO CC[N@H+](CCO)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000187328467 420708155 /nfs/dbraw/zinc/70/81/55/420708155.db2.gz IFIDQTQSQUWLPL-OAHLLOKOSA-N 1 3 329.489 -0.517 20 0 EBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000187328467 420708161 /nfs/dbraw/zinc/70/81/61/420708161.db2.gz IFIDQTQSQUWLPL-OAHLLOKOSA-N 1 3 329.489 -0.517 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000649318758 420800331 /nfs/dbraw/zinc/80/03/31/420800331.db2.gz IWRGLVVEXBHGRF-HNNXBMFYSA-N 1 3 340.468 -0.057 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649352782 420804583 /nfs/dbraw/zinc/80/45/83/420804583.db2.gz KFXKLFZPUHEEHI-ZBFHGGJFSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000649352782 420804587 /nfs/dbraw/zinc/80/45/87/420804587.db2.gz KFXKLFZPUHEEHI-ZBFHGGJFSA-N 1 3 339.484 -0.676 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656325286 420889163 /nfs/dbraw/zinc/88/91/63/420889163.db2.gz NXCIQJIZOWQHBR-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658458451 420956243 /nfs/dbraw/zinc/95/62/43/420956243.db2.gz ZXUQMAGZBXHZDV-CQSZACIVSA-N 1 3 328.457 -0.424 20 0 EBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659712643 421018398 /nfs/dbraw/zinc/01/83/98/421018398.db2.gz AKOSIZHZQSPGDB-INIZCTEOSA-N 1 3 345.447 -0.112 20 0 EBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659713910 421020034 /nfs/dbraw/zinc/02/00/34/421020034.db2.gz LBPXQVYNUAIEHI-CYBMUJFWSA-N 1 3 333.436 -0.127 20 0 EBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659739373 421026274 /nfs/dbraw/zinc/02/62/74/421026274.db2.gz RVDISRUAQMVCEO-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662660037 421095572 /nfs/dbraw/zinc/09/55/72/421095572.db2.gz SCTZQKOQDJKPKF-GFCCVEGCSA-N 1 3 336.440 -0.421 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662716752 421096565 /nfs/dbraw/zinc/09/65/65/421096565.db2.gz WIXRDHJDOKQOTJ-ZIAGYGMSSA-N 1 3 326.441 -0.637 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC000664537301 421158781 /nfs/dbraw/zinc/15/87/81/421158781.db2.gz JZKREXWUTLQKDS-GJZGRUSLSA-N 1 3 327.473 -0.671 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000358859296 421192935 /nfs/dbraw/zinc/19/29/35/421192935.db2.gz WNXIQULAXVDZSD-ZDUSSCGKSA-N 1 3 336.440 -0.207 20 0 EBADHO CN(C)CCn1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000424161957 421195220 /nfs/dbraw/zinc/19/52/20/421195220.db2.gz WKQOJBWRQADXST-GFCCVEGCSA-N 1 3 332.412 0.213 20 0 EBADHO Cc1cc(NC(=O)CC[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)no1 ZINC000573834287 421247738 /nfs/dbraw/zinc/24/77/38/421247738.db2.gz WPHVTUCHYICBGC-CYBMUJFWSA-N 1 3 337.424 0.489 20 0 EBADHO Cc1cc(NC(=O)CCNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)no1 ZINC000573834287 421247743 /nfs/dbraw/zinc/24/77/43/421247743.db2.gz WPHVTUCHYICBGC-CYBMUJFWSA-N 1 3 337.424 0.489 20 0 EBADHO Cc1cc(NC(=O)CCNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)no1 ZINC000573834287 421247747 /nfs/dbraw/zinc/24/77/47/421247747.db2.gz WPHVTUCHYICBGC-CYBMUJFWSA-N 1 3 337.424 0.489 20 0 EBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419404791 264864806 /nfs/dbraw/zinc/86/48/06/264864806.db2.gz GSXFDPWBTIIMMP-KFWWJZLASA-N 1 3 340.468 -0.425 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423376653 265001079 /nfs/dbraw/zinc/00/10/79/265001079.db2.gz JOLKLGFLLIEEQX-ZDUSSCGKSA-N 1 3 347.419 -0.312 20 0 EBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000423378399 265001174 /nfs/dbraw/zinc/00/11/74/265001174.db2.gz KZGFETHHBKVZKO-UHFFFAOYSA-N 1 3 335.408 -0.583 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423752824 265042776 /nfs/dbraw/zinc/04/27/76/265042776.db2.gz WSFPIIFGOOPIPQ-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000430895036 265156826 /nfs/dbraw/zinc/15/68/26/265156826.db2.gz RNIRJWKMRILAED-KBPBESRZSA-N 1 3 326.441 -0.541 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000430895036 265156831 /nfs/dbraw/zinc/15/68/31/265156831.db2.gz RNIRJWKMRILAED-KBPBESRZSA-N 1 3 326.441 -0.541 20 0 EBADHO Cn1c2ncn(CCN3CCC4(CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000431020078 265159178 /nfs/dbraw/zinc/15/91/78/265159178.db2.gz WICYICSTBKLUTN-UHFFFAOYSA-N 1 3 346.435 -0.491 20 0 EBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189274 272824068 /nfs/dbraw/zinc/82/40/68/272824068.db2.gz NYVVMWNZJSZQTQ-ZNMIVQPWSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@H]1N(C)C ZINC000344632166 278633346 /nfs/dbraw/zinc/63/33/46/278633346.db2.gz QURUFSNGDHWNMZ-UKRRQHHQSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000332008082 289196345 /nfs/dbraw/zinc/19/63/45/289196345.db2.gz CXNBMLCYMWIOHT-ILXRZTDVSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000332008082 289196347 /nfs/dbraw/zinc/19/63/47/289196347.db2.gz CXNBMLCYMWIOHT-ILXRZTDVSA-N 1 3 338.452 -0.482 20 0 EBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668672401 545732438 /nfs/dbraw/zinc/73/24/38/545732438.db2.gz PHITVWIKOMRZCF-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCSC1 ZINC000673496877 546141708 /nfs/dbraw/zinc/14/17/08/546141708.db2.gz FWQTZHBYEXTJAH-CYBMUJFWSA-N 1 3 330.498 -0.193 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682314623 546328577 /nfs/dbraw/zinc/32/85/77/546328577.db2.gz ZFLUIRDDVTUWIM-UHFFFAOYSA-N 1 3 336.440 -0.064 20 0 EBADHO CN(CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891547048 582557823 /nfs/dbraw/zinc/55/78/23/582557823.db2.gz WFUKARKMVPJIAB-MJBXVCDLSA-N 1 3 337.424 -0.343 20 0 EBADHO CN(C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768152 582587303 /nfs/dbraw/zinc/58/73/03/582587303.db2.gz HVEINMQWLAZGQB-ZFWWWQNUSA-N 1 3 328.457 -0.243 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000892819889 582588119 /nfs/dbraw/zinc/58/81/19/582588119.db2.gz TUGFXBKAIPMUGO-JKSUJKDBSA-N 1 3 339.484 -0.262 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000892819889 582588122 /nfs/dbraw/zinc/58/81/22/582588122.db2.gz TUGFXBKAIPMUGO-JKSUJKDBSA-N 1 3 339.484 -0.262 20 0 EBADHO C[NH+](C)CCOCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894367246 582629387 /nfs/dbraw/zinc/62/93/87/582629387.db2.gz RLTQLQTZHXYKRC-LSDHHAIUSA-N 1 3 328.457 -0.195 20 0 EBADHO CCN1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000897420024 582685644 /nfs/dbraw/zinc/68/56/44/582685644.db2.gz JQCCTYHPIUIREP-HNNXBMFYSA-N 1 3 339.484 -0.661 20 0 EBADHO C[C@H]1CC[N@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000897466179 582690102 /nfs/dbraw/zinc/69/01/02/582690102.db2.gz PNGIVNKESDDBDJ-AWEZNQCLSA-N 1 3 327.473 -0.010 20 0 EBADHO C[C@H]1CC[N@@H+](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000897466179 582690103 /nfs/dbraw/zinc/69/01/03/582690103.db2.gz PNGIVNKESDDBDJ-AWEZNQCLSA-N 1 3 327.473 -0.010 20 0 EBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@H](O)CN2C)CC1 ZINC000900696070 582777767 /nfs/dbraw/zinc/77/77/67/582777767.db2.gz YBJZPSLUNRQYRQ-DOTOQJQBSA-N 1 3 326.485 -0.169 20 0 EBADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000900696070 582777769 /nfs/dbraw/zinc/77/77/69/582777769.db2.gz YBJZPSLUNRQYRQ-DOTOQJQBSA-N 1 3 326.485 -0.169 20 0 EBADHO C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000900693411 582779213 /nfs/dbraw/zinc/77/92/13/582779213.db2.gz RPWHABJRXOJIMQ-RDJZCZTQSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000900693411 582779216 /nfs/dbraw/zinc/77/92/16/582779216.db2.gz RPWHABJRXOJIMQ-RDJZCZTQSA-N 1 3 326.485 -0.167 20 0 EBADHO CN(C)S(=O)(=O)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506467 582809285 /nfs/dbraw/zinc/80/92/85/582809285.db2.gz VNHYHSYEGIUKQC-GASCZTMLSA-N 1 3 330.498 -0.222 20 0 EBADHO CN(C)S(=O)(=O)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506467 582809287 /nfs/dbraw/zinc/80/92/87/582809287.db2.gz VNHYHSYEGIUKQC-GASCZTMLSA-N 1 3 330.498 -0.222 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903731446 582814677 /nfs/dbraw/zinc/81/46/77/582814677.db2.gz GLNWWLAJLCHSFC-KGLIPLIRSA-N 1 3 340.468 -0.249 20 0 EBADHO CC1(C)CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@@H]1[NH3+] ZINC000903715657 582815361 /nfs/dbraw/zinc/81/53/61/582815361.db2.gz YROQTQWZYOKHCT-AWEZNQCLSA-N 1 3 331.420 -0.074 20 0 EBADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903744163 582816631 /nfs/dbraw/zinc/81/66/31/582816631.db2.gz YLRNDNPTNVXXBO-CQSZACIVSA-N 1 3 340.468 -0.513 20 0 EBADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CC1 ZINC000903744163 582816633 /nfs/dbraw/zinc/81/66/33/582816633.db2.gz YLRNDNPTNVXXBO-CQSZACIVSA-N 1 3 340.468 -0.513 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](N)C(C)(C)C2)CCO1 ZINC000903772977 582818549 /nfs/dbraw/zinc/81/85/49/582818549.db2.gz YZCYFWFEKZGDEH-UONOGXRCSA-N 1 3 340.468 -0.249 20 0 EBADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000838301523 583053532 /nfs/dbraw/zinc/05/35/32/583053532.db2.gz FCRAQDKWBBFHNP-HRCADAONSA-N 1 3 340.468 -0.004 20 0 EBADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000838301523 583053535 /nfs/dbraw/zinc/05/35/35/583053535.db2.gz FCRAQDKWBBFHNP-HRCADAONSA-N 1 3 340.468 -0.004 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000803203245 583628314 /nfs/dbraw/zinc/62/83/14/583628314.db2.gz BWLCNVADSWDGTL-RDBSUJKOSA-N 1 3 326.441 -0.578 20 0 EBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804051656 583637263 /nfs/dbraw/zinc/63/72/63/583637263.db2.gz ASLZOAILRSKUBC-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804057244 583639964 /nfs/dbraw/zinc/63/99/64/583639964.db2.gz OKLMLJDQISSELJ-QLFBSQMISA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817955344 583731399 /nfs/dbraw/zinc/73/13/99/583731399.db2.gz WBPCIWWEWWMKMA-QGZVFWFLSA-N 1 3 339.484 -0.707 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COC2(CCC2)C1 ZINC000830079752 583963241 /nfs/dbraw/zinc/96/32/41/583963241.db2.gz QOIQPBUDQSFEPI-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842165542 584058889 /nfs/dbraw/zinc/05/88/89/584058889.db2.gz ZBOANASRNDLQFF-YJNKXOJESA-N 1 3 338.452 -0.306 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1C[NH3+] ZINC000842165376 584058903 /nfs/dbraw/zinc/05/89/03/584058903.db2.gz VMGAGAHDCAFHOU-LXTVHRRPSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000842165374 584059031 /nfs/dbraw/zinc/05/90/31/584059031.db2.gz VMGAGAHDCAFHOU-KBUPBQIOSA-N 1 3 338.452 -0.591 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000851684721 584198439 /nfs/dbraw/zinc/19/84/39/584198439.db2.gz KDEMITQQGHHCJQ-CQSZACIVSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000854052347 584234631 /nfs/dbraw/zinc/23/46/31/584234631.db2.gz WSWLZYHWYWPRRN-NWDGAFQWSA-N 1 3 342.444 -0.812 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000854052347 584234633 /nfs/dbraw/zinc/23/46/33/584234633.db2.gz WSWLZYHWYWPRRN-NWDGAFQWSA-N 1 3 342.444 -0.812 20 0 EBADHO C[C@@H](CN(C)C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861631400 584332189 /nfs/dbraw/zinc/33/21/89/584332189.db2.gz CLJFEMJXUWMOTG-YUTCNCBUSA-N 1 3 339.440 -0.097 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861773275 584338472 /nfs/dbraw/zinc/33/84/72/584338472.db2.gz KNDHMKHTMUIENZ-UONOGXRCSA-N 1 3 327.473 -0.818 20 0 EBADHO CN1CCC[C@H]1CNC(=O)CC(O)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000863503384 584371774 /nfs/dbraw/zinc/37/17/74/584371774.db2.gz HRWFWLDCXHMXSE-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO CN1CCC[C@H]1CNC(=O)CC(O)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000863503384 584371775 /nfs/dbraw/zinc/37/17/75/584371775.db2.gz HRWFWLDCXHMXSE-KBPBESRZSA-N 1 3 340.468 -0.452 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CCO1 ZINC000868407580 584428564 /nfs/dbraw/zinc/42/85/64/584428564.db2.gz XWSAATKIIMANAF-QWHCGFSZSA-N 1 3 326.441 -0.496 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CCO1 ZINC000868407578 584428603 /nfs/dbraw/zinc/42/86/03/584428603.db2.gz XWSAATKIIMANAF-CHWSQXEVSA-N 1 3 326.441 -0.496 20 0 EBADHO O=C(C[C@H]1CSCCN1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999816 584450778 /nfs/dbraw/zinc/45/07/78/584450778.db2.gz PYHGTNMDDNCGPN-RVMXOQNASA-N 1 3 340.449 -0.525 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000872855227 584468230 /nfs/dbraw/zinc/46/82/30/584468230.db2.gz JPCDGSJIUIMAQK-CQSZACIVSA-N 1 3 342.484 -0.442 20 0 EBADHO C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875285786 584496002 /nfs/dbraw/zinc/49/60/02/584496002.db2.gz VPPBWDQHFDSCPL-MGPQQGTHSA-N 1 3 348.513 -0.200 20 0 EBADHO Cn1ncc(C[NH3+])c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752809 584522422 /nfs/dbraw/zinc/52/24/22/584522422.db2.gz ZWUOHJVAKHWFHL-UHFFFAOYSA-N 1 3 334.424 -0.741 20 0 EBADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876979787 584527800 /nfs/dbraw/zinc/52/78/00/584527800.db2.gz ACLFQKGRQNDWBT-KBPBESRZSA-N 1 3 349.483 -0.586 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1c1ccncc1 ZINC000883641987 584604021 /nfs/dbraw/zinc/60/40/21/584604021.db2.gz ALZJCIAJICLZMW-YDHLFZDLSA-N 1 3 329.404 -0.309 20 0 EBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000884516889 584625556 /nfs/dbraw/zinc/62/55/56/584625556.db2.gz XKWRAGJYEPNXRI-CABCVRRESA-N 1 3 338.452 -0.304 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884587815 584629060 /nfs/dbraw/zinc/62/90/60/584629060.db2.gz RBVMLDPYTHYTQV-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884637508 584630729 /nfs/dbraw/zinc/63/07/29/584630729.db2.gz QPAVNZXQEBTFSZ-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884662280 584632319 /nfs/dbraw/zinc/63/23/19/584632319.db2.gz MFFDLCDAHOAULX-CYBMUJFWSA-N 1 3 328.457 -0.425 20 0 EBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884726449 584636676 /nfs/dbraw/zinc/63/66/76/584636676.db2.gz SNVBQBHHBSQBOO-AWEZNQCLSA-N 1 3 338.452 -0.432 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000887091786 584676234 /nfs/dbraw/zinc/67/62/34/584676234.db2.gz WGCFFQBMFOUYPO-UMVBOHGHSA-N 1 3 331.420 -0.076 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091859 584676344 /nfs/dbraw/zinc/67/63/44/584676344.db2.gz ZCYWJBKCBYLCOG-ZIAGYGMSSA-N 1 3 331.420 -0.061 20 0 EBADHO CCN1CCC(NC(=O)Cn2cc(CN3CCC[C@@H]([NH3+])C3)nn2)CC1 ZINC000887436658 584678277 /nfs/dbraw/zinc/67/82/77/584678277.db2.gz TZGAKCYZCZPKDU-CQSZACIVSA-N 1 3 349.483 -0.198 20 0 EBADHO COCCN(C)C[C@@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451421 584678542 /nfs/dbraw/zinc/67/85/42/584678542.db2.gz MVCKSSKGFWNXHY-UKRRQHHQSA-N 1 3 326.445 -0.860 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000888042000 584684359 /nfs/dbraw/zinc/68/43/59/584684359.db2.gz OTUVVZOROJPHCM-CRWXNKLISA-N 1 3 328.457 -0.333 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000888042000 584684361 /nfs/dbraw/zinc/68/43/61/584684361.db2.gz OTUVVZOROJPHCM-CRWXNKLISA-N 1 3 328.457 -0.333 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000888042005 584684436 /nfs/dbraw/zinc/68/44/36/584684436.db2.gz OTUVVZOROJPHCM-XJFOESAGSA-N 1 3 328.457 -0.333 20 0 EBADHO CC[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000888042005 584684438 /nfs/dbraw/zinc/68/44/38/584684438.db2.gz OTUVVZOROJPHCM-XJFOESAGSA-N 1 3 328.457 -0.333 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000888042002 584684449 /nfs/dbraw/zinc/68/44/49/584684449.db2.gz OTUVVZOROJPHCM-KPWCQOOUSA-N 1 3 328.457 -0.333 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000888042002 584684451 /nfs/dbraw/zinc/68/44/51/584684451.db2.gz OTUVVZOROJPHCM-KPWCQOOUSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)N1CCCCC1 ZINC000910946452 650141545 /nfs/dbraw/zinc/14/15/45/650141545.db2.gz MCWIQFYMVRNICU-XJKSGUPXSA-N 1 3 326.441 -0.711 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911161254 650155888 /nfs/dbraw/zinc/15/58/88/650155888.db2.gz JOTJEHMNJNSENA-CZUORRHYSA-N 1 3 326.441 -0.853 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911163846 650156423 /nfs/dbraw/zinc/15/64/23/650156423.db2.gz ZWQSQHYIGGGNJU-XJKSGUPXSA-N 1 3 326.441 -0.711 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCSC1 ZINC000911200584 650159000 /nfs/dbraw/zinc/15/90/00/650159000.db2.gz QBMREAJDFWNNPO-YFCNSXCBSA-N 1 3 326.466 -0.451 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000911197808 650159051 /nfs/dbraw/zinc/15/90/51/650159051.db2.gz CJRHRSVHZQEWEQ-XJKCOSOUSA-N 1 3 342.509 -0.098 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCSC1 ZINC000911198533 650159141 /nfs/dbraw/zinc/15/91/41/650159141.db2.gz HALQREFAGWUJCI-IAQYHMDHSA-N 1 3 328.482 -0.264 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CCSC1 ZINC000911199072 650159147 /nfs/dbraw/zinc/15/91/47/650159147.db2.gz JUSQNYYIXYYRRM-VBNZEHGJSA-N 1 3 340.493 -0.120 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C[NH+](C)C ZINC000911298817 650167753 /nfs/dbraw/zinc/16/77/53/650167753.db2.gz XGJMGZXRTHPCOH-JHJVBQTASA-N 1 3 344.456 -0.702 20 0 EBADHO CC1(C)CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000911336406 650172273 /nfs/dbraw/zinc/17/22/73/650172273.db2.gz IFQDBSQFMCAZHX-ZIAGYGMSSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000911379282 650177218 /nfs/dbraw/zinc/17/72/18/650177218.db2.gz COWZJTBGOKHXOK-QLFBSQMISA-N 1 3 340.468 -0.473 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911541002 650192264 /nfs/dbraw/zinc/19/22/64/650192264.db2.gz DGGGULZXJKHJDG-BYNSBNAKSA-N 1 3 338.452 -0.435 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556504 650193587 /nfs/dbraw/zinc/19/35/87/650193587.db2.gz KVVLADQFLDYGIT-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000923281865 650337595 /nfs/dbraw/zinc/33/75/95/650337595.db2.gz IFPGRJRXSMLKEC-CVEARBPZSA-N 1 3 342.484 -0.931 20 0 EBADHO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000923281865 650337597 /nfs/dbraw/zinc/33/75/97/650337597.db2.gz IFPGRJRXSMLKEC-CVEARBPZSA-N 1 3 342.484 -0.931 20 0 EBADHO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000923281867 650337788 /nfs/dbraw/zinc/33/77/88/650337788.db2.gz IFPGRJRXSMLKEC-HZPDHXFCSA-N 1 3 342.484 -0.931 20 0 EBADHO COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000923281867 650337789 /nfs/dbraw/zinc/33/77/89/650337789.db2.gz IFPGRJRXSMLKEC-HZPDHXFCSA-N 1 3 342.484 -0.931 20 0 EBADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)C1 ZINC000923422985 650339467 /nfs/dbraw/zinc/33/94/67/650339467.db2.gz YIORNOVLIRSJER-UKRFAEJPSA-N 1 3 325.453 -0.031 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923601265 650346065 /nfs/dbraw/zinc/34/60/65/650346065.db2.gz NAWOYUMBASEMCH-OKILXGFUSA-N 1 3 330.498 -0.222 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923601265 650346067 /nfs/dbraw/zinc/34/60/67/650346067.db2.gz NAWOYUMBASEMCH-OKILXGFUSA-N 1 3 330.498 -0.222 20 0 EBADHO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)N1CCNCC1 ZINC000923606933 650346745 /nfs/dbraw/zinc/34/67/45/650346745.db2.gz SRMZYEXFWPSJMV-UHFFFAOYSA-N 1 3 332.470 -0.629 20 0 EBADHO CN(C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924562443 650364798 /nfs/dbraw/zinc/36/47/98/650364798.db2.gz ZESIUZZYEQZTCY-VXGBXAGGSA-N 1 3 325.413 -0.944 20 0 EBADHO CN(C)C[C@H]1NC(=O)N(CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924562443 650364801 /nfs/dbraw/zinc/36/48/01/650364801.db2.gz ZESIUZZYEQZTCY-VXGBXAGGSA-N 1 3 325.413 -0.944 20 0 EBADHO c1cnc(N2CCN(CCCC[NH2+][C@@H]3CNCCOC3)CC2)nc1 ZINC000925493758 650379292 /nfs/dbraw/zinc/37/92/92/650379292.db2.gz YYJLZNSMWLNFKU-MRXNPFEDSA-N 1 3 334.468 -0.043 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926362113 650389295 /nfs/dbraw/zinc/38/92/95/650389295.db2.gz VINKGFFQYURGQB-JKIFEVAISA-N 1 3 338.452 -0.616 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000946921118 653265802 /nfs/dbraw/zinc/26/58/02/653265802.db2.gz BJCGGFRTIZFGLI-MGPQQGTHSA-N 1 3 338.452 -0.842 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000946921118 653265805 /nfs/dbraw/zinc/26/58/05/653265805.db2.gz BJCGGFRTIZFGLI-MGPQQGTHSA-N 1 3 338.452 -0.842 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000946925388 653271516 /nfs/dbraw/zinc/27/15/16/653271516.db2.gz PJIOMEQWUMINAM-KGLIPLIRSA-N 1 3 340.468 -0.596 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1 ZINC000946927383 653274067 /nfs/dbraw/zinc/27/40/67/653274067.db2.gz HSDVGPXRPGLSDQ-KBPBESRZSA-N 1 3 338.452 -0.840 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(O)(CN[C@H]3CCNC3=O)CC2)C1 ZINC000946927383 653274068 /nfs/dbraw/zinc/27/40/68/653274068.db2.gz HSDVGPXRPGLSDQ-KBPBESRZSA-N 1 3 338.452 -0.840 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946927915 653274454 /nfs/dbraw/zinc/27/44/54/653274454.db2.gz OYKAYMXFKYSWEU-UONOGXRCSA-N 1 3 338.452 -0.698 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCn3cncn3)C[C@H]2O)CC1 ZINC000958374232 722354133 /nfs/dbraw/zinc/35/41/33/722354133.db2.gz LPEPOELPWYLQCM-LSDHHAIUSA-N 1 3 336.440 -0.971 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCn3cccn3)C[C@H]2O)CC1 ZINC000958375441 722354419 /nfs/dbraw/zinc/35/44/19/722354419.db2.gz UEXRQIOQMJJZFL-JKSUJKDBSA-N 1 3 335.452 -0.366 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000958978530 722680881 /nfs/dbraw/zinc/68/08/81/722680881.db2.gz FBWVYUXRFRLZKG-KBPBESRZSA-N 1 3 347.419 -0.922 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918961 722775317 /nfs/dbraw/zinc/77/53/17/722775317.db2.gz HEGUYUCXRBCMQS-WCVJEAGWSA-N 1 3 330.436 -0.334 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001018999548 728770420 /nfs/dbraw/zinc/77/04/20/728770420.db2.gz XDSQRGGIBRTAMN-JSGCOSHPSA-N 1 3 339.440 -0.685 20 0 EBADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000962553111 723283063 /nfs/dbraw/zinc/28/30/63/723283063.db2.gz KTYAMEUUTSUIJN-CAOSSQGBSA-N 1 3 332.452 -0.107 20 0 EBADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000962553111 723283068 /nfs/dbraw/zinc/28/30/68/723283068.db2.gz KTYAMEUUTSUIJN-CAOSSQGBSA-N 1 3 332.452 -0.107 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019241621 728835554 /nfs/dbraw/zinc/83/55/54/728835554.db2.gz PBZHATLDDVEAQW-MELADBBJSA-N 1 3 329.466 -0.294 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000964214105 723885009 /nfs/dbraw/zinc/88/50/09/723885009.db2.gz SPWKYCVULQBBIA-VHDGCEQUSA-N 1 3 349.435 -0.364 20 0 EBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000964214105 723885012 /nfs/dbraw/zinc/88/50/12/723885012.db2.gz SPWKYCVULQBBIA-VHDGCEQUSA-N 1 3 349.435 -0.364 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)N(C)C ZINC001019397246 728878591 /nfs/dbraw/zinc/87/85/91/728878591.db2.gz PVOFMAQPVOVLNZ-KBPBESRZSA-N 1 3 346.497 -0.447 20 0 EBADHO CC1(C)NC(=O)N(CC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001019437655 728882930 /nfs/dbraw/zinc/88/29/30/728882930.db2.gz UZKVCKNIBFINBC-NSHDSACASA-N 1 3 348.407 -0.527 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019560337 728922063 /nfs/dbraw/zinc/92/20/63/728922063.db2.gz BAVNGZITKNFKMB-UONOGXRCSA-N 1 3 336.436 -0.286 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)n1 ZINC000968719330 725109282 /nfs/dbraw/zinc/10/92/82/725109282.db2.gz QSWMHSLUIAKHPD-KGLIPLIRSA-N 1 3 348.451 -0.473 20 0 EBADHO CC[C@H](N[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000968719169 725109391 /nfs/dbraw/zinc/10/93/91/725109391.db2.gz KVENLBGEMHRRCP-OLZOCXBDSA-N 1 3 336.440 -0.487 20 0 EBADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000969100130 725151694 /nfs/dbraw/zinc/15/16/94/725151694.db2.gz YDLCYILXPHVKMW-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO CN(CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001051654967 735296216 /nfs/dbraw/zinc/29/62/16/735296216.db2.gz BKCQOOWFSDIAON-CABCVRRESA-N 1 3 338.452 -0.482 20 0 EBADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000976533469 726337362 /nfs/dbraw/zinc/33/73/62/726337362.db2.gz QTNJTFLCSSDYHK-MKVSYHDVSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000976533469 726337365 /nfs/dbraw/zinc/33/73/65/726337365.db2.gz QTNJTFLCSSDYHK-MKVSYHDVSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000976544928 726342690 /nfs/dbraw/zinc/34/26/90/726342690.db2.gz JDUTZTFEYYYUFU-NPCUJANDSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000976544928 726342694 /nfs/dbraw/zinc/34/26/94/726342694.db2.gz JDUTZTFEYYYUFU-NPCUJANDSA-N 1 3 334.464 -0.147 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)C1CC1 ZINC000996676724 726421851 /nfs/dbraw/zinc/42/18/51/726421851.db2.gz HSWQWSPOIBMOKK-HNNXBMFYSA-N 1 3 337.468 -0.068 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997062437 726436935 /nfs/dbraw/zinc/43/69/35/726436935.db2.gz BTLGZSIAQCKKLC-NSWWBONSSA-N 1 3 348.447 -0.728 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997062437 726436936 /nfs/dbraw/zinc/43/69/36/726436936.db2.gz BTLGZSIAQCKKLC-NSWWBONSSA-N 1 3 348.447 -0.728 20 0 EBADHO O=C(CN1CCCC1)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000997307392 726445657 /nfs/dbraw/zinc/44/56/57/726445657.db2.gz PVQWPBNKOJIFNU-UHFFFAOYSA-N 1 3 336.436 -0.188 20 0 EBADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998550537 726490629 /nfs/dbraw/zinc/49/06/29/726490629.db2.gz MVOLZIGDYQFNTH-WXRRBKDZSA-N 1 3 337.424 -0.789 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998723892 726495958 /nfs/dbraw/zinc/49/59/58/726495958.db2.gz SMAKOOAHVPTCRL-GJZGRUSLSA-N 1 3 338.452 -0.480 20 0 EBADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352946 726515543 /nfs/dbraw/zinc/51/55/43/726515543.db2.gz LHENCBFNZYAQGQ-HIFRSBDPSA-N 1 3 338.452 -0.304 20 0 EBADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999352946 726515544 /nfs/dbraw/zinc/51/55/44/726515544.db2.gz LHENCBFNZYAQGQ-HIFRSBDPSA-N 1 3 338.452 -0.304 20 0 EBADHO O=C(NCc1cn([C@H]2CCN(CCO)C2)nn1)C12CC[NH+](CC1)C2 ZINC001000035946 726552097 /nfs/dbraw/zinc/55/20/97/726552097.db2.gz RKRJDMSRVYMEHQ-AWEZNQCLSA-N 1 3 334.424 -0.771 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000192724 726558300 /nfs/dbraw/zinc/55/83/00/726558300.db2.gz NAWJGWSSMJCKDH-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001000316635 726563681 /nfs/dbraw/zinc/56/36/81/726563681.db2.gz GKGNBSVYAROZIU-LBPRGKRZSA-N 1 3 333.392 -0.318 20 0 EBADHO C[C@@H](O)C[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000979396 726585906 /nfs/dbraw/zinc/58/59/06/726585906.db2.gz ZIADBCDYTLWTAP-ZFRYHDOHSA-N 1 3 335.448 -0.021 20 0 EBADHO C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000979396 726585907 /nfs/dbraw/zinc/58/59/07/726585907.db2.gz ZIADBCDYTLWTAP-ZFRYHDOHSA-N 1 3 335.448 -0.021 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)n[nH]1 ZINC001051800909 735404233 /nfs/dbraw/zinc/40/42/33/735404233.db2.gz GNYSHBNLJFIWDM-CQSZACIVSA-N 1 3 336.440 -0.228 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001051847999 735425960 /nfs/dbraw/zinc/42/59/60/735425960.db2.gz HJLHFTWKAUEKMQ-UKRRQHHQSA-N 1 3 349.435 -0.315 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CCO2)n[nH]1 ZINC001051902774 735455473 /nfs/dbraw/zinc/45/54/73/735455473.db2.gz LLJUAMLWBGHZAI-ZIAGYGMSSA-N 1 3 336.440 -0.228 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CCO2)n[nH]1 ZINC001051902774 735455474 /nfs/dbraw/zinc/45/54/74/735455474.db2.gz LLJUAMLWBGHZAI-ZIAGYGMSSA-N 1 3 336.440 -0.228 20 0 EBADHO Cn1cncc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904547 735456444 /nfs/dbraw/zinc/45/64/44/735456444.db2.gz QAXOKTFNVQXMOS-OAHLLOKOSA-N 1 3 333.436 -0.167 20 0 EBADHO O=C(N[C@H]1CC12CC[NH+](CCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001016740593 728500105 /nfs/dbraw/zinc/50/01/05/728500105.db2.gz KYLBDOVJLPETEM-DIODGJHASA-N 1 3 335.448 -0.187 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001020178692 729092682 /nfs/dbraw/zinc/09/26/82/729092682.db2.gz BBSBLSSICPQTKP-ZQDZILKHSA-N 1 3 334.424 -0.622 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020586206 729204860 /nfs/dbraw/zinc/20/48/60/729204860.db2.gz ICOYLTYQYHWMPW-KKUMJFAQSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001022118944 729457170 /nfs/dbraw/zinc/45/71/70/729457170.db2.gz AYIUDVDCPDKZQY-FZKCQIBNSA-N 1 3 333.436 -0.017 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001022714302 729524462 /nfs/dbraw/zinc/52/44/62/729524462.db2.gz TYTMCWJXKGPKFA-RWMBFGLXSA-N 1 3 337.424 -0.883 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001023130962 729615635 /nfs/dbraw/zinc/61/56/35/729615635.db2.gz PMFABBPYIHMMGF-RFQIPJPRSA-N 1 3 336.436 -0.097 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1O ZINC001024957225 729945658 /nfs/dbraw/zinc/94/56/58/729945658.db2.gz CLGBPEIYPVQBJX-QHSBEEBCSA-N 1 3 349.435 -0.711 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1O ZINC001024957225 729945660 /nfs/dbraw/zinc/94/56/60/729945660.db2.gz CLGBPEIYPVQBJX-QHSBEEBCSA-N 1 3 349.435 -0.711 20 0 EBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001033594942 731045503 /nfs/dbraw/zinc/04/55/03/731045503.db2.gz SVJCIOKRYYAZMK-JKSUJKDBSA-N 1 3 347.463 -0.128 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760374 731523267 /nfs/dbraw/zinc/52/32/67/731523267.db2.gz LXSXSLSJQKPJPV-YOEHRIQHSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760374 731523268 /nfs/dbraw/zinc/52/32/68/731523268.db2.gz LXSXSLSJQKPJPV-YOEHRIQHSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039785354 731533184 /nfs/dbraw/zinc/53/31/84/731533184.db2.gz IJNFNAHHZDJENE-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001040123908 731611731 /nfs/dbraw/zinc/61/17/31/731611731.db2.gz OBJYHJUXVYQWSE-DOTOQJQBSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001040900878 731910499 /nfs/dbraw/zinc/91/04/99/731910499.db2.gz BSDJVKJWTMYOQG-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001040900878 731910502 /nfs/dbraw/zinc/91/05/02/731910502.db2.gz BSDJVKJWTMYOQG-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3CCN(CCO)[C@H]3C2)n1 ZINC001042064510 732293822 /nfs/dbraw/zinc/29/38/22/732293822.db2.gz HEIWZLQXDBIFNV-HOCLYGCPSA-N 1 3 335.452 -0.027 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001043157654 732793917 /nfs/dbraw/zinc/79/39/17/732793917.db2.gz IFYZDRUWNZKLQL-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001043157654 732793919 /nfs/dbraw/zinc/79/39/19/732793919.db2.gz IFYZDRUWNZKLQL-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061605815 738646241 /nfs/dbraw/zinc/64/62/41/738646241.db2.gz ZQHQRGYJCKEZHL-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061605815 738646242 /nfs/dbraw/zinc/64/62/42/738646242.db2.gz ZQHQRGYJCKEZHL-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001043480005 732967507 /nfs/dbraw/zinc/96/75/07/732967507.db2.gz USFOFBVYYYDTEM-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001043480005 732967511 /nfs/dbraw/zinc/96/75/11/732967511.db2.gz USFOFBVYYYDTEM-HNNXBMFYSA-N 1 3 342.484 -0.396 20 0 EBADHO CN(CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001043529865 732994041 /nfs/dbraw/zinc/99/40/41/732994041.db2.gz AXCDPRARRPHXIC-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001044041116 733257914 /nfs/dbraw/zinc/25/79/14/733257914.db2.gz CMEJRYLDMXYTJG-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001044041116 733257916 /nfs/dbraw/zinc/25/79/16/733257916.db2.gz CMEJRYLDMXYTJG-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044291277 733360826 /nfs/dbraw/zinc/36/08/26/733360826.db2.gz PLOLODNMCCOASO-UONOGXRCSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044291277 733360831 /nfs/dbraw/zinc/36/08/31/733360831.db2.gz PLOLODNMCCOASO-UONOGXRCSA-N 1 3 340.468 -0.786 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001044327376 733384742 /nfs/dbraw/zinc/38/47/42/733384742.db2.gz ZEBSJSUCPFJDRA-DGCLKSJQSA-N 1 3 349.435 -0.852 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001044327376 733384746 /nfs/dbraw/zinc/38/47/46/733384746.db2.gz ZEBSJSUCPFJDRA-DGCLKSJQSA-N 1 3 349.435 -0.852 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044747996 733497151 /nfs/dbraw/zinc/49/71/51/733497151.db2.gz BASNMKKYBRAFBW-KBPBESRZSA-N 1 3 349.435 -0.220 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748001 733497405 /nfs/dbraw/zinc/49/74/05/733497405.db2.gz BASNMKKYBRAFBW-ZIAGYGMSSA-N 1 3 349.435 -0.220 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061741292 738732551 /nfs/dbraw/zinc/73/25/51/738732551.db2.gz QQJVCDWGEFEDJN-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061739913 738731836 /nfs/dbraw/zinc/73/18/36/738731836.db2.gz FSIIAYXEJUQCNS-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061739913 738731841 /nfs/dbraw/zinc/73/18/41/738731841.db2.gz FSIIAYXEJUQCNS-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001045392159 733684526 /nfs/dbraw/zinc/68/45/26/733684526.db2.gz PRHJSCNLNQTMQQ-CYBMUJFWSA-N 1 3 340.468 -0.642 20 0 EBADHO CCCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720475 733760070 /nfs/dbraw/zinc/76/00/70/733760070.db2.gz RVCRXMKYGNRPCX-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001061828028 738773007 /nfs/dbraw/zinc/77/30/07/738773007.db2.gz OKSTXMOOEVHIMW-CQSZACIVSA-N 1 3 349.435 -0.362 20 0 EBADHO C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(CC(=O)N3CCC3)C[C@H]2C1)C1CC1 ZINC001048864134 734543498 /nfs/dbraw/zinc/54/34/98/734543498.db2.gz SFXUAMWVWXIEBB-UXLLHSPISA-N 1 3 334.464 -0.051 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863797 734543621 /nfs/dbraw/zinc/54/36/21/734543621.db2.gz LIOOUWHXPWONFS-KNCOVGOOSA-N 1 3 348.447 -0.478 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863797 734543625 /nfs/dbraw/zinc/54/36/25/734543625.db2.gz LIOOUWHXPWONFS-KNCOVGOOSA-N 1 3 348.447 -0.478 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1)N(C)C ZINC001048888740 734558673 /nfs/dbraw/zinc/55/86/73/734558673.db2.gz WLUPXKAQUATMIF-YYIAUSFCSA-N 1 3 349.479 -0.026 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1)N(C)C ZINC001048888740 734558675 /nfs/dbraw/zinc/55/86/75/734558675.db2.gz WLUPXKAQUATMIF-YYIAUSFCSA-N 1 3 349.479 -0.026 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001048888919 734558726 /nfs/dbraw/zinc/55/87/26/734558726.db2.gz BCZOWUVMHUVDAK-QLFBSQMISA-N 1 3 337.468 -0.258 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001048888919 734558728 /nfs/dbraw/zinc/55/87/28/734558728.db2.gz BCZOWUVMHUVDAK-QLFBSQMISA-N 1 3 337.468 -0.258 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1)N(C)C ZINC001048888739 734558822 /nfs/dbraw/zinc/55/88/22/734558822.db2.gz WLUPXKAQUATMIF-VVLHAWIVSA-N 1 3 349.479 -0.026 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1)N(C)C ZINC001048888739 734558824 /nfs/dbraw/zinc/55/88/24/734558824.db2.gz WLUPXKAQUATMIF-VVLHAWIVSA-N 1 3 349.479 -0.026 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049149237 734662614 /nfs/dbraw/zinc/66/26/14/734662614.db2.gz CWKNTEXHTYMPNP-KBPBESRZSA-N 1 3 328.457 -0.690 20 0 EBADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049214072 734687632 /nfs/dbraw/zinc/68/76/32/734687632.db2.gz ZMHDNEDMEGNMCW-SOUVJXGZSA-N 1 3 334.464 -0.051 20 0 EBADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049214072 734687634 /nfs/dbraw/zinc/68/76/34/734687634.db2.gz ZMHDNEDMEGNMCW-SOUVJXGZSA-N 1 3 334.464 -0.051 20 0 EBADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001049428596 734727565 /nfs/dbraw/zinc/72/75/65/734727565.db2.gz LLCCITUDJBJCAK-RDBSUJKOSA-N 1 3 328.457 -0.692 20 0 EBADHO CN(C)C1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)CCC1 ZINC001049435366 734729550 /nfs/dbraw/zinc/72/95/50/734729550.db2.gz LIDKBUZLEMUSMR-KBPBESRZSA-N 1 3 340.468 -0.548 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001049436048 734729975 /nfs/dbraw/zinc/72/99/75/734729975.db2.gz YSNUSQDYRPOCFJ-OFQRWUPVSA-N 1 3 342.484 -0.446 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050598630 734931528 /nfs/dbraw/zinc/93/15/28/734931528.db2.gz NTDKYEKPAIEGCN-CSLYMUCUSA-N 1 3 335.448 -0.234 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050598631 734931545 /nfs/dbraw/zinc/93/15/45/734931545.db2.gz NTDKYEKPAIEGCN-SWKXRBFHSA-N 1 3 335.448 -0.234 20 0 EBADHO 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Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218914483 810544411 /nfs/dbraw/zinc/54/44/11/810544411.db2.gz XHJMLULHWUYNDG-LBPRGKRZSA-N 1 3 327.410 -0.818 20 0 EBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC001218956659 810548210 /nfs/dbraw/zinc/54/82/10/810548210.db2.gz IREMCESRFZRSML-GFCCVEGCSA-N 1 3 332.408 -0.256 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219028079 810557205 /nfs/dbraw/zinc/55/72/05/810557205.db2.gz ONDUHEWANUZGPD-UHFFFAOYSA-N 1 3 342.421 -0.673 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C[NH2+]1 ZINC001219582854 810759599 /nfs/dbraw/zinc/75/95/99/810759599.db2.gz LUNGXTDNRKYHGQ-AVGNSLFASA-N 1 3 334.424 -0.429 20 0 EBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643305 810784714 /nfs/dbraw/zinc/78/47/14/810784714.db2.gz OCNSFMKJJFYCHY-OAGGEKHMSA-N 1 3 325.453 -0.084 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714616 810805360 /nfs/dbraw/zinc/80/53/60/810805360.db2.gz QTFQKNLGWJAPHA-IGQOVBAYSA-N 1 3 328.457 -0.660 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744000 810820391 /nfs/dbraw/zinc/82/03/91/810820391.db2.gz QKXPKJDVUMYWQD-KGLIPLIRSA-N 1 3 340.468 -0.107 20 0 EBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ccc2c(n1)CCNC2 ZINC001219843842 810875114 /nfs/dbraw/zinc/87/51/14/810875114.db2.gz DPTAALXWLGXADW-ACJLOTCBSA-N 1 3 346.431 -0.148 20 0 EBADHO NC(=O)c1ccc(C[C@H](N)C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001219847518 810878072 /nfs/dbraw/zinc/87/80/72/810878072.db2.gz JQTKRZOANZHUEQ-ZQDZILKHSA-N 1 3 332.404 -0.709 20 0 EBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001392 810941362 /nfs/dbraw/zinc/94/13/62/810941362.db2.gz QJHIMHDXVBASNT-NSHDSACASA-N 1 3 343.424 -0.282 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220020179 810950572 /nfs/dbraw/zinc/95/05/72/810950572.db2.gz ACQBOYVGHNZMCD-CQSZACIVSA-N 1 3 349.435 -0.481 20 0 EBADHO C[S@@](=O)CC[C@H](N)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022225 810952211 /nfs/dbraw/zinc/95/22/11/810952211.db2.gz CHLKFRQLWDOTEE-LFVRLGFBSA-N 1 3 339.461 -0.161 20 0 EBADHO N[C@H](C(=O)NCCCCCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1 ZINC001220127411 810992776 /nfs/dbraw/zinc/99/27/76/810992776.db2.gz UHFIPJYEUMZDMS-INIZCTEOSA-N 1 3 336.436 -0.085 20 0 EBADHO COC(=O)[C@]1(NC(=O)CNCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC001220228326 811025947 /nfs/dbraw/zinc/02/59/47/811025947.db2.gz JARFSJSXVSDCGX-SFHVURJKSA-N 1 3 348.447 -0.141 20 0 EBADHO NC(=[NH2+])N(C(=O)[C@H]1CNCCN1)c1ccc(N2CCOCC2)cc1 ZINC001220460605 811116760 /nfs/dbraw/zinc/11/67/60/811116760.db2.gz SNKOXJJFDCOGBO-CQSZACIVSA-N 1 3 332.408 -0.689 20 0 EBADHO COCCOCCOCCOCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220514337 811132585 /nfs/dbraw/zinc/13/25/85/811132585.db2.gz GVZWGHXOGXHFFF-OAHLLOKOSA-N 1 3 347.456 -0.874 20 0 EBADHO CC(C)([NH3+])CN(C(=O)[C@@H]1CNCCN1)S(=O)(=O)c1ccccc1 ZINC001220535808 811144446 /nfs/dbraw/zinc/14/44/46/811144446.db2.gz MLNCMKIZJAKWFS-ZDUSSCGKSA-N 1 3 340.449 -0.497 20 0 EBADHO COCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637608 811185185 /nfs/dbraw/zinc/18/51/85/811185185.db2.gz IXIODJMMWVOPNJ-CABCVRRESA-N 1 3 329.441 -0.705 20 0 EBADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1COC2(CNC2)CN1 ZINC001220651968 811190254 /nfs/dbraw/zinc/19/02/54/811190254.db2.gz TZQKQMXBOALLSO-HNNXBMFYSA-N 1 3 345.447 -0.957 20 0 EBADHO CO[C@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001220768609 811234736 /nfs/dbraw/zinc/23/47/36/811234736.db2.gz VDGXAQBNAKMWGY-OWCLPIDISA-N 1 3 343.468 -0.459 20 0 EBADHO CS(=O)(=O)N1CCC(CNC(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001220926488 811296821 /nfs/dbraw/zinc/29/68/21/811296821.db2.gz OLIPHMHDGSMMLA-CYBMUJFWSA-N 1 3 332.470 -0.899 20 0 EBADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001221006467 811341630 /nfs/dbraw/zinc/34/16/30/811341630.db2.gz HUEIZWQJUHPDEQ-LYUDMSCLSA-N 1 3 337.468 -0.687 20 0 EBADHO O=C(NCc1cn(Cc2ccncc2)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001221025661 811351693 /nfs/dbraw/zinc/35/16/93/811351693.db2.gz BOCOEBILFBPKHH-OAHLLOKOSA-N 1 3 326.404 -0.248 20 0 EBADHO N[C@@H](C(=O)NCc1ccc(N2CCCNC2=O)nc1)C1CC[NH2+]CC1 ZINC001221154044 811394588 /nfs/dbraw/zinc/39/45/88/811394588.db2.gz ZDJHQLDMXNOMFU-OAHLLOKOSA-N 1 3 346.435 -0.056 20 0 EBADHO Cn1cncc1C[C@H](N)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391173 811449045 /nfs/dbraw/zinc/44/90/45/811449045.db2.gz KJYJMNFTDOMDSF-HNNXBMFYSA-N 1 3 330.436 -0.142 20 0 EBADHO NC1=CC=C(C2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)NC1 ZINC001221393165 811449553 /nfs/dbraw/zinc/44/95/53/811449553.db2.gz XSSOOWZNEWUIJD-HNNXBMFYSA-N 1 3 333.436 -0.577 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001227454801 811923701 /nfs/dbraw/zinc/92/37/01/811923701.db2.gz VCTMYDOMBUNGJU-JKSUJKDBSA-N 1 3 341.452 -0.561 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001227454801 811923704 /nfs/dbraw/zinc/92/37/04/811923704.db2.gz VCTMYDOMBUNGJU-JKSUJKDBSA-N 1 3 341.452 -0.561 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC2CCN(CCOCCO)CC2)CC1 ZINC001229807721 812056658 /nfs/dbraw/zinc/05/66/58/812056658.db2.gz WYFBFXWOHGZCBO-UHFFFAOYSA-N 1 3 343.468 -0.313 20 0 EBADHO C[NH+](C)CCOCC(=O)NC1CCN(CCN2CCNC2=O)CC1 ZINC001230048792 812072468 /nfs/dbraw/zinc/07/24/68/812072468.db2.gz SUOFALRKAXHPTM-UHFFFAOYSA-N 1 3 341.456 -0.830 20 0 EBADHO CC[C@H](C(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001080989264 812427872 /nfs/dbraw/zinc/42/78/72/812427872.db2.gz QDKWFSDYWMNDBR-CQSZACIVSA-N 1 3 342.484 -0.252 20 0 EBADHO CN1CCN(Cc2cccc(CNS(=O)(=O)CC[NH3+])c2)CC1 ZINC001238415721 812528075 /nfs/dbraw/zinc/52/80/75/812528075.db2.gz ZJBDQRZIQWUVIU-UHFFFAOYSA-N 1 3 326.466 -0.188 20 0 EBADHO COC(=O)[C@H]([N-]S(=O)(=O)CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238708389 812530881 /nfs/dbraw/zinc/53/08/81/812530881.db2.gz SPRKRNCXCJSKSE-CYBMUJFWSA-N 1 3 333.454 -0.553 20 0 EBADHO COC(=O)[C@H](CCCCN[C@H]1CCC[NH2+]C1)NC(=O)CNC(C)=O ZINC001246519688 812574941 /nfs/dbraw/zinc/57/49/41/812574941.db2.gz NZEWQISQTJURRO-KBPBESRZSA-N 1 3 342.440 -0.708 20 0 EBADHO COC(=O)[C@H](O)CN1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252415048 812650402 /nfs/dbraw/zinc/65/04/02/812650402.db2.gz OFJGRMKOYQRWSA-OAHLLOKOSA-N 1 3 337.420 -0.656 20 0 EBADHO O=S1(=O)CCN(CC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256683444 812737418 /nfs/dbraw/zinc/73/74/18/812737418.db2.gz CEFXVZLDCJXJCL-UHFFFAOYSA-N 1 3 345.509 -0.050 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073379 813033824 /nfs/dbraw/zinc/03/38/24/813033824.db2.gz PZOVESSFANAION-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H](O)CN1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001265253437 813277610 /nfs/dbraw/zinc/27/76/10/813277610.db2.gz PSIZFLBXRRZHIS-JKSUJKDBSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@H](O)CN1CCN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001265253437 813277614 /nfs/dbraw/zinc/27/76/14/813277614.db2.gz PSIZFLBXRRZHIS-JKSUJKDBSA-N 1 3 326.485 -0.167 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265441391 813325198 /nfs/dbraw/zinc/32/51/98/813325198.db2.gz FTDHJAKXEBTNAD-QWHCGFSZSA-N 1 3 332.470 -0.790 20 0 EBADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001265673354 813356828 /nfs/dbraw/zinc/35/68/28/813356828.db2.gz DCCDSEXOUDVKQU-UONOGXRCSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001265881774 813402437 /nfs/dbraw/zinc/40/24/37/813402437.db2.gz OPPQZNRLVQDSQM-CABCVRRESA-N 1 3 342.484 -0.491 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001081702965 813441576 /nfs/dbraw/zinc/44/15/76/813441576.db2.gz KKYMKYOKWQGSOW-OCCSQVGLSA-N 1 3 337.424 -0.771 20 0 EBADHO C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001081702964 813441723 /nfs/dbraw/zinc/44/17/23/813441723.db2.gz KKYMKYOKWQGSOW-JSGCOSHPSA-N 1 3 337.424 -0.771 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C2)CCC1 ZINC001081732647 813487676 /nfs/dbraw/zinc/48/76/76/813487676.db2.gz JLXUOIWQUZTVAP-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(CCNCC(=O)NCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001266988647 813722318 /nfs/dbraw/zinc/72/23/18/813722318.db2.gz MNSFRPAGBFXSDI-UHFFFAOYSA-N 1 3 336.358 -0.191 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001267034075 813741205 /nfs/dbraw/zinc/74/12/05/813741205.db2.gz DCOQUGASXCXHBZ-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001267034073 813741344 /nfs/dbraw/zinc/74/13/44/813741344.db2.gz DCOQUGASXCXHBZ-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267372243 813862732 /nfs/dbraw/zinc/86/27/32/813862732.db2.gz JLCQLUOHELCXEW-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267372243 813862742 /nfs/dbraw/zinc/86/27/42/813862742.db2.gz JLCQLUOHELCXEW-ZDUSSCGKSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001267475139 813910333 /nfs/dbraw/zinc/91/03/33/813910333.db2.gz XQMMFUOATUXMJU-UHFFFAOYSA-N 1 3 341.456 -0.295 20 0 EBADHO CO[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082369833 813925677 /nfs/dbraw/zinc/92/56/77/813925677.db2.gz FBWABAHCNUNUIX-HZPDHXFCSA-N 1 3 335.452 -0.126 20 0 EBADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1N[C@H]1CCNC1=O ZINC001082518056 813961395 /nfs/dbraw/zinc/96/13/95/813961395.db2.gz XDNSIJYMCYUBJU-VNHYZAJKSA-N 1 3 348.451 -0.617 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001082748621 814004759 /nfs/dbraw/zinc/00/47/59/814004759.db2.gz UFUGVTWPKDFLER-MCIONIFRSA-N 1 3 338.452 -0.088 20 0 EBADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)N(C)C ZINC001269485083 814709613 /nfs/dbraw/zinc/70/96/13/814709613.db2.gz YZBNNSUFUAHOML-OAHLLOKOSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001269970370 815653540 /nfs/dbraw/zinc/65/35/40/815653540.db2.gz CJIBERSTAHILJT-NWDGAFQWSA-N 1 3 343.453 -0.530 20 0 EBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517608 815804232 /nfs/dbraw/zinc/80/42/32/815804232.db2.gz RTYIVROAUYGDLT-KGLIPLIRSA-N 1 3 325.457 -0.305 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373003 816310924 /nfs/dbraw/zinc/31/09/24/816310924.db2.gz HHCKDODCFSCNCN-RZLSGREXSA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086373003 816310931 /nfs/dbraw/zinc/31/09/31/816310931.db2.gz HHCKDODCFSCNCN-RZLSGREXSA-N 1 3 348.451 -0.337 20 0 EBADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431920 816332417 /nfs/dbraw/zinc/33/24/17/816332417.db2.gz GZANVVRYXUFKOP-IKOJDNRSSA-N 1 3 336.436 -0.792 20 0 EBADHO Cn1cc(CNCCN(CCO)C(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001272168588 816336797 /nfs/dbraw/zinc/33/67/97/816336797.db2.gz LFXIEZXIESHPKK-MRXNPFEDSA-N 1 3 335.452 -0.328 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001272196976 816347703 /nfs/dbraw/zinc/34/77/03/816347703.db2.gz PYNQRXODJXGGHD-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001272196976 816347704 /nfs/dbraw/zinc/34/77/04/816347704.db2.gz PYNQRXODJXGGHD-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383673 816416790 /nfs/dbraw/zinc/41/67/90/816416790.db2.gz ITUIVHQUGAWQCE-KGLIPLIRSA-N 1 3 346.497 -0.542 20 0 EBADHO COC(=O)CCCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272498464 816447457 /nfs/dbraw/zinc/44/74/57/816447457.db2.gz NAXJRCUPQURBBO-MRXNPFEDSA-N 1 3 327.425 -0.196 20 0 EBADHO CN(CCC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)CN1CCCC1 ZINC001273591297 816703677 /nfs/dbraw/zinc/70/36/77/816703677.db2.gz MNKUXQHNKUDVOC-UHFFFAOYSA-N 1 3 339.440 -0.586 20 0 EBADHO CN(CCC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)CN1CCCC1 ZINC001273591297 816703684 /nfs/dbraw/zinc/70/36/84/816703684.db2.gz MNKUXQHNKUDVOC-UHFFFAOYSA-N 1 3 339.440 -0.586 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273709900 816737775 /nfs/dbraw/zinc/73/77/75/816737775.db2.gz BTTZBLJSTGYLET-HNNXBMFYSA-N 1 3 340.468 -0.375 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273709900 816737777 /nfs/dbraw/zinc/73/77/77/816737777.db2.gz BTTZBLJSTGYLET-HNNXBMFYSA-N 1 3 340.468 -0.375 20 0 EBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001274967276 817133619 /nfs/dbraw/zinc/13/36/19/817133619.db2.gz AGPOSVVZXXFOPN-GFCCVEGCSA-N 1 3 335.470 -0.764 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)CCO1 ZINC001275916093 817312866 /nfs/dbraw/zinc/31/28/66/817312866.db2.gz UNJQZCWNJBYPGD-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001277823635 817641546 /nfs/dbraw/zinc/64/15/46/817641546.db2.gz NNZIEUCGQXMDHI-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001278300094 817738380 /nfs/dbraw/zinc/73/83/80/817738380.db2.gz FMSRHNMROQAXJN-DOMZBBRYSA-N 1 3 337.424 -0.316 20 0 EBADHO C[C@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399173 817753057 /nfs/dbraw/zinc/75/30/57/817753057.db2.gz VATFDTVNUCYZOO-GXTWGEPZSA-N 1 3 346.497 -0.544 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001283912774 819026642 /nfs/dbraw/zinc/02/66/42/819026642.db2.gz DRPYYQMSEWJVIW-DGCLKSJQSA-N 1 3 348.407 -0.527 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001283912776 819026987 /nfs/dbraw/zinc/02/69/87/819026987.db2.gz DRPYYQMSEWJVIW-YPMHNXCESA-N 1 3 348.407 -0.527 20 0 EBADHO C[C@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004983 819060674 /nfs/dbraw/zinc/06/06/74/819060674.db2.gz UUSXRUBWQOYKHE-QWHCGFSZSA-N 1 3 334.486 -0.544 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001284031134 819072872 /nfs/dbraw/zinc/07/28/72/819072872.db2.gz IZZNAXKKQGYHAU-ZIAGYGMSSA-N 1 3 348.513 -0.155 20 0 EBADHO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001098477590 819207449 /nfs/dbraw/zinc/20/74/49/819207449.db2.gz AVVZSQMVELMXDS-LSDHHAIUSA-N 1 3 327.469 -0.006 20 0 EBADHO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001098477590 819207453 /nfs/dbraw/zinc/20/74/53/819207453.db2.gz AVVZSQMVELMXDS-LSDHHAIUSA-N 1 3 327.469 -0.006 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975004 819979134 /nfs/dbraw/zinc/97/91/34/819979134.db2.gz XLJSVEPEFPJVQZ-JKSUJKDBSA-N 1 3 337.468 -0.144 20 0 EBADHO CCOCCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050691 820125305 /nfs/dbraw/zinc/12/53/05/820125305.db2.gz LOGXHRIXPJEUTF-HOTGVXAUSA-N 1 3 343.468 -0.315 20 0 EBADHO CC(C)OCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074619 820165777 /nfs/dbraw/zinc/16/57/77/820165777.db2.gz QBPCVKZFGVHCRB-CABCVRRESA-N 1 3 331.457 -0.459 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001100076850 820172273 /nfs/dbraw/zinc/17/22/73/820172273.db2.gz SOPRWCSYBBXHAF-HOTGVXAUSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100676130 820507287 /nfs/dbraw/zinc/50/72/87/820507287.db2.gz ICVXSZFQHUVNPL-HSBZDZAISA-N 1 3 346.497 -0.496 20 0 EBADHO CS(=O)(=O)CCNC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100874328 820586973 /nfs/dbraw/zinc/58/69/73/820586973.db2.gz APWWHAZIAYDEMX-UHFFFAOYSA-N 1 3 329.466 -0.389 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@H](O)COCCOC)C1 ZINC001100901536 820594806 /nfs/dbraw/zinc/59/48/06/820594806.db2.gz BMYCHNKRQQHXRN-GPANFISMSA-N 1 3 345.484 -0.164 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001100905103 820595247 /nfs/dbraw/zinc/59/52/47/820595247.db2.gz WOUSNUYRJKAGSN-PNESKVBLSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292575 821060691 /nfs/dbraw/zinc/06/06/91/821060691.db2.gz UBNSSDDQOLMWSW-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295326 821061131 /nfs/dbraw/zinc/06/11/31/821061131.db2.gz DMUISKMZAQZFOA-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001103999743 821385426 /nfs/dbraw/zinc/38/54/26/821385426.db2.gz JYTOTIZAYSPNLB-JHJVBQTASA-N 1 3 339.440 -0.650 20 0 EBADHO CN(C)C1(C(=O)N(C)C2CN(C(=O)COCC[NH+](C)C)C2)CCC1 ZINC001299368104 821684170 /nfs/dbraw/zinc/68/41/70/821684170.db2.gz OVFOEKWDIZWEGW-UHFFFAOYSA-N 1 3 340.468 -0.282 20 0 EBADHO CNC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001105482108 821759672 /nfs/dbraw/zinc/75/96/72/821759672.db2.gz UJYLKYRTFRSOBO-UHFFFAOYSA-N 1 3 349.435 -0.172 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317056042 821986689 /nfs/dbraw/zinc/98/66/89/821986689.db2.gz PLSBSQDFRTYGEQ-GJZGRUSLSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC001317114206 822007149 /nfs/dbraw/zinc/00/71/49/822007149.db2.gz UIBSNPUBYFIHKD-BETUJISGSA-N 1 3 336.436 -0.144 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001317289039 822065733 /nfs/dbraw/zinc/06/57/33/822065733.db2.gz HWDAXDHCPIXEQX-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001317656115 822194499 /nfs/dbraw/zinc/19/44/99/822194499.db2.gz XXNXLBLNWDUDDB-UHFFFAOYSA-N 1 3 337.424 -0.882 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106704972 822314962 /nfs/dbraw/zinc/31/49/62/822314962.db2.gz LIMBKCQVTMORAT-ZIAGYGMSSA-N 1 3 349.435 -0.505 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704853 822315672 /nfs/dbraw/zinc/31/56/72/822315672.db2.gz FTOGBCWLBOZWEJ-GHMZBOCLSA-N 1 3 336.396 -0.908 20 0 EBADHO CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC001318699987 822352383 /nfs/dbraw/zinc/35/23/83/822352383.db2.gz GUUBWKMJZBHQTP-MRXNPFEDSA-N 1 3 340.516 -0.441 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC ZINC001128527861 828470122 /nfs/dbraw/zinc/47/01/22/828470122.db2.gz DKTSWAYPBGBFCD-RYUDHWBXSA-N 1 3 347.435 -0.394 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC ZINC001128774145 828524210 /nfs/dbraw/zinc/52/42/10/828524210.db2.gz MUUMMVUTDOPYII-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC ZINC001128774145 828524213 /nfs/dbraw/zinc/52/42/13/828524213.db2.gz MUUMMVUTDOPYII-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001128773798 828524572 /nfs/dbraw/zinc/52/45/72/828524572.db2.gz DYEBEICPXDXRHE-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001128773798 828524573 /nfs/dbraw/zinc/52/45/73/828524573.db2.gz DYEBEICPXDXRHE-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040962 823720670 /nfs/dbraw/zinc/72/06/70/823720670.db2.gz UWDNMUOIVHNZRL-CHWSQXEVSA-N 1 3 341.456 -0.534 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329648 828598448 /nfs/dbraw/zinc/59/84/48/828598448.db2.gz ZDAFTTXSXHIRFM-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329648 828598453 /nfs/dbraw/zinc/59/84/53/828598453.db2.gz ZDAFTTXSXHIRFM-CHWSQXEVSA-N 1 3 341.456 -0.486 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329650 828598911 /nfs/dbraw/zinc/59/89/11/828598911.db2.gz ZDAFTTXSXHIRFM-OLZOCXBDSA-N 1 3 341.456 -0.486 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329650 828598914 /nfs/dbraw/zinc/59/89/14/828598914.db2.gz ZDAFTTXSXHIRFM-OLZOCXBDSA-N 1 3 341.456 -0.486 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129339561 828600936 /nfs/dbraw/zinc/60/09/36/828600936.db2.gz GPMIVURHBZCQDR-GFCCVEGCSA-N 1 3 327.429 -0.874 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129339561 828600938 /nfs/dbraw/zinc/60/09/38/828600938.db2.gz GPMIVURHBZCQDR-GFCCVEGCSA-N 1 3 327.429 -0.874 20 0 EBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364160 828606306 /nfs/dbraw/zinc/60/63/06/828606306.db2.gz QFWNCIPSMQKAMT-CABCVRRESA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364160 828606309 /nfs/dbraw/zinc/60/63/09/828606309.db2.gz QFWNCIPSMQKAMT-CABCVRRESA-N 1 3 338.452 -0.386 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437147 828620257 /nfs/dbraw/zinc/62/02/57/828620257.db2.gz VYTLTCMPVWUULP-JSGCOSHPSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(CCNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001129840450 828680604 /nfs/dbraw/zinc/68/06/04/828680604.db2.gz GHNGSFWWIHGMKD-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CN(CCNCCNC(=O)CC[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001129840450 828680607 /nfs/dbraw/zinc/68/06/07/828680607.db2.gz GHNGSFWWIHGMKD-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130006178 828713474 /nfs/dbraw/zinc/71/34/74/828713474.db2.gz WWIWKBISTJAZFY-KFWWJZLASA-N 1 3 336.440 -0.656 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130047888 828722203 /nfs/dbraw/zinc/72/22/03/828722203.db2.gz YHORRYPJCGMMDB-ZNMIVQPWSA-N 1 3 338.456 -0.004 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169849 828743066 /nfs/dbraw/zinc/74/30/66/828743066.db2.gz HOXTVNKDBVLAPI-UHFFFAOYSA-N 1 3 340.468 -0.279 20 0 EBADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137392 828738730 /nfs/dbraw/zinc/73/87/30/828738730.db2.gz XEJLCLFRYYHDCK-KFWWJZLASA-N 1 3 338.456 -0.005 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)N(C)C ZINC001130201254 828754078 /nfs/dbraw/zinc/75/40/78/828754078.db2.gz ZMILSGZVAWXZAP-VXGBXAGGSA-N 1 3 329.445 -0.345 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)N(C)C ZINC001130203703 828754883 /nfs/dbraw/zinc/75/48/83/828754883.db2.gz UGOZSZLBWOKZJG-GHMZBOCLSA-N 1 3 329.363 -0.028 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001130419257 828827895 /nfs/dbraw/zinc/82/78/95/828827895.db2.gz RLGOJBXCZIIUKE-ZDUSSCGKSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001130419257 828827904 /nfs/dbraw/zinc/82/79/04/828827904.db2.gz RLGOJBXCZIIUKE-ZDUSSCGKSA-N 1 3 328.457 -0.282 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001130427940 828831505 /nfs/dbraw/zinc/83/15/05/828831505.db2.gz WBOWQUKTHSLJTR-UHFFFAOYSA-N 1 3 336.502 -0.296 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617309 832993899 /nfs/dbraw/zinc/99/38/99/832993899.db2.gz DRPYYQMSEWJVIW-AAEUAGOBSA-N 1 3 348.407 -0.527 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001114415983 826240483 /nfs/dbraw/zinc/24/04/83/826240483.db2.gz FRFVNDZREXDONY-CBZIJGRNSA-N 1 3 347.463 -0.225 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001114415983 826240486 /nfs/dbraw/zinc/24/04/86/826240486.db2.gz FRFVNDZREXDONY-CBZIJGRNSA-N 1 3 347.463 -0.225 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925283 833026775 /nfs/dbraw/zinc/02/67/75/833026775.db2.gz OGQKURPLTCKAEW-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925283 833026781 /nfs/dbraw/zinc/02/67/81/833026781.db2.gz OGQKURPLTCKAEW-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001179987155 833031643 /nfs/dbraw/zinc/03/16/43/833031643.db2.gz MTBHURYIGDSNFM-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983393 833031693 /nfs/dbraw/zinc/03/16/93/833031693.db2.gz ZQJNNPAVEUGCIL-AVGNSLFASA-N 1 3 341.456 -0.119 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983393 833031697 /nfs/dbraw/zinc/03/16/97/833031697.db2.gz ZQJNNPAVEUGCIL-AVGNSLFASA-N 1 3 341.456 -0.119 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)CN1CCCC1 ZINC001180132253 833045297 /nfs/dbraw/zinc/04/52/97/833045297.db2.gz ZUMYMNIZFRJRJC-JYJNAYRXSA-N 1 3 335.452 -0.081 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115001098 826397074 /nfs/dbraw/zinc/39/70/74/826397074.db2.gz RWZHTMDDWJMAFL-AIANPOQGSA-N 1 3 335.452 -0.368 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115001098 826397078 /nfs/dbraw/zinc/39/70/78/826397078.db2.gz RWZHTMDDWJMAFL-AIANPOQGSA-N 1 3 335.452 -0.368 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115152891 826433939 /nfs/dbraw/zinc/43/39/39/826433939.db2.gz WPOUWEXPKYHYQS-AIANPOQGSA-N 1 3 335.452 -0.368 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115152891 826433945 /nfs/dbraw/zinc/43/39/45/826433945.db2.gz WPOUWEXPKYHYQS-AIANPOQGSA-N 1 3 335.452 -0.368 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115297266 826500199 /nfs/dbraw/zinc/50/01/99/826500199.db2.gz BOORGLAASMVWGF-OEUWWYETSA-N 1 3 348.447 -0.286 20 0 EBADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)CN1CCN(C)CC1 ZINC001118149233 826860361 /nfs/dbraw/zinc/86/03/61/826860361.db2.gz AIJYWJRYYNCOTB-IAGOWNOFSA-N 1 3 327.517 -0.932 20 0 EBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118553594 826958553 /nfs/dbraw/zinc/95/85/53/826958553.db2.gz VHBKEBQNQBBVML-AWEZNQCLSA-N 1 3 340.468 -0.201 20 0 EBADHO CO[C@@H](CN)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001119355508 827101371 /nfs/dbraw/zinc/10/13/71/827101371.db2.gz UIDMCFFFUJHQPC-HNNXBMFYSA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C[C@H]1[NH3+] ZINC001119637020 827129544 /nfs/dbraw/zinc/12/95/44/827129544.db2.gz XGUISWXKGWUPHF-UKRRQHHQSA-N 1 3 337.468 -0.970 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652683 833170390 /nfs/dbraw/zinc/17/03/90/833170390.db2.gz OOHCTIYYEFHMBD-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121952742 827490385 /nfs/dbraw/zinc/49/03/85/827490385.db2.gz LWQOESIEAMJGKG-CZUORRHYSA-N 1 3 327.425 -0.509 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001121996090 827499084 /nfs/dbraw/zinc/49/90/84/827499084.db2.gz CMGQSAWZOUPWAY-BBWFWOEESA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001121996090 827499088 /nfs/dbraw/zinc/49/90/88/827499088.db2.gz CMGQSAWZOUPWAY-BBWFWOEESA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001121996094 827499154 /nfs/dbraw/zinc/49/91/54/827499154.db2.gz CMGQSAWZOUPWAY-IXDOHACOSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001121996094 827499158 /nfs/dbraw/zinc/49/91/58/827499158.db2.gz CMGQSAWZOUPWAY-IXDOHACOSA-N 1 3 337.512 -0.093 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183038623 833277609 /nfs/dbraw/zinc/27/76/09/833277609.db2.gz DXBIHQKOQBISRH-VXGBXAGGSA-N 1 3 325.413 -0.754 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183038623 833277612 /nfs/dbraw/zinc/27/76/12/833277612.db2.gz DXBIHQKOQBISRH-VXGBXAGGSA-N 1 3 325.413 -0.754 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229592 833284364 /nfs/dbraw/zinc/28/43/64/833284364.db2.gz ODBJXIVYMOPCHQ-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1)C1CC1 ZINC001183267280 833285082 /nfs/dbraw/zinc/28/50/82/833285082.db2.gz LUQBGYQESITICJ-KGLIPLIRSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001183288703 833285632 /nfs/dbraw/zinc/28/56/32/833285632.db2.gz LBNHXJUDMUGXOP-GHMZBOCLSA-N 1 3 325.413 -0.755 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183392565 833289120 /nfs/dbraw/zinc/28/91/20/833289120.db2.gz YDQZMJVTCLGXGA-VXGBXAGGSA-N 1 3 325.413 -0.754 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183392565 833289121 /nfs/dbraw/zinc/28/91/21/833289121.db2.gz YDQZMJVTCLGXGA-VXGBXAGGSA-N 1 3 325.413 -0.754 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)N(C)C ZINC001183582411 833296257 /nfs/dbraw/zinc/29/62/57/833296257.db2.gz YBOHAJBJHBUKQF-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1)N(C)C ZINC001183581450 833296309 /nfs/dbraw/zinc/29/63/09/833296309.db2.gz JKNDHMLFRPFHDH-HUUCEWRRSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466631 828296324 /nfs/dbraw/zinc/29/63/24/828296324.db2.gz VQZDRXGRMHHORN-ZFWWWQNUSA-N 1 3 340.468 -0.425 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001127695586 828315661 /nfs/dbraw/zinc/31/56/61/828315661.db2.gz QOUOFILXGGETNO-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)CC[N@H+]1C ZINC001127695586 828315670 /nfs/dbraw/zinc/31/56/70/828315670.db2.gz QOUOFILXGGETNO-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127760200 828320781 /nfs/dbraw/zinc/32/07/81/828320781.db2.gz GIMNJRPFMFPEQJ-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127760200 828320791 /nfs/dbraw/zinc/32/07/91/828320791.db2.gz GIMNJRPFMFPEQJ-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC001127778488 828326076 /nfs/dbraw/zinc/32/60/76/828326076.db2.gz GAUFUIBFELDOIP-HUUCEWRRSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC001127778488 828326087 /nfs/dbraw/zinc/32/60/87/828326087.db2.gz GAUFUIBFELDOIP-HUUCEWRRSA-N 1 3 338.452 -0.432 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127779713 828328118 /nfs/dbraw/zinc/32/81/18/828328118.db2.gz QWZNVESTXBCSAI-HOTGVXAUSA-N 1 3 346.431 -0.146 20 0 EBADHO NC(=O)c1cccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779713 828328129 /nfs/dbraw/zinc/32/81/29/828328129.db2.gz QWZNVESTXBCSAI-HOTGVXAUSA-N 1 3 346.431 -0.146 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CCC1 ZINC001127780449 828329576 /nfs/dbraw/zinc/32/95/76/828329576.db2.gz ZBBANFASHFJHHE-CABCVRRESA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NCC1CCC1 ZINC001127780449 828329585 /nfs/dbraw/zinc/32/95/85/828329585.db2.gz ZBBANFASHFJHHE-CABCVRRESA-N 1 3 338.452 -0.528 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556494 828881290 /nfs/dbraw/zinc/88/12/90/828881290.db2.gz KDSKWHGHYWKYEX-UHFFFAOYSA-N 1 3 336.396 -0.931 20 0 EBADHO C[C@H](NCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)NC(N)=O ZINC001130622307 828902599 /nfs/dbraw/zinc/90/25/99/828902599.db2.gz CELINNCWLOZTAY-NSHDSACASA-N 1 3 341.456 -0.071 20 0 EBADHO C[C@H](NCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(=O)NC(N)=O ZINC001130622307 828902604 /nfs/dbraw/zinc/90/26/04/828902604.db2.gz CELINNCWLOZTAY-NSHDSACASA-N 1 3 341.456 -0.071 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230666 833350578 /nfs/dbraw/zinc/35/05/78/833350578.db2.gz ZDMLKEIDRCQDII-GFCCVEGCSA-N 1 3 339.440 -0.636 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249219 833351469 /nfs/dbraw/zinc/35/14/69/833351469.db2.gz RJQHYZIJWRADTC-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@@H]1CN(C(=O)CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CCO1 ZINC001185265127 833352933 /nfs/dbraw/zinc/35/29/33/833352933.db2.gz MDJKENBGUXFCBZ-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H]2CN(C)CCN2C)CC[NH+](C)CC1 ZINC001185261815 833353116 /nfs/dbraw/zinc/35/31/16/833353116.db2.gz HSQQIROEEVYAPP-ZDUSSCGKSA-N 1 3 326.441 -0.624 20 0 EBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC1 ZINC001185385799 833357342 /nfs/dbraw/zinc/35/73/42/833357342.db2.gz UUENHJFRTNCBLI-CYBMUJFWSA-N 1 3 332.470 -0.932 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001185609081 833363228 /nfs/dbraw/zinc/36/32/28/833363228.db2.gz CRSIEBDPFODJJO-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)N(C)C ZINC001185715691 833367834 /nfs/dbraw/zinc/36/78/34/833367834.db2.gz JEYMBBXQYZESAP-KFWWJZLASA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001185716061 833367986 /nfs/dbraw/zinc/36/79/86/833367986.db2.gz OTIMYZJTUBGBTP-UTUOFQBUSA-N 1 3 327.429 -0.639 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)cn1 ZINC001186234046 833393077 /nfs/dbraw/zinc/39/30/77/833393077.db2.gz DQTMGUZWARHPFN-OAHLLOKOSA-N 1 3 348.451 -0.473 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCCNS(=O)(=O)CC)C1 ZINC001132738473 829511843 /nfs/dbraw/zinc/51/18/43/829511843.db2.gz FERWCFUMPSMODP-AWEZNQCLSA-N 1 3 348.513 -0.247 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCCNS(=O)(=O)CC)C1 ZINC001132738473 829511846 /nfs/dbraw/zinc/51/18/46/829511846.db2.gz FERWCFUMPSMODP-AWEZNQCLSA-N 1 3 348.513 -0.247 20 0 EBADHO COc1cccc(CNC(=O)CNCCNC(=O)CC[NH+](C)C)c1 ZINC001133291458 829617141 /nfs/dbraw/zinc/61/71/41/829617141.db2.gz QMRLMUJPWMDIPY-UHFFFAOYSA-N 1 3 336.436 -0.031 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001186816745 833430398 /nfs/dbraw/zinc/43/03/98/833430398.db2.gz GCSUFQMHEKGHFE-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001186816745 833430403 /nfs/dbraw/zinc/43/04/03/833430403.db2.gz GCSUFQMHEKGHFE-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001133419273 829630132 /nfs/dbraw/zinc/63/01/32/829630132.db2.gz KWUINHISXIFXOL-UONOGXRCSA-N 1 3 348.513 -0.440 20 0 EBADHO CC[C@@H](C(=O)NCCNCC(=O)NC[C@H]1CCOC1)[NH+](CC)CC ZINC001133689685 829662064 /nfs/dbraw/zinc/66/20/64/829662064.db2.gz BGXDQJLRRXWAKM-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO CC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690101 829662210 /nfs/dbraw/zinc/66/22/10/829662210.db2.gz HWHCJHJXMOVCQW-NWDGAFQWSA-N 1 3 329.445 -0.343 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133819852 829680184 /nfs/dbraw/zinc/68/01/84/829680184.db2.gz PPZSEAFVENFGGN-LLVKDONJSA-N 1 3 325.413 -0.835 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133819852 829680187 /nfs/dbraw/zinc/68/01/87/829680187.db2.gz PPZSEAFVENFGGN-LLVKDONJSA-N 1 3 325.413 -0.835 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845535 829684675 /nfs/dbraw/zinc/68/46/75/829684675.db2.gz IETZTHKKCHBEGV-KGLIPLIRSA-N 1 3 346.497 -0.685 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001133845370 829684905 /nfs/dbraw/zinc/68/49/05/829684905.db2.gz CZBAOYSRKJXYCF-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001133845823 829685208 /nfs/dbraw/zinc/68/52/08/829685208.db2.gz OBVFMLKLZBDQAN-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001133845823 829685209 /nfs/dbraw/zinc/68/52/09/829685209.db2.gz OBVFMLKLZBDQAN-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845537 829685349 /nfs/dbraw/zinc/68/53/49/829685349.db2.gz IETZTHKKCHBEGV-ZIAGYGMSSA-N 1 3 346.497 -0.685 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866913 829690130 /nfs/dbraw/zinc/69/01/30/829690130.db2.gz PUDGSBFKZZWSOI-UKRRQHHQSA-N 1 3 333.436 -0.399 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866913 829690133 /nfs/dbraw/zinc/69/01/33/829690133.db2.gz PUDGSBFKZZWSOI-UKRRQHHQSA-N 1 3 333.436 -0.399 20 0 EBADHO C[C@H](NCCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001133890190 829694063 /nfs/dbraw/zinc/69/40/63/829694063.db2.gz JSRJYFGPBSRSCI-LBPRGKRZSA-N 1 3 349.435 -0.307 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cc1 ZINC001133893530 829694777 /nfs/dbraw/zinc/69/47/77/829694777.db2.gz IKVFNXGKGAYGGS-UHFFFAOYSA-N 1 3 335.408 -0.695 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908417 829696928 /nfs/dbraw/zinc/69/69/28/829696928.db2.gz QHMAKUHCHUXMMQ-NSHDSACASA-N 1 3 329.445 -0.486 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001133966199 829708003 /nfs/dbraw/zinc/70/80/03/829708003.db2.gz XFYWMQMGQNCOEE-STQMWFEESA-N 1 3 334.486 -0.686 20 0 EBADHO C[C@H](COCC(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021010 829713145 /nfs/dbraw/zinc/71/31/45/829713145.db2.gz NVWBNFFQUAVVFK-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H](COCC(=O)NCCNCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001134054242 829718827 /nfs/dbraw/zinc/71/88/27/829718827.db2.gz BRCFQCCQMCDXKN-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134582910 829796708 /nfs/dbraw/zinc/79/67/08/829796708.db2.gz BIJJQZFJTATMNK-QWHCGFSZSA-N 1 3 348.513 -0.107 20 0 EBADHO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(N(C)C)CCC1 ZINC001134582908 829797148 /nfs/dbraw/zinc/79/71/48/829797148.db2.gz BIJJQZFJTATMNK-CHWSQXEVSA-N 1 3 348.513 -0.107 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001134767484 829840839 /nfs/dbraw/zinc/84/08/39/829840839.db2.gz YPELOFGULHMZLI-CYBMUJFWSA-N 1 3 334.486 -0.496 20 0 EBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001134767484 829840849 /nfs/dbraw/zinc/84/08/49/829840849.db2.gz YPELOFGULHMZLI-CYBMUJFWSA-N 1 3 334.486 -0.496 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776251 829843654 /nfs/dbraw/zinc/84/36/54/829843654.db2.gz OKHVEWNFVUSFFC-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782182 829845014 /nfs/dbraw/zinc/84/50/14/829845014.db2.gz ARDRQVSXEOAOMO-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474406 829973530 /nfs/dbraw/zinc/97/35/30/829973530.db2.gz PHVQHJGUJFSSHC-NEPJUHHUSA-N 1 3 329.445 -0.358 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)C(C)C ZINC001135478021 829974251 /nfs/dbraw/zinc/97/42/51/829974251.db2.gz TWVFIFLVRSVUEK-GXTWGEPZSA-N 1 3 326.441 -0.136 20 0 EBADHO CCCC[C@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135963482 830053167 /nfs/dbraw/zinc/05/31/67/830053167.db2.gz OZOYHIRFLFQPRM-AWEZNQCLSA-N 1 3 328.457 -0.153 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979497 830056179 /nfs/dbraw/zinc/05/61/79/830056179.db2.gz GVIHPBXJZYOHOM-QWHCGFSZSA-N 1 3 336.502 -0.250 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001211269409 837419857 /nfs/dbraw/zinc/41/98/57/837419857.db2.gz QLECOPCWHBBQTL-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)NC(N)=O ZINC001147301421 830319078 /nfs/dbraw/zinc/31/90/78/830319078.db2.gz XQKPKLNBPVDBDY-NSHDSACASA-N 1 3 339.440 -0.602 20 0 EBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147338989 830325619 /nfs/dbraw/zinc/32/56/19/830325619.db2.gz DXJHERSUWRFFGM-AWEZNQCLSA-N 1 3 336.436 -0.381 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147836217 830418520 /nfs/dbraw/zinc/41/85/20/830418520.db2.gz ZKMDEAGADXUJNP-UONOGXRCSA-N 1 3 348.513 -0.248 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876993 830424795 /nfs/dbraw/zinc/42/47/95/830424795.db2.gz BLDXZNYWTDHCTJ-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147876993 830424798 /nfs/dbraw/zinc/42/47/98/830424798.db2.gz BLDXZNYWTDHCTJ-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO C[C@H]1CCCC[C@@H]1NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893964 830426872 /nfs/dbraw/zinc/42/68/72/830426872.db2.gz WEGLXNOKNQXVFU-GJZGRUSLSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001147892000 830426930 /nfs/dbraw/zinc/42/69/30/830426930.db2.gz GNFBXYBNUSCVHC-UHFFFAOYSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H]1C[C@H](C)CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1 ZINC001147893987 830426937 /nfs/dbraw/zinc/42/69/37/830426937.db2.gz WZBWHGPWQDEDPM-GJZGRUSLSA-N 1 3 342.484 -0.225 20 0 EBADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147894036 830427392 /nfs/dbraw/zinc/42/73/92/830427392.db2.gz YUAJGXFICQCYSR-CYBMUJFWSA-N 1 3 330.473 -0.036 20 0 EBADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900629 830428518 /nfs/dbraw/zinc/42/85/18/830428518.db2.gz SWJOHNRIZWXKKR-VXGBXAGGSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900629 830428521 /nfs/dbraw/zinc/42/85/21/830428521.db2.gz SWJOHNRIZWXKKR-VXGBXAGGSA-N 1 3 339.440 -0.589 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999687 830436747 /nfs/dbraw/zinc/43/67/47/830436747.db2.gz CLHCKXUIEKNEAU-LBPRGKRZSA-N 1 3 339.440 -0.589 20 0 EBADHO Cn1c(CNCCNC(=O)CCCC[NH+](C)C)cc(=O)n(C)c1=O ZINC001148365181 830475289 /nfs/dbraw/zinc/47/52/89/830475289.db2.gz KJXGQJXVLSIBLG-UHFFFAOYSA-N 1 3 339.440 -0.978 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 ZINC001149937508 830786429 /nfs/dbraw/zinc/78/64/29/830786429.db2.gz TXEIZEGMQCEXLK-LSDHHAIUSA-N 1 3 345.484 -0.069 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 ZINC001149937508 830786433 /nfs/dbraw/zinc/78/64/33/830786433.db2.gz TXEIZEGMQCEXLK-LSDHHAIUSA-N 1 3 345.484 -0.069 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001150478826 830912284 /nfs/dbraw/zinc/91/22/84/830912284.db2.gz AFSNSXBLINOANS-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCCO1 ZINC001150478826 830912286 /nfs/dbraw/zinc/91/22/86/830912286.db2.gz AFSNSXBLINOANS-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073470 831022382 /nfs/dbraw/zinc/02/23/82/831022382.db2.gz LWJRKHICVWVBBB-VXGBXAGGSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073470 831022390 /nfs/dbraw/zinc/02/23/90/831022390.db2.gz LWJRKHICVWVBBB-VXGBXAGGSA-N 1 3 327.429 -0.733 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224370 831143959 /nfs/dbraw/zinc/14/39/59/831143959.db2.gz VVKKHVFBYPNNQW-UHFFFAOYSA-N 1 3 328.457 -0.279 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152237832 831145109 /nfs/dbraw/zinc/14/51/09/831145109.db2.gz XORWPRPUWPXACX-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340487 831154250 /nfs/dbraw/zinc/15/42/50/831154250.db2.gz OZADWUNDUINNET-UHFFFAOYSA-N 1 3 328.457 -0.279 20 0 EBADHO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445863 831164644 /nfs/dbraw/zinc/16/46/44/831164644.db2.gz PUGNUGIQIFTXRJ-AWEZNQCLSA-N 1 3 330.473 -0.036 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCN1C)C(=O)Nc1ncccn1 ZINC001155791270 831430116 /nfs/dbraw/zinc/43/01/16/831430116.db2.gz UXUXCOQCEIJGPB-QWHCGFSZSA-N 1 3 334.424 -0.006 20 0 EBADHO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2CCCN2C)s1 ZINC001155790960 831430170 /nfs/dbraw/zinc/43/01/70/831430170.db2.gz PVFQPDDQACMRRR-LLVKDONJSA-N 1 3 340.453 -0.025 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001155822081 831433115 /nfs/dbraw/zinc/43/31/15/831433115.db2.gz HZXOCGPSONMPJI-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890017 831513423 /nfs/dbraw/zinc/51/34/23/831513423.db2.gz HIQOAPWUCUPLSP-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890017 831513426 /nfs/dbraw/zinc/51/34/26/831513426.db2.gz HIQOAPWUCUPLSP-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO CN1CCNC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157386409 831562847 /nfs/dbraw/zinc/56/28/47/831562847.db2.gz KLCMOXLDSOBQQS-KBPBESRZSA-N 1 3 325.457 -0.874 20 0 EBADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157413789 831564605 /nfs/dbraw/zinc/56/46/05/831564605.db2.gz OZCROPRNDGQMTK-OAHLLOKOSA-N 1 3 331.420 -0.199 20 0 EBADHO CN(C[C@H]1CNCCO1)C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720450 831588140 /nfs/dbraw/zinc/58/81/40/831588140.db2.gz JGEQXTSPNVGVTA-ZIAGYGMSSA-N 1 3 327.425 -0.306 20 0 EBADHO CS(=O)(=O)c1nc2c(c(N3CC[C@@](F)(CN)C3)n1)CC[NH2+]CC2 ZINC001157809740 831595336 /nfs/dbraw/zinc/59/53/36/831595336.db2.gz SKPBZCLFHCYYBN-CQSZACIVSA-N 1 3 343.428 -0.555 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@H](C[NH3+])[C@@H]2C)COC1(C)C ZINC001157841206 831596130 /nfs/dbraw/zinc/59/61/30/831596130.db2.gz FQQCQEFKVUQTIX-CYDGBPFRSA-N 1 3 326.441 -0.117 20 0 EBADHO CC(C)(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)N1CCCCC1 ZINC001158079959 831626471 /nfs/dbraw/zinc/62/64/71/831626471.db2.gz VDKKQVSDYWNCRD-UHFFFAOYSA-N 1 3 348.513 -0.104 20 0 EBADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118760 831630103 /nfs/dbraw/zinc/63/01/03/831630103.db2.gz DFGYYWHBRFZLBF-JEBQAFNWSA-N 1 3 348.447 -0.917 20 0 EBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179074 831637086 /nfs/dbraw/zinc/63/70/86/831637086.db2.gz GRLCUODVLZYXCE-JHJVBQTASA-N 1 3 327.425 -0.118 20 0 EBADHO Cn1cncc1C[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260806 831642021 /nfs/dbraw/zinc/64/20/21/831642021.db2.gz HPSLZKDYIWZYSI-ZDUSSCGKSA-N 1 3 344.423 -0.998 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821276 831688729 /nfs/dbraw/zinc/68/87/29/831688729.db2.gz GKYOCOSMTXOQPA-ZDUSSCGKSA-N 1 3 342.403 -0.387 20 0 EBADHO O=C([C@H]1CNCCN1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903252 831694903 /nfs/dbraw/zinc/69/49/03/831694903.db2.gz MWUBIFAMDJWUAM-QEORTHHSSA-N 1 3 349.410 -0.364 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514994 831757616 /nfs/dbraw/zinc/75/76/16/831757616.db2.gz NDKJJADLIDGQJJ-LBPRGKRZSA-N 1 3 332.412 -0.679 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)C1CCC1 ZINC001159997291 831802717 /nfs/dbraw/zinc/80/27/17/831802717.db2.gz KKQQGFPQPUUBFW-UHFFFAOYSA-N 1 3 346.497 -0.398 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160420950 831846770 /nfs/dbraw/zinc/84/67/70/831846770.db2.gz MMWDFYGKDQKPBD-HNNXBMFYSA-N 1 3 330.473 -0.179 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427350 831847868 /nfs/dbraw/zinc/84/78/68/831847868.db2.gz QJUZJMVSGYNWOI-ZDUSSCGKSA-N 1 3 329.445 -0.486 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001160425940 831848661 /nfs/dbraw/zinc/84/86/61/831848661.db2.gz AFADKCNJJJUSIC-AWEZNQCLSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001160426034 831848805 /nfs/dbraw/zinc/84/88/05/831848805.db2.gz CKUOHJAPAQJZEW-HOCLYGCPSA-N 1 3 342.484 -0.348 20 0 EBADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001160746857 831883045 /nfs/dbraw/zinc/88/30/45/831883045.db2.gz OCKRHJISOGJQCD-HIFRSBDPSA-N 1 3 326.441 -0.543 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160782026 831885500 /nfs/dbraw/zinc/88/55/00/831885500.db2.gz YRIQUXQCBZNMBZ-OVAAFMSASA-N 1 3 330.432 -0.162 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805331 831888200 /nfs/dbraw/zinc/88/82/00/831888200.db2.gz AMZXLFNPSUKHFY-OAHLLOKOSA-N 1 3 332.452 -0.519 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001160890149 831904008 /nfs/dbraw/zinc/90/40/08/831904008.db2.gz WQZAUIOJRZQXLY-GFCCVEGCSA-N 1 3 341.456 -0.247 20 0 EBADHO CN(C(=O)CN1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1)c1ccccc1 ZINC001160893819 831904153 /nfs/dbraw/zinc/90/41/53/831904153.db2.gz BQNBDGYORMCQLD-INIZCTEOSA-N 1 3 347.463 -0.140 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161251270 831941934 /nfs/dbraw/zinc/94/19/34/831941934.db2.gz LOQSCHLIRHKDBU-UHFFFAOYSA-N 1 3 329.445 -0.342 20 0 EBADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CNCc4ccnn4C3)C2)CC1 ZINC001161373310 831951972 /nfs/dbraw/zinc/95/19/72/831951972.db2.gz NYSNRGRJIAJBKT-CZUORRHYSA-N 1 3 332.452 -0.374 20 0 EBADHO N[C@H](C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001161601683 831977321 /nfs/dbraw/zinc/97/73/21/831977321.db2.gz JSWQNZVPTYSJAW-ZNMIVQPWSA-N 1 3 328.432 -0.416 20 0 EBADHO Cn1cc(CC[NH2+]CCCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)cn1 ZINC001162872026 832067162 /nfs/dbraw/zinc/06/71/62/832067162.db2.gz DINQMCGHYMHECB-UPTPFMHGSA-N 1 3 347.463 -0.078 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871987 832067249 /nfs/dbraw/zinc/06/72/49/832067249.db2.gz CKIFFUIGYJELAI-GLWUULTISA-N 1 3 337.449 -0.003 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162871987 832067254 /nfs/dbraw/zinc/06/72/54/832067254.db2.gz CKIFFUIGYJELAI-GLWUULTISA-N 1 3 337.449 -0.003 20 0 EBADHO Cn1cc(CC[NH2+]CCCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)cn1 ZINC001162872025 832067453 /nfs/dbraw/zinc/06/74/53/832067453.db2.gz DINQMCGHYMHECB-PQUAAJSLSA-N 1 3 347.463 -0.078 20 0 EBADHO Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872437 832068562 /nfs/dbraw/zinc/06/85/62/832068562.db2.gz RRPSXCYIWOFYQB-CXOJTPOUSA-N 1 3 334.424 -0.726 20 0 EBADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872107 832068651 /nfs/dbraw/zinc/06/86/51/832068651.db2.gz GWPKDSOPCMNTLQ-UUCFBXCCSA-N 1 3 338.452 -0.576 20 0 EBADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872242 832068993 /nfs/dbraw/zinc/06/89/93/832068993.db2.gz LHRQNCRLEGJYAD-GULBITTBSA-N 1 3 348.451 -0.243 20 0 EBADHO CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001162872626 832069685 /nfs/dbraw/zinc/06/96/85/832069685.db2.gz YNLGMKUJPZMNJD-YRTQGLMCSA-N 1 3 336.436 -0.824 20 0 EBADHO COc1c(NCc2nnn3c2CNCCC3)ncnc1C1C[NH2+]C1 ZINC001162971326 832073525 /nfs/dbraw/zinc/07/35/25/832073525.db2.gz BQGISAFDIDZDLL-UHFFFAOYSA-N 1 3 330.396 -0.131 20 0 EBADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001350033059 832107560 /nfs/dbraw/zinc/10/75/60/832107560.db2.gz UVKQYSWYAJHQCE-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001163821178 832142546 /nfs/dbraw/zinc/14/25/46/832142546.db2.gz LLUPOLNLFYNYIK-LLVKDONJSA-N 1 3 325.413 -0.848 20 0 EBADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001350340970 832155937 /nfs/dbraw/zinc/15/59/37/832155937.db2.gz GAUGWJRQUNBTML-DZGCQCFKSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001166010906 832246198 /nfs/dbraw/zinc/24/61/98/832246198.db2.gz UXYSLRCKAPYRLP-CYBMUJFWSA-N 1 3 327.429 -0.780 20 0 EBADHO COC(C)(C)[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001351593264 832256302 /nfs/dbraw/zinc/25/63/02/832256302.db2.gz POUXBADHSSHFHA-CYBMUJFWSA-N 1 3 330.473 -0.132 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166633329 832274719 /nfs/dbraw/zinc/27/47/19/832274719.db2.gz DHYPJDYYQPMJFZ-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001166627665 832275194 /nfs/dbraw/zinc/27/51/94/832275194.db2.gz ZAEBBQPYCYGTOZ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634187 832275638 /nfs/dbraw/zinc/27/56/38/832275638.db2.gz QGMSTVZMZASCBC-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634906 832276048 /nfs/dbraw/zinc/27/60/48/832276048.db2.gz YGMYNQONZQYJRP-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166634447 832276368 /nfs/dbraw/zinc/27/63/68/832276368.db2.gz SDIAVARUPIPBLJ-CYBMUJFWSA-N 1 3 334.424 -0.005 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708193 832282126 /nfs/dbraw/zinc/28/21/26/832282126.db2.gz NUGHUFAZLRRTHD-GHMZBOCLSA-N 1 3 340.453 -0.230 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001166708193 832282135 /nfs/dbraw/zinc/28/21/35/832282135.db2.gz NUGHUFAZLRRTHD-GHMZBOCLSA-N 1 3 340.453 -0.230 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765153 832286309 /nfs/dbraw/zinc/28/63/09/832286309.db2.gz URKWAQHBLPTCJY-HNNXBMFYSA-N 1 3 345.484 -0.162 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764603 832286559 /nfs/dbraw/zinc/28/65/59/832286559.db2.gz HHKZVLZUVNXQAA-UHFFFAOYSA-N 1 3 342.484 -0.033 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320864 832414302 /nfs/dbraw/zinc/41/43/02/832414302.db2.gz UFGWMERTUWGBOY-UHFFFAOYSA-N 1 3 341.456 -0.342 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001168755700 832434834 /nfs/dbraw/zinc/43/48/34/832434834.db2.gz QDQJVYPOXULVGJ-UHFFFAOYSA-N 1 3 328.442 -0.086 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001171238264 832553398 /nfs/dbraw/zinc/55/33/98/832553398.db2.gz SXVSZWGXGHQJGX-GFCCVEGCSA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001171261230 832554351 /nfs/dbraw/zinc/55/43/51/832554351.db2.gz RYJXTWDPFQYPNQ-LBPRGKRZSA-N 1 3 341.456 -0.070 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001171762786 832574889 /nfs/dbraw/zinc/57/48/89/832574889.db2.gz LBBOSWIMDBGSSV-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001175264263 832620094 /nfs/dbraw/zinc/62/00/94/832620094.db2.gz RNUWYVLAPOFSAE-CHWSQXEVSA-N 1 3 341.456 -0.212 20 0 EBADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001175317243 832621731 /nfs/dbraw/zinc/62/17/31/832621731.db2.gz NCJMBYXDJPZHGM-NEPJUHHUSA-N 1 3 329.445 -0.214 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001356438404 832628960 /nfs/dbraw/zinc/62/89/60/832628960.db2.gz OZRBFIVGHNGXLS-OAHLLOKOSA-N 1 3 339.484 -0.673 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948150 832715827 /nfs/dbraw/zinc/71/58/27/832715827.db2.gz INTHXDRQEUBUPP-UHFFFAOYSA-N 1 3 349.435 -0.087 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001176971743 832722384 /nfs/dbraw/zinc/72/23/84/832722384.db2.gz GSMZMFACWCVYMT-UHFFFAOYSA-N 1 3 328.442 -0.087 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001176975066 832722878 /nfs/dbraw/zinc/72/28/78/832722878.db2.gz JTYZLURHSVFKBC-CQSZACIVSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001176986134 832726199 /nfs/dbraw/zinc/72/61/99/832726199.db2.gz FVFGEJBGFTWMPN-GFCCVEGCSA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C)N(C)C ZINC001178985770 832938304 /nfs/dbraw/zinc/93/83/04/832938304.db2.gz XCVMTHCGDGIKBR-ZDEQEGDKSA-N 1 3 341.456 -0.250 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)[C@H]1CCCN1C ZINC001179303570 832968715 /nfs/dbraw/zinc/96/87/15/832968715.db2.gz HYSZWVRCKPIMBN-XUWVNRHRSA-N 1 3 335.452 -0.083 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435534 832977958 /nfs/dbraw/zinc/97/79/58/832977958.db2.gz UOQVOBMEJXKXAP-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472197 832981975 /nfs/dbraw/zinc/98/19/75/832981975.db2.gz IMMUUNUVBHDDGE-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001179481630 832982779 /nfs/dbraw/zinc/98/27/79/832982779.db2.gz KOCVPHZZXJDTNZ-AAEUAGOBSA-N 1 3 339.440 -0.495 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145055 834013304 /nfs/dbraw/zinc/01/33/04/834013304.db2.gz CMNFAQOGDJASAZ-QWHCGFSZSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158285 834017271 /nfs/dbraw/zinc/01/72/71/834017271.db2.gz KEAGGOVGIDVRDG-VXGBXAGGSA-N 1 3 327.429 -0.639 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001188158220 834017457 /nfs/dbraw/zinc/01/74/57/834017457.db2.gz ICPIYIUATJQLEH-CQSZACIVSA-N 1 3 346.497 -0.447 20 0 EBADHO CN1CC[C@H](N2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819853 834194713 /nfs/dbraw/zinc/19/47/13/834194713.db2.gz BEYUFTLRPLQOKG-SOUVJXGZSA-N 1 3 338.452 -0.672 20 0 EBADHO CN(CCOCCO)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221524 834246688 /nfs/dbraw/zinc/24/66/88/834246688.db2.gz DDIKZINZVVTVCU-HOTGVXAUSA-N 1 3 325.453 -0.130 20 0 EBADHO CO[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378199 837761578 /nfs/dbraw/zinc/76/15/78/837761578.db2.gz GZVFAPSPDSURSD-ARFHVFGLSA-N 1 3 343.468 -0.051 20 0 EBADHO COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293708 835075620 /nfs/dbraw/zinc/07/56/20/835075620.db2.gz ITUFASRQZVPAPO-CVEARBPZSA-N 1 3 345.484 -0.117 20 0 EBADHO COCCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293708 835075628 /nfs/dbraw/zinc/07/56/28/835075628.db2.gz ITUFASRQZVPAPO-CVEARBPZSA-N 1 3 345.484 -0.117 20 0 EBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865955 835302508 /nfs/dbraw/zinc/30/25/08/835302508.db2.gz RJQBQXQIPOHLNA-JKSUJKDBSA-N 1 3 325.453 -0.130 20 0 EBADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1 ZINC001197825989 835613776 /nfs/dbraw/zinc/61/37/76/835613776.db2.gz KLMSMBJVPMMMBZ-QDIHITRGSA-N 1 3 343.468 -0.459 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001199787523 835860604 /nfs/dbraw/zinc/86/06/04/835860604.db2.gz ARNXBRZNSDFLLS-ZDUSSCGKSA-N 1 3 332.470 -0.790 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001199826418 835866774 /nfs/dbraw/zinc/86/67/74/835866774.db2.gz KOMXDRKUDQMBMR-JKSUJKDBSA-N 1 3 335.452 -0.081 20 0 EBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200658502 836010459 /nfs/dbraw/zinc/01/04/59/836010459.db2.gz OPUPPVXIWCBISG-LSDHHAIUSA-N 1 3 338.452 -0.482 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201033536 836083890 /nfs/dbraw/zinc/08/38/90/836083890.db2.gz OBMGXQUKZJVCNP-GWUWNPHMSA-N 1 3 339.436 -0.951 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1)C(N)=O ZINC001201128222 836099238 /nfs/dbraw/zinc/09/92/38/836099238.db2.gz GCAGMJAJYDLXIM-ZIAGYGMSSA-N 1 3 340.468 -0.058 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201277602 836122162 /nfs/dbraw/zinc/12/21/62/836122162.db2.gz VEIMWAGGHIGOLK-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C1CC1 ZINC001201319068 836128562 /nfs/dbraw/zinc/12/85/62/836128562.db2.gz RNCBMVPKTKZHAD-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343393 836131935 /nfs/dbraw/zinc/13/19/35/836131935.db2.gz FKNBGODNPWQFJM-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201402126 836140157 /nfs/dbraw/zinc/14/01/57/836140157.db2.gz BCUZZGDDHKWRMS-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872185 836209423 /nfs/dbraw/zinc/20/94/23/836209423.db2.gz LVOZIFQISITPPC-UONOGXRCSA-N 1 3 338.452 -0.576 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201930616 836218848 /nfs/dbraw/zinc/21/88/48/836218848.db2.gz FLXNZSDRSZVLSN-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057147 836242790 /nfs/dbraw/zinc/24/27/90/836242790.db2.gz CWVCLATWPHQVSE-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057147 836242800 /nfs/dbraw/zinc/24/28/00/836242800.db2.gz CWVCLATWPHQVSE-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202133367 836259341 /nfs/dbraw/zinc/25/93/41/836259341.db2.gz FNTXKIJWBNVKAQ-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO NC(=O)CNC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147539 836261717 /nfs/dbraw/zinc/26/17/17/836261717.db2.gz HNFNJLPOAPWGMJ-AWEZNQCLSA-N 1 3 326.441 -0.445 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001202163616 836266046 /nfs/dbraw/zinc/26/60/46/836266046.db2.gz HQOPYOJPIROXKO-CABCVRRESA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001202354250 836293210 /nfs/dbraw/zinc/29/32/10/836293210.db2.gz XFDMJPVWKLEGMH-DGCLKSJQSA-N 1 3 341.456 -0.263 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001202991882 836376958 /nfs/dbraw/zinc/37/69/58/836376958.db2.gz TVJWDBIQYDZQPG-LLVKDONJSA-N 1 3 327.429 -0.508 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001203010352 836383206 /nfs/dbraw/zinc/38/32/06/836383206.db2.gz KRIJILKXVDCPKO-UHFFFAOYSA-N 1 3 348.513 -0.200 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001203925105 836488655 /nfs/dbraw/zinc/48/86/55/836488655.db2.gz KWLOCTWADMAJDY-UHFFFAOYSA-N 1 3 348.513 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001206890603 836694302 /nfs/dbraw/zinc/69/43/02/836694302.db2.gz ZJELZTBLBLKCST-UHFFFAOYSA-N 1 3 348.513 -0.294 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206953541 836727990 /nfs/dbraw/zinc/72/79/90/836727990.db2.gz QXDDJYAHLRLLHM-UHFFFAOYSA-N 1 3 327.429 -0.650 20 0 EBADHO COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687672 836845800 /nfs/dbraw/zinc/84/58/00/836845800.db2.gz ICXKHPRFVKAQST-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208014635 836922869 /nfs/dbraw/zinc/92/28/69/836922869.db2.gz RVNSMRFMQDDJBU-CHWSQXEVSA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208014635 836922876 /nfs/dbraw/zinc/92/28/76/836922876.db2.gz RVNSMRFMQDDJBU-CHWSQXEVSA-N 1 3 339.440 -0.365 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208279350 836980857 /nfs/dbraw/zinc/98/08/57/836980857.db2.gz OBHUDZZNJZJAPT-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208279350 836980861 /nfs/dbraw/zinc/98/08/61/836980861.db2.gz OBHUDZZNJZJAPT-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001208339948 836999637 /nfs/dbraw/zinc/99/96/37/836999637.db2.gz HLZFXNNISHMWFV-LLVKDONJSA-N 1 3 325.413 -0.754 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491411 837064729 /nfs/dbraw/zinc/06/47/29/837064729.db2.gz ILCBJSZHEVJTEF-GFCCVEGCSA-N 1 3 337.424 -0.610 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001209277729 837149708 /nfs/dbraw/zinc/14/97/08/837149708.db2.gz KHPLVLUQBWZXPY-CYBMUJFWSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209632921 837183585 /nfs/dbraw/zinc/18/35/85/837183585.db2.gz PBLGPNNASBFCGS-NWDGAFQWSA-N 1 3 325.413 -0.754 20 0 EBADHO CNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210061042 837232124 /nfs/dbraw/zinc/23/21/24/837232124.db2.gz MXBWWVFYWLCFHW-AWEZNQCLSA-N 1 3 336.440 -0.615 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217274 837256312 /nfs/dbraw/zinc/25/63/12/837256312.db2.gz GBXCGYONQBFQAT-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210217153 837256608 /nfs/dbraw/zinc/25/66/08/837256608.db2.gz DKUTZOROSQVALH-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210221328 837256674 /nfs/dbraw/zinc/25/66/74/837256674.db2.gz ZSAMIHZKLAJNOI-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210217834 837257122 /nfs/dbraw/zinc/25/71/22/837257122.db2.gz MLHDRGMAYMUZNT-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338767 837273383 /nfs/dbraw/zinc/27/33/83/837273383.db2.gz INJSATKXMWCAEP-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001210784285 837331360 /nfs/dbraw/zinc/33/13/60/837331360.db2.gz XOTUUOAHSWPMCX-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001210784285 837331369 /nfs/dbraw/zinc/33/13/69/837331369.db2.gz XOTUUOAHSWPMCX-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210789005 837331575 /nfs/dbraw/zinc/33/15/75/837331575.db2.gz LRRYTGLGPPAAMA-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CS(=O)(=O)NCCNC/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065934 838896803 /nfs/dbraw/zinc/89/68/03/838896803.db2.gz WZIKIAFRXRUHAF-BAABZTOOSA-N 1 3 344.481 -0.861 20 0 EBADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418025 838988225 /nfs/dbraw/zinc/98/82/25/838988225.db2.gz XHZIYWDYHBGQFZ-DHCBQETCSA-N 1 3 339.440 -0.292 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001322796781 839265888 /nfs/dbraw/zinc/26/58/88/839265888.db2.gz QNYKJLJZANJMOG-CYBMUJFWSA-N 1 3 329.445 -0.534 20 0 EBADHO CN(CC(=O)N[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013762 839321964 /nfs/dbraw/zinc/32/19/64/839321964.db2.gz DXWSNFFUWTVRCB-KBPBESRZSA-N 1 3 336.436 -0.240 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC001327669898 840489788 /nfs/dbraw/zinc/48/97/88/840489788.db2.gz AIBDQFYAHOZPNI-WMLDXEAASA-N 1 3 340.468 -0.567 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001327956840 840556611 /nfs/dbraw/zinc/55/66/11/840556611.db2.gz GTPNKUQMTZOCGW-KBPBESRZSA-N 1 3 348.513 -0.298 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCCCCN2CCN(CCO)CC2)C1 ZINC001328503175 840690596 /nfs/dbraw/zinc/69/05/96/840690596.db2.gz HCGHKRKAUVCHOR-MRXNPFEDSA-N 1 3 326.485 -0.166 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCCCCN2CCN(CCO)CC2)C1 ZINC001328503175 840690598 /nfs/dbraw/zinc/69/05/98/840690598.db2.gz HCGHKRKAUVCHOR-MRXNPFEDSA-N 1 3 326.485 -0.166 20 0 EBADHO O=C(NC[C@@H]1COCCN1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001328959152 840798547 /nfs/dbraw/zinc/79/85/47/840798547.db2.gz JXHLDXCKOBCMMJ-LLVKDONJSA-N 1 3 330.348 -0.690 20 0 EBADHO O=C(NC[C@@H]1COCCN1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001329047267 840824917 /nfs/dbraw/zinc/82/49/17/840824917.db2.gz HDODLCZAATWMRU-GFCCVEGCSA-N 1 3 330.348 -0.690 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC001330209096 841143632 /nfs/dbraw/zinc/14/36/32/841143632.db2.gz NOSGKADQAQVVTG-ZIAGYGMSSA-N 1 3 328.457 -0.521 20 0 EBADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330528189 841229215 /nfs/dbraw/zinc/22/92/15/841229215.db2.gz KEBPEBZGAMSRAA-DZGCQCFKSA-N 1 3 338.452 -0.528 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)CC1 ZINC001331193652 841368182 /nfs/dbraw/zinc/36/81/82/841368182.db2.gz XAPWLGOBWPJRTI-HNNXBMFYSA-N 1 3 337.468 -0.922 20 0 EBADHO CN1CCN(CCCCNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001331558297 841425402 /nfs/dbraw/zinc/42/54/02/841425402.db2.gz BNXGVGQHTFZBFG-UHFFFAOYSA-N 1 3 327.473 -0.179 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C[C@@H]21 ZINC001332001808 841547039 /nfs/dbraw/zinc/54/70/39/841547039.db2.gz WYTSSSKCRWAKLU-DBIOUOCHSA-N 1 3 334.342 -0.503 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001333121270 841799135 /nfs/dbraw/zinc/79/91/35/841799135.db2.gz RURFYUIOPRLJMX-IYXRBSQSSA-N 1 3 346.497 -0.544 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001333961378 841976248 /nfs/dbraw/zinc/97/62/48/841976248.db2.gz UWEFYCOWXJPRHA-KGLIPLIRSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001335195889 842220510 /nfs/dbraw/zinc/22/05/10/842220510.db2.gz DLZGOQWBBGVZCT-HUUCEWRRSA-N 1 3 339.484 -0.817 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)CN1CCN(C)CC1 ZINC001335777900 842353754 /nfs/dbraw/zinc/35/37/54/842353754.db2.gz LDKIDNFUWPUPDY-RRFJBIMHSA-N 1 3 339.484 -0.961 20 0 EBADHO COC[C@@]1(C(=O)NCCCC[NH+]2CCN(C)CC2)CNCCO1 ZINC001336721664 842537934 /nfs/dbraw/zinc/53/79/34/842537934.db2.gz NUYCOTRPQACHDM-MRXNPFEDSA-N 1 3 328.457 -0.865 20 0 EBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001340075168 842968576 /nfs/dbraw/zinc/96/85/76/842968576.db2.gz MZGXVQHPZNAIAV-MCIONIFRSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340206286 842981546 /nfs/dbraw/zinc/98/15/46/842981546.db2.gz QTKKWMXSZABIOJ-WWGRRREGSA-N 1 3 326.441 -0.842 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC001343313509 843219564 /nfs/dbraw/zinc/21/95/64/843219564.db2.gz YTDGNTBBLGIRGM-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001345944378 843464532 /nfs/dbraw/zinc/46/45/32/843464532.db2.gz ICCZIDMORZWIHF-RRFJBIMHSA-N 1 3 337.468 -0.861 20 0 EBADHO C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@H]1CN(C)CCN1C ZINC001346766432 843550348 /nfs/dbraw/zinc/55/03/48/843550348.db2.gz INFQVVPAFRLGKL-HZPDHXFCSA-N 1 3 342.532 -0.197 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1)N(C)C ZINC001687169659 1125794503 /nfs/dbraw/zinc/79/45/03/1125794503.db2.gz IIYVRUBRPPEVAT-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001691278010 1125847552 /nfs/dbraw/zinc/84/75/52/1125847552.db2.gz PVZHNSBFLDMJBD-KBPBESRZSA-N 1 3 326.441 -0.888 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001481231469 1125948457 /nfs/dbraw/zinc/94/84/57/1125948457.db2.gz BVVHNBAEXRQSCG-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001481231469 1125948458 /nfs/dbraw/zinc/94/84/58/1125948458.db2.gz BVVHNBAEXRQSCG-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001481246956 1125951995 /nfs/dbraw/zinc/95/19/95/1125951995.db2.gz DAPGGMGDGFQPLZ-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO O=C(NCC[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455606 1125993417 /nfs/dbraw/zinc/99/34/17/1125993417.db2.gz BIHPRWCKHRWLOU-ZIAGYGMSSA-N 1 3 348.447 -0.284 20 0 EBADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)C(=O)NC(N)=O ZINC001481880480 1126063929 /nfs/dbraw/zinc/06/39/29/1126063929.db2.gz FMMWJGWMSPLBPT-OLZOCXBDSA-N 1 3 341.456 -0.070 20 0 EBADHO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482291691 1126121053 /nfs/dbraw/zinc/12/10/53/1126121053.db2.gz LZDMCDYUFQYAHA-CYBMUJFWSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001482731444 1126262225 /nfs/dbraw/zinc/26/22/25/1126262225.db2.gz ULIRRWVKSGJJFE-SOUVJXGZSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001482731444 1126262226 /nfs/dbraw/zinc/26/22/26/1126262226.db2.gz ULIRRWVKSGJJFE-SOUVJXGZSA-N 1 3 340.468 -0.594 20 0 EBADHO COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728159 1126268152 /nfs/dbraw/zinc/26/81/52/1126268152.db2.gz FKTDTYPJFDMTNL-HZPDHXFCSA-N 1 3 348.447 -0.001 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762363 1126280636 /nfs/dbraw/zinc/28/06/36/1126280636.db2.gz OSNYYUOLQSEBNX-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001482762363 1126280638 /nfs/dbraw/zinc/28/06/38/1126280638.db2.gz OSNYYUOLQSEBNX-LSDHHAIUSA-N 1 3 340.468 -0.593 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775532 1126285493 /nfs/dbraw/zinc/28/54/93/1126285493.db2.gz RUWPBLZNAQOFCP-CABCVRRESA-N 1 3 340.468 -0.405 20 0 EBADHO C[C@H](NC[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784805 1126290083 /nfs/dbraw/zinc/29/00/83/1126290083.db2.gz MRYWSWLNGCFQKK-FZMZJTMJSA-N 1 3 326.441 -0.951 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950329 1126306207 /nfs/dbraw/zinc/30/62/07/1126306207.db2.gz NGYYLBQZJREGQJ-OAHLLOKOSA-N 1 3 340.468 -0.375 20 0 EBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950329 1126306208 /nfs/dbraw/zinc/30/62/08/1126306208.db2.gz NGYYLBQZJREGQJ-OAHLLOKOSA-N 1 3 340.468 -0.375 20 0 EBADHO CCN(CCNCC(=O)NC(N)=O)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482969393 1126307698 /nfs/dbraw/zinc/30/76/98/1126307698.db2.gz FYEIFJWDBYXHCG-TXEJJXNPSA-N 1 3 327.429 -0.508 20 0 EBADHO CCN(CCNCC(=O)NC(N)=O)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001482969393 1126307699 /nfs/dbraw/zinc/30/76/99/1126307699.db2.gz FYEIFJWDBYXHCG-TXEJJXNPSA-N 1 3 327.429 -0.508 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCOC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556860 1126321710 /nfs/dbraw/zinc/32/17/10/1126321710.db2.gz ZLPXCRFLRIJRHZ-CABCVRRESA-N 1 3 340.468 -0.471 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCOC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691556860 1126321712 /nfs/dbraw/zinc/32/17/12/1126321712.db2.gz ZLPXCRFLRIJRHZ-CABCVRRESA-N 1 3 340.468 -0.471 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001483138930 1126345388 /nfs/dbraw/zinc/34/53/88/1126345388.db2.gz RUKZKLUQOIXLFQ-AGIUHOORSA-N 1 3 343.472 -0.099 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156181 1126348131 /nfs/dbraw/zinc/34/81/31/1126348131.db2.gz KGZIRYVDNKQJHT-MNOVXSKESA-N 1 3 327.429 -0.462 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001483145565 1126346668 /nfs/dbraw/zinc/34/66/68/1126346668.db2.gz QUFGXSFBCDIVFY-GHMZBOCLSA-N 1 3 325.413 -0.708 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001483185734 1126351544 /nfs/dbraw/zinc/35/15/44/1126351544.db2.gz TVIBUBGUWOKXKA-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](NCc1cnnn1C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001409382724 1126361061 /nfs/dbraw/zinc/36/10/61/1126361061.db2.gz IPESKHMJTLXLSS-OLZOCXBDSA-N 1 3 348.455 -0.130 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483260077 1126411475 /nfs/dbraw/zinc/41/14/75/1126411475.db2.gz YVRQJHJQPZKICH-CYDGBPFRSA-N 1 3 341.456 -0.345 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483260077 1126411476 /nfs/dbraw/zinc/41/14/76/1126411476.db2.gz YVRQJHJQPZKICH-CYDGBPFRSA-N 1 3 341.456 -0.345 20 0 EBADHO CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)CN(C)C1CCC1 ZINC001483470021 1126429302 /nfs/dbraw/zinc/42/93/02/1126429302.db2.gz GYYKTCMDDWKBBN-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483417534 1126426108 /nfs/dbraw/zinc/42/61/08/1126426108.db2.gz MHNYTFMHVUJDDV-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483417534 1126426110 /nfs/dbraw/zinc/42/61/10/1126426110.db2.gz MHNYTFMHVUJDDV-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001483499529 1126431324 /nfs/dbraw/zinc/43/13/24/1126431324.db2.gz PISRBCSUFXSXID-UHFFFAOYSA-N 1 3 327.429 -0.649 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513143 1126600719 /nfs/dbraw/zinc/60/07/19/1126600719.db2.gz MEIBMNTVFBRYMY-KBPBESRZSA-N 1 3 331.482 -0.047 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484683196 1126621018 /nfs/dbraw/zinc/62/10/18/1126621018.db2.gz APHYGZSLPJKEIJ-OAHLLOKOSA-N 1 3 348.447 -0.293 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686654 1126621643 /nfs/dbraw/zinc/62/16/43/1126621643.db2.gz AFDHVLUGTAYSEO-GXTWGEPZSA-N 1 3 326.441 -0.578 20 0 EBADHO CN1CC[C@@H](NC[C@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695207 1126624526 /nfs/dbraw/zinc/62/45/26/1126624526.db2.gz ABZBOQKNSZGRDN-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)N(C)CC)C1 ZINC001484696926 1126624951 /nfs/dbraw/zinc/62/49/51/1126624951.db2.gz QXTIPPCCLPRVDO-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CNC(=O)CNCC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484864735 1126647059 /nfs/dbraw/zinc/64/70/59/1126647059.db2.gz MYAUPZCMLBYCQQ-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO CNC(=O)CNCC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001484864735 1126647062 /nfs/dbraw/zinc/64/70/62/1126647062.db2.gz MYAUPZCMLBYCQQ-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1 ZINC001484905428 1126652019 /nfs/dbraw/zinc/65/20/19/1126652019.db2.gz NVFRBMUDZDBQDL-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1 ZINC001484905428 1126652020 /nfs/dbraw/zinc/65/20/20/1126652020.db2.gz NVFRBMUDZDBQDL-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484955287 1126658390 /nfs/dbraw/zinc/65/83/90/1126658390.db2.gz XSSLABQGADNMLK-ZIAGYGMSSA-N 1 3 340.468 -0.594 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484955287 1126658391 /nfs/dbraw/zinc/65/83/91/1126658391.db2.gz XSSLABQGADNMLK-ZIAGYGMSSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCCS(C)(=O)=O)C1 ZINC001485645397 1126788997 /nfs/dbraw/zinc/78/89/97/1126788997.db2.gz FISJPTOFQPXGRS-ZIAGYGMSSA-N 1 3 349.497 -0.422 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCCS(C)(=O)=O)C1 ZINC001485645397 1126789000 /nfs/dbraw/zinc/78/90/00/1126789000.db2.gz FISJPTOFQPXGRS-ZIAGYGMSSA-N 1 3 349.497 -0.422 20 0 EBADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001485686357 1126799821 /nfs/dbraw/zinc/79/98/21/1126799821.db2.gz RDMQLAZNIQNTDM-JOCQHMNTSA-N 1 3 331.482 0.000 20 0 EBADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCCNS(C)(=O)=O ZINC001485895571 1126910831 /nfs/dbraw/zinc/91/08/31/1126910831.db2.gz MVEMWEMZXOYWDD-CYBMUJFWSA-N 1 3 346.497 -0.400 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219183 1127063868 /nfs/dbraw/zinc/06/38/68/1127063868.db2.gz RNFQUNDKNGYFQR-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CN(CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)C1CCC1 ZINC001486235174 1127071770 /nfs/dbraw/zinc/07/17/70/1127071770.db2.gz SUDFBFPVUIJNTB-GFCCVEGCSA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284352 1127081247 /nfs/dbraw/zinc/08/12/47/1127081247.db2.gz HGWPTOYVUNEZQI-UONOGXRCSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302884 1127107290 /nfs/dbraw/zinc/10/72/90/1127107290.db2.gz HDXPAMGCDPFLCJ-LSDHHAIUSA-N 1 3 340.468 -0.642 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001486317384 1127119289 /nfs/dbraw/zinc/11/92/89/1127119289.db2.gz HEUKBBKSBUIVIU-UKRRQHHQSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)c1nc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001486317341 1127119354 /nfs/dbraw/zinc/11/93/54/1127119354.db2.gz NUICZIDBTVOCTD-STQMWFEESA-N 1 3 338.456 -0.211 20 0 EBADHO CC(C)c1nc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001486317341 1127119357 /nfs/dbraw/zinc/11/93/57/1127119357.db2.gz NUICZIDBTVOCTD-STQMWFEESA-N 1 3 338.456 -0.211 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486317859 1127120303 /nfs/dbraw/zinc/12/03/03/1127120303.db2.gz RIIUSPFNLDBXKZ-HIFRSBDPSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486317859 1127120307 /nfs/dbraw/zinc/12/03/07/1127120307.db2.gz RIIUSPFNLDBXKZ-HIFRSBDPSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001486310885 1127123613 /nfs/dbraw/zinc/12/36/13/1127123613.db2.gz NKYXTPNYDKXUFM-KGLIPLIRSA-N 1 3 344.500 -0.150 20 0 EBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001410514658 1127732296 /nfs/dbraw/zinc/73/22/96/1127732296.db2.gz VKKPZDWKJMTXJB-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001410514684 1127732319 /nfs/dbraw/zinc/73/23/19/1127732319.db2.gz VKKPZDWKJMTXJB-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CCCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001410984597 1127960682 /nfs/dbraw/zinc/96/06/82/1127960682.db2.gz MQSLAAVVEQZDEE-NSHDSACASA-N 1 3 327.429 -0.650 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001410998246 1127967325 /nfs/dbraw/zinc/96/73/25/1127967325.db2.gz APPCQCKKKKWGAJ-MWLCHTKSSA-N 1 3 347.341 -0.075 20 0 EBADHO CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001411075348 1128003489 /nfs/dbraw/zinc/00/34/89/1128003489.db2.gz BGYHUZAQFYGYBD-SOUVJXGZSA-N 1 3 342.484 -0.348 20 0 EBADHO CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001411075348 1128003494 /nfs/dbraw/zinc/00/34/94/1128003494.db2.gz BGYHUZAQFYGYBD-SOUVJXGZSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1)[NH+](C)C ZINC001411085160 1128009019 /nfs/dbraw/zinc/00/90/19/1128009019.db2.gz OUSGRCBOKXNNTE-UKRRQHHQSA-N 1 3 328.457 -0.786 20 0 EBADHO CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001411098282 1128015250 /nfs/dbraw/zinc/01/52/50/1128015250.db2.gz NXLIHDAIXGUILC-UONOGXRCSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)CC(C)(C)C ZINC001411105770 1128017847 /nfs/dbraw/zinc/01/78/47/1128017847.db2.gz UWDMFTSGFFVZGK-KBPBESRZSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CC(NCCS(C)(=O)=O)C1 ZINC001411243412 1128103043 /nfs/dbraw/zinc/10/30/43/1128103043.db2.gz CORONVOJZPYDMA-UHFFFAOYSA-N 1 3 331.482 -0.048 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091952274 1128172083 /nfs/dbraw/zinc/17/20/83/1128172083.db2.gz GSSPJZIQJIZZLT-CPUCHLNUSA-N 1 3 338.452 -0.639 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091952274 1128172090 /nfs/dbraw/zinc/17/20/90/1128172090.db2.gz GSSPJZIQJIZZLT-CPUCHLNUSA-N 1 3 338.452 -0.639 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001488370072 1128707850 /nfs/dbraw/zinc/70/78/50/1128707850.db2.gz NJZANNAMUZFQAI-KBPBESRZSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001488370072 1128707854 /nfs/dbraw/zinc/70/78/54/1128707854.db2.gz NJZANNAMUZFQAI-KBPBESRZSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001489353969 1128965412 /nfs/dbraw/zinc/96/54/12/1128965412.db2.gz UPJDFYOYEIQWCN-KBUPBQIOSA-N 1 3 340.468 -0.645 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001489353969 1128965416 /nfs/dbraw/zinc/96/54/16/1128965416.db2.gz UPJDFYOYEIQWCN-KBUPBQIOSA-N 1 3 340.468 -0.645 20 0 EBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489391979 1128975299 /nfs/dbraw/zinc/97/52/99/1128975299.db2.gz SCKOIXBKGPFWER-RRFJBIMHSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1)[NH+](C)C ZINC001489591194 1129021319 /nfs/dbraw/zinc/02/13/19/1129021319.db2.gz DVWYTVMGDOHCQS-YCPHGPKFSA-N 1 3 342.484 -0.399 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@H](NCC(=O)NC(N)=O)C2CC2)CC1 ZINC001490700860 1129249926 /nfs/dbraw/zinc/24/99/26/1129249926.db2.gz OBWPSMBHHVPLJX-GFCCVEGCSA-N 1 3 325.413 -0.993 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001414057484 1131365826 /nfs/dbraw/zinc/36/58/26/1131365826.db2.gz YTQCOSJQFRIJDI-IJEWVQPXSA-N 1 3 342.484 -0.399 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557651 1130528249 /nfs/dbraw/zinc/52/82/49/1130528249.db2.gz HCIRTCYNVUKYGT-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC)C1 ZINC001491557651 1130528252 /nfs/dbraw/zinc/52/82/52/1130528252.db2.gz HCIRTCYNVUKYGT-OLZOCXBDSA-N 1 3 341.456 -0.342 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C2=CCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001363514424 1131985663 /nfs/dbraw/zinc/98/56/63/1131985663.db2.gz USIJVVOOUKKEQG-ZIAGYGMSSA-N 1 3 329.466 -0.461 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001365818660 1132817588 /nfs/dbraw/zinc/81/75/88/1132817588.db2.gz JUJWGRIUHFFNOF-TUAOUCFPSA-N 1 3 327.429 -0.733 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001365832297 1132823102 /nfs/dbraw/zinc/82/31/02/1132823102.db2.gz YRUBILQNYBUPKM-TXEJJXNPSA-N 1 3 327.429 -0.733 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001365845932 1132830603 /nfs/dbraw/zinc/83/06/03/1132830603.db2.gz NQUSTWPQQHAXHD-AVGNSLFASA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001365856165 1132835294 /nfs/dbraw/zinc/83/52/94/1132835294.db2.gz ATHHIRIMWXFDLY-OUCADQQQSA-N 1 3 341.456 -0.358 20 0 EBADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001365882622 1132861114 /nfs/dbraw/zinc/86/11/14/1132861114.db2.gz FYTFHQJEIMJQQV-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221734 1133062241 /nfs/dbraw/zinc/06/22/41/1133062241.db2.gz ZKSUUWMPBYPFGT-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)N(C)C ZINC001366238204 1133070424 /nfs/dbraw/zinc/07/04/24/1133070424.db2.gz YHZOEHLIVSACSO-UHDSXZAQSA-N 1 3 349.479 -0.123 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)N(C)C ZINC001366238204 1133070428 /nfs/dbraw/zinc/07/04/28/1133070428.db2.gz YHZOEHLIVSACSO-UHDSXZAQSA-N 1 3 349.479 -0.123 20 0 EBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001366289612 1133086806 /nfs/dbraw/zinc/08/68/06/1133086806.db2.gz SLSJALXIWKLBJO-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(=O)NC1CC1 ZINC001366339179 1133103994 /nfs/dbraw/zinc/10/39/94/1133103994.db2.gz CAQAVWIZURUSRG-NSHDSACASA-N 1 3 337.424 -0.835 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001366365730 1133113929 /nfs/dbraw/zinc/11/39/29/1133113929.db2.gz KUYLHPUGZWRKCV-ZIAGYGMSSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001366367234 1133114096 /nfs/dbraw/zinc/11/40/96/1133114096.db2.gz WFRBMFHDNLKHNP-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001366385162 1133123534 /nfs/dbraw/zinc/12/35/34/1133123534.db2.gz GRLPWLHFLBTJMF-ZDUSSCGKSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482454 1133156598 /nfs/dbraw/zinc/15/65/98/1133156598.db2.gz FYYASTAYMAQZEZ-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001367392821 1133575809 /nfs/dbraw/zinc/57/58/09/1133575809.db2.gz CTVAGLGVAOITCP-LBPRGKRZSA-N 1 3 327.429 -0.650 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCS(C)(=O)=O ZINC001367434761 1133588856 /nfs/dbraw/zinc/58/88/56/1133588856.db2.gz QLDVPUWWSDWOAE-YPMHNXCESA-N 1 3 328.438 -0.177 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001367600999 1133678156 /nfs/dbraw/zinc/67/81/56/1133678156.db2.gz MDCWKYBVUQIGDQ-AEGPPILISA-N 1 3 340.468 -0.690 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001367600999 1133678159 /nfs/dbraw/zinc/67/81/59/1133678159.db2.gz MDCWKYBVUQIGDQ-AEGPPILISA-N 1 3 340.468 -0.690 20 0 EBADHO C[C@@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001367602819 1133680363 /nfs/dbraw/zinc/68/03/63/1133680363.db2.gz PULWWBJMHMDSEI-CABCVRRESA-N 1 3 342.484 -0.204 20 0 EBADHO C[C@H](CNCC(=O)NC1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367706479 1133754244 /nfs/dbraw/zinc/75/42/44/1133754244.db2.gz NDBAOTYYHIWSLQ-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](CNCC(=O)NC1CCOCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367706479 1133754249 /nfs/dbraw/zinc/75/42/49/1133754249.db2.gz NDBAOTYYHIWSLQ-ZIAGYGMSSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001367777448 1133780935 /nfs/dbraw/zinc/78/09/35/1133780935.db2.gz UYEDZBKLMFEHLC-KBPBESRZSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001368109753 1133942317 /nfs/dbraw/zinc/94/23/17/1133942317.db2.gz SQNGIOASCPPERQ-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163728 1133972973 /nfs/dbraw/zinc/97/29/73/1133972973.db2.gz AGEQVVOIKAREJL-IAQYHMDHSA-N 1 3 325.413 -0.896 20 0 EBADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCOCC1 ZINC001368232485 1134001121 /nfs/dbraw/zinc/00/11/21/1134001121.db2.gz QHKAELNIIMORNG-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368332330 1134153501 /nfs/dbraw/zinc/15/35/01/1134153501.db2.gz HUDKMZDXKVMKKI-NWDGAFQWSA-N 1 3 328.438 -0.177 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368341683 1134155859 /nfs/dbraw/zinc/15/58/59/1134155859.db2.gz QYBIBARHKDDNIF-VXGBXAGGSA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523282 1134273780 /nfs/dbraw/zinc/27/37/80/1134273780.db2.gz XLSRKVKNAIVBGF-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001368633519 1134346099 /nfs/dbraw/zinc/34/60/99/1134346099.db2.gz KVKGJVBODDHIQG-ZDUSSCGKSA-N 1 3 328.457 -0.284 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001368653599 1134357095 /nfs/dbraw/zinc/35/70/95/1134357095.db2.gz FGOLAUFRSCDDBB-QWHCGFSZSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)NCC(=O)N(C)C ZINC001368889186 1134476292 /nfs/dbraw/zinc/47/62/92/1134476292.db2.gz NVUZMVUKJFAMNM-QWHCGFSZSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001369146674 1134591175 /nfs/dbraw/zinc/59/11/75/1134591175.db2.gz HERFLVHBSVNRSG-LUKYLMHMSA-N 1 3 349.479 -0.122 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001369146674 1134591179 /nfs/dbraw/zinc/59/11/79/1134591179.db2.gz HERFLVHBSVNRSG-LUKYLMHMSA-N 1 3 349.479 -0.122 20 0 EBADHO C[C@H](NCC(=O)N(C)C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158609 1134599363 /nfs/dbraw/zinc/59/93/63/1134599363.db2.gz NAJGTBTYPRKAJA-KBPBESRZSA-N 1 3 338.452 -0.624 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158412 1134599674 /nfs/dbraw/zinc/59/96/74/1134599674.db2.gz JGKQQNGYNPBYIO-UONOGXRCSA-N 1 3 338.452 -0.447 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277808 1134638197 /nfs/dbraw/zinc/63/81/97/1134638197.db2.gz PCCANELFOWXVTM-NEPJUHHUSA-N 1 3 329.445 -0.391 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406771 1134763970 /nfs/dbraw/zinc/76/39/70/1134763970.db2.gz RCBOPFRVOAXXDA-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443781 1134783391 /nfs/dbraw/zinc/78/33/91/1134783391.db2.gz RGJJMPDVALRQJP-VXGBXAGGSA-N 1 3 341.456 -0.262 20 0 EBADHO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)CN(C)C1CCC1 ZINC001369471985 1134826019 /nfs/dbraw/zinc/82/60/19/1134826019.db2.gz LBYCUYZZZUUMEV-HNNXBMFYSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@H](NC[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490456 1134863727 /nfs/dbraw/zinc/86/37/27/1134863727.db2.gz PLCWOLFHOUMVRH-GJZGRUSLSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)N(C)C ZINC001370650798 1135453189 /nfs/dbraw/zinc/45/31/89/1135453189.db2.gz PWLWBLTWVOKWRY-APIJFGDWSA-N 1 3 340.468 -0.284 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370713897 1135536357 /nfs/dbraw/zinc/53/63/57/1135536357.db2.gz PKKDCJUHJKCINQ-NTZNESFSSA-N 1 3 327.429 -0.735 20 0 EBADHO CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370804069 1135646616 /nfs/dbraw/zinc/64/66/16/1135646616.db2.gz HHXLZYQROIEFJX-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001371198767 1135862514 /nfs/dbraw/zinc/86/25/14/1135862514.db2.gz BCUQRJCQGRSMOQ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001371198767 1135862517 /nfs/dbraw/zinc/86/25/17/1135862517.db2.gz BCUQRJCQGRSMOQ-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001371510222 1135940574 /nfs/dbraw/zinc/94/05/74/1135940574.db2.gz LBNHXJUDMUGXOP-QWRGUYRKSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001371531478 1135955568 /nfs/dbraw/zinc/95/55/68/1135955568.db2.gz UPJDFYOYEIQWCN-TUVASFSCSA-N 1 3 340.468 -0.645 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001371531478 1135955569 /nfs/dbraw/zinc/95/55/69/1135955569.db2.gz UPJDFYOYEIQWCN-TUVASFSCSA-N 1 3 340.468 -0.645 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C1 ZINC001371539522 1135961582 /nfs/dbraw/zinc/96/15/82/1135961582.db2.gz ZWPFSQCSPUDQNG-ILXRZTDVSA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@@H](O)C1 ZINC001371539522 1135961579 /nfs/dbraw/zinc/96/15/79/1135961579.db2.gz ZWPFSQCSPUDQNG-ILXRZTDVSA-N 1 3 342.484 -0.254 20 0 EBADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001371539708 1135962028 /nfs/dbraw/zinc/96/20/28/1135962028.db2.gz XAQYZBGGRYMDSG-AWEZNQCLSA-N 1 3 340.468 -0.188 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001372937610 1136331701 /nfs/dbraw/zinc/33/17/01/1136331701.db2.gz IWRSSPXQRZXMSW-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001372937610 1136331703 /nfs/dbraw/zinc/33/17/03/1136331703.db2.gz IWRSSPXQRZXMSW-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)NC(N)=O ZINC001374044572 1136612872 /nfs/dbraw/zinc/61/28/72/1136612872.db2.gz BZCZNFLWDVBBAI-NSHDSACASA-N 1 3 327.429 -0.602 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001374253130 1136658966 /nfs/dbraw/zinc/65/89/66/1136658966.db2.gz PKCUZRAPVBOCDC-DGCLKSJQSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374385301 1136680972 /nfs/dbraw/zinc/68/09/72/1136680972.db2.gz OOELZXZZSKZURJ-NWDGAFQWSA-N 1 3 327.429 -0.652 20 0 EBADHO NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606765 1136742391 /nfs/dbraw/zinc/74/23/91/1136742391.db2.gz TVPMPWNBULCYPE-GXTWGEPZSA-N 1 3 326.441 -0.807 20 0 EBADHO NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001374606765 1136742395 /nfs/dbraw/zinc/74/23/95/1136742395.db2.gz TVPMPWNBULCYPE-GXTWGEPZSA-N 1 3 326.441 -0.807 20 0 EBADHO NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606768 1136742461 /nfs/dbraw/zinc/74/24/61/1136742461.db2.gz TVPMPWNBULCYPE-TZMCWYRMSA-N 1 3 326.441 -0.807 20 0 EBADHO NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001374606768 1136742465 /nfs/dbraw/zinc/74/24/65/1136742465.db2.gz TVPMPWNBULCYPE-TZMCWYRMSA-N 1 3 326.441 -0.807 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C ZINC001374617790 1136752220 /nfs/dbraw/zinc/75/22/20/1136752220.db2.gz WONPAWSONIHAGG-KGLIPLIRSA-N 1 3 342.484 -0.158 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C ZINC001374617790 1136752223 /nfs/dbraw/zinc/75/22/23/1136752223.db2.gz WONPAWSONIHAGG-KGLIPLIRSA-N 1 3 342.484 -0.158 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001374654245 1136777990 /nfs/dbraw/zinc/77/79/90/1136777990.db2.gz WZISULMWTYRIKL-LSDHHAIUSA-N 1 3 342.484 -0.158 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001374681661 1136798219 /nfs/dbraw/zinc/79/82/19/1136798219.db2.gz DVLYLJSXRNWVIO-CABCVRRESA-N 1 3 340.468 -0.453 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780851 1136831070 /nfs/dbraw/zinc/83/10/70/1136831070.db2.gz SCJWUPSUHCSNTC-NEPJUHHUSA-N 1 3 339.440 -0.447 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374906550 1136870746 /nfs/dbraw/zinc/87/07/46/1136870746.db2.gz PMJQSPJQHPQHMB-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643545231 375891449 /nfs/dbraw/zinc/89/14/49/375891449.db2.gz PQWKKBQNMMKVIH-XGUBFFRZSA-N 1 3 338.452 -0.354 20 0 EBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)C2)C1 ZINC000643593602 375922752 /nfs/dbraw/zinc/92/27/52/375922752.db2.gz XUKWALGDHZRFLQ-MPGHIAIKSA-N 1 3 334.464 -0.001 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642773225 376094147 /nfs/dbraw/zinc/09/41/47/376094147.db2.gz BUXJCRYHMGMGPD-MGPQQGTHSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000642782928 376121088 /nfs/dbraw/zinc/12/10/88/376121088.db2.gz GWHQDLCQQVLADG-ZDUSSCGKSA-N 1 3 336.436 -0.251 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785920 376143416 /nfs/dbraw/zinc/14/34/16/376143416.db2.gz QRYLAMDJXVTDRK-IACUBPJLSA-N 1 3 338.452 -0.184 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785920 376143424 /nfs/dbraw/zinc/14/34/24/376143424.db2.gz QRYLAMDJXVTDRK-IACUBPJLSA-N 1 3 338.452 -0.184 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642792260 376180522 /nfs/dbraw/zinc/18/05/22/376180522.db2.gz HKSTTWRSYNHBJI-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000584172873 376218770 /nfs/dbraw/zinc/21/87/70/376218770.db2.gz IYNKNGUOUYPVDA-QLFBSQMISA-N 1 3 341.500 -0.382 20 0 EBADHO Cc1cncc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000558434767 376265385 /nfs/dbraw/zinc/26/53/85/376265385.db2.gz RZADOUJJHUXFGE-UHFFFAOYSA-N 1 3 335.452 -0.042 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000559925743 376613976 /nfs/dbraw/zinc/61/39/76/376613976.db2.gz SEBLYPRTCYIYLD-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000559925743 376613986 /nfs/dbraw/zinc/61/39/86/376613986.db2.gz SEBLYPRTCYIYLD-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905495 376686678 /nfs/dbraw/zinc/68/66/78/376686678.db2.gz NSAPXLZNCPAOCL-AWEZNQCLSA-N 1 3 327.473 -0.804 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000642924569 376766704 /nfs/dbraw/zinc/76/67/04/376766704.db2.gz DDNOAKVNDNQBFR-OKILXGFUSA-N 1 3 337.468 -0.909 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000642924569 376766708 /nfs/dbraw/zinc/76/67/08/376766708.db2.gz DDNOAKVNDNQBFR-OKILXGFUSA-N 1 3 337.468 -0.909 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642946651 377019018 /nfs/dbraw/zinc/01/90/18/377019018.db2.gz AVUGIXVVSAUNCH-GJZGRUSLSA-N 1 3 339.484 -0.676 20 0 EBADHO COCCN(C)CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1=O ZINC000635934888 377141637 /nfs/dbraw/zinc/14/16/37/377141637.db2.gz WABPZHSZJKPTGP-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000570044762 377202240 /nfs/dbraw/zinc/20/22/40/377202240.db2.gz ZDTAVFHRTVDMSO-MJBXVCDLSA-N 1 3 328.457 -0.202 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cccnc1 ZINC000580286052 377447616 /nfs/dbraw/zinc/44/76/16/377447616.db2.gz HKQJZYGEWDFVPX-UHFFFAOYSA-N 1 3 335.452 -0.008 20 0 EBADHO CN1CCC([NH+]2CCC(NC[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000562989716 377417598 /nfs/dbraw/zinc/41/75/98/377417598.db2.gz QQNDSXVBEAIKEQ-SFHVURJKSA-N 1 3 340.512 -0.172 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636523487 377552754 /nfs/dbraw/zinc/55/27/54/377552754.db2.gz KNZHUSFXYISQFL-AWEZNQCLSA-N 1 3 327.473 -0.622 20 0 EBADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636523487 377552758 /nfs/dbraw/zinc/55/27/58/377552758.db2.gz KNZHUSFXYISQFL-AWEZNQCLSA-N 1 3 327.473 -0.622 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000364251174 377572428 /nfs/dbraw/zinc/57/24/28/377572428.db2.gz AGPHYRONLOVZJG-UONOGXRCSA-N 1 3 327.425 -0.245 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525961 378361627 /nfs/dbraw/zinc/36/16/27/378361627.db2.gz NJGKUCOENJCFGA-ZBFHGGJFSA-N 1 3 328.416 -0.355 20 0 EBADHO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000571325240 379132993 /nfs/dbraw/zinc/13/29/93/379132993.db2.gz BULUWGIKDJZVHR-ZDUSSCGKSA-N 1 3 327.425 -0.305 20 0 EBADHO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000571325240 379133003 /nfs/dbraw/zinc/13/30/03/379133003.db2.gz BULUWGIKDJZVHR-ZDUSSCGKSA-N 1 3 327.425 -0.305 20 0 EBADHO CN(C)CCNC(=O)C(C)(C)OC(C)(C)C(=O)NCC[NH+](C)C ZINC000454169219 379113396 /nfs/dbraw/zinc/11/33/96/379113396.db2.gz ARZYGUGMPJVEHM-UHFFFAOYSA-N 1 3 330.473 -0.084 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000629793338 379138274 /nfs/dbraw/zinc/13/82/74/379138274.db2.gz FXEGCQVXCWDZNA-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000629793015 379138538 /nfs/dbraw/zinc/13/85/38/379138538.db2.gz BRYDMUHNKHWEAC-CQSZACIVSA-N 1 3 326.441 -0.493 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000629798894 379142675 /nfs/dbraw/zinc/14/26/75/379142675.db2.gz MKUHHTRNMCXRCK-ZIAGYGMSSA-N 1 3 328.457 -0.521 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000629802551 379146168 /nfs/dbraw/zinc/14/61/68/379146168.db2.gz JDRRRCZWUIJDSZ-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN(C)C2CCC2)CC1=O ZINC000629994289 379335744 /nfs/dbraw/zinc/33/57/44/379335744.db2.gz VWWOPDSVXNWVJU-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN(C)C2CCC2)CC1=O ZINC000629994289 379335749 /nfs/dbraw/zinc/33/57/49/379335749.db2.gz VWWOPDSVXNWVJU-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N1CCC(C)CC1 ZINC000627331862 379341499 /nfs/dbraw/zinc/34/14/99/379341499.db2.gz KCDNROKKXCQHER-AWEZNQCLSA-N 1 3 340.468 -0.153 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312322 379304614 /nfs/dbraw/zinc/30/46/14/379304614.db2.gz WICZWNNGFDQPFB-KFWWJZLASA-N 1 3 342.484 -0.049 20 0 EBADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CNCCO1 ZINC000269313265 379361636 /nfs/dbraw/zinc/36/16/36/379361636.db2.gz XUUGJVJFFAUQTO-INIZCTEOSA-N 1 3 333.436 -0.302 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839675 379367846 /nfs/dbraw/zinc/36/78/46/379367846.db2.gz WWTNOWBOPCKWOP-CXAGYDPISA-N 1 3 338.452 -0.447 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425333 379592010 /nfs/dbraw/zinc/59/20/10/379592010.db2.gz MOFDIQNDKRNXRE-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627440565 379598196 /nfs/dbraw/zinc/59/81/96/379598196.db2.gz NZEBPHODVJDILZ-AWEZNQCLSA-N 1 3 339.484 -0.661 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000627464732 379615358 /nfs/dbraw/zinc/61/53/58/379615358.db2.gz LRECLCPKZBJXKI-AWEZNQCLSA-N 1 3 326.441 -0.575 20 0 EBADHO CN1CCN(CCCS(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000631936636 379753569 /nfs/dbraw/zinc/75/35/69/379753569.db2.gz HALOWYVKAKTBLG-OAHLLOKOSA-N 1 3 332.514 -0.020 20 0 EBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000631825633 379762154 /nfs/dbraw/zinc/76/21/54/379762154.db2.gz ORZYDBASZDPOOJ-CYBMUJFWSA-N 1 3 346.497 -0.413 20 0 EBADHO COc1ccc([C@@H](CNc2nc(N)nc(N)n2)[NH+](C)C)cc1OC ZINC000623797835 379772865 /nfs/dbraw/zinc/77/28/65/379772865.db2.gz CZVKYHPPIYVDDZ-SNVBAGLBSA-N 1 3 333.396 -0.149 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000626986616 379773659 /nfs/dbraw/zinc/77/36/59/379773659.db2.gz KWGDVLSPLLRTMI-HNNXBMFYSA-N 1 3 329.489 -0.253 20 0 EBADHO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000631944045 379787784 /nfs/dbraw/zinc/78/77/84/379787784.db2.gz MFKXIBQEXZNZPV-CYBMUJFWSA-N 1 3 330.458 -0.345 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000128587921 380001877 /nfs/dbraw/zinc/00/18/77/380001877.db2.gz ZFACNALUYCHHID-DOTOQJQBSA-N 1 3 343.516 -0.128 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000545884390 380100790 /nfs/dbraw/zinc/10/07/90/380100790.db2.gz MTYBEDQVUYZWCC-RHSMWYFYSA-N 1 3 340.468 -0.147 20 0 EBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000638114303 380162218 /nfs/dbraw/zinc/16/22/18/380162218.db2.gz YMJSMFQLIQMFCW-WMLDXEAASA-N 1 3 340.468 -0.188 20 0 EBADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538423 380423906 /nfs/dbraw/zinc/42/39/06/380423906.db2.gz SRWXIXVPIKXAKO-ZUZCIYMTSA-N 1 3 337.428 -0.315 20 0 EBADHO C[C@@H]1CN(C[C@H](O)CNCCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC000566232980 380455522 /nfs/dbraw/zinc/45/55/22/380455522.db2.gz GBWXYQYBUHVNQM-BFYDXBDKSA-N 1 3 329.485 -0.107 20 0 EBADHO C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)CN1CCN(C)CC1 ZINC000362564383 380411542 /nfs/dbraw/zinc/41/15/42/380411542.db2.gz KERNBHIAQCTRIQ-GJZGRUSLSA-N 1 3 349.483 -0.184 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000565294487 380414672 /nfs/dbraw/zinc/41/46/72/380414672.db2.gz NJDHRACGUMPCRR-HNNXBMFYSA-N 1 3 337.468 -0.064 20 0 EBADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000567337455 380511164 /nfs/dbraw/zinc/51/11/64/380511164.db2.gz VDBRPRNZFAPASD-OAHLLOKOSA-N 1 3 339.484 -0.674 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340493216 380516246 /nfs/dbraw/zinc/51/62/46/380516246.db2.gz YVYPTWXAWQEXSB-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534910 380608445 /nfs/dbraw/zinc/60/84/45/380608445.db2.gz LEOYVZZCNFCDBW-LSDHHAIUSA-N 1 3 335.452 -0.186 20 0 EBADHO COC[C@]1(CNC(=O)N(CCN(C)C)CCN(C)C)CCC[NH2+]1 ZINC000568975566 380623827 /nfs/dbraw/zinc/62/38/27/380623827.db2.gz KTGVGUILURPPAI-MRXNPFEDSA-N 1 3 329.489 -0.110 20 0 EBADHO CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573386832 380671110 /nfs/dbraw/zinc/67/11/10/380671110.db2.gz QJUWFUKTMMYDKU-CHWSQXEVSA-N 1 3 328.482 -0.168 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341154164 380672072 /nfs/dbraw/zinc/67/20/72/380672072.db2.gz DQOZATOGIIOTEU-UONOGXRCSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341154164 380672080 /nfs/dbraw/zinc/67/20/80/380672080.db2.gz DQOZATOGIIOTEU-UONOGXRCSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000341160552 380674644 /nfs/dbraw/zinc/67/46/44/380674644.db2.gz KFJXQPLULKDXAK-AWEZNQCLSA-N 1 3 325.457 -0.079 20 0 EBADHO CN1CCCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000341160552 380674655 /nfs/dbraw/zinc/67/46/55/380674655.db2.gz KFJXQPLULKDXAK-AWEZNQCLSA-N 1 3 325.457 -0.079 20 0 EBADHO CN1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000341160553 380674847 /nfs/dbraw/zinc/67/48/47/380674847.db2.gz KFJXQPLULKDXAK-CQSZACIVSA-N 1 3 325.457 -0.079 20 0 EBADHO CN1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000341160553 380674851 /nfs/dbraw/zinc/67/48/51/380674851.db2.gz KFJXQPLULKDXAK-CQSZACIVSA-N 1 3 325.457 -0.079 20 0 EBADHO CC(C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)N1CCN(C)CC1 ZINC000121162063 380705361 /nfs/dbraw/zinc/70/53/61/380705361.db2.gz LHHUOCKXNQKOIJ-DOTOQJQBSA-N 1 3 343.516 -0.130 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000574278767 380706778 /nfs/dbraw/zinc/70/67/78/380706778.db2.gz DDYCFNBNQLRXJQ-KBMXLJTQSA-N 1 3 340.468 -0.169 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021583 380654279 /nfs/dbraw/zinc/65/42/79/380654279.db2.gz DWPZPOPXWSFGLZ-WUCCLRPBSA-N 1 3 335.452 -0.043 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000574324310 380708690 /nfs/dbraw/zinc/70/86/90/380708690.db2.gz XGUIWFCSEFJKHX-KBPBESRZSA-N 1 3 327.473 -0.676 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575984460 380752844 /nfs/dbraw/zinc/75/28/44/380752844.db2.gz VLEUSCCMPQCUGD-ZIAGYGMSSA-N 1 3 336.440 -0.129 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1CCCCN1CCO ZINC000418291299 380829403 /nfs/dbraw/zinc/82/94/03/380829403.db2.gz VQAAPTMVMIPAFF-HNNXBMFYSA-N 1 3 327.473 -0.572 20 0 EBADHO CN1CCC(n2cc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000638977548 380841943 /nfs/dbraw/zinc/84/19/43/380841943.db2.gz MGRBUOAFDHAPIH-CQSZACIVSA-N 1 3 334.424 -0.044 20 0 EBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000577943023 380857389 /nfs/dbraw/zinc/85/73/89/380857389.db2.gz IZRYFXOLMWATRQ-UONOGXRCSA-N 1 3 327.473 -0.948 20 0 EBADHO COC(=O)CNC(=O)CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180941172 380928914 /nfs/dbraw/zinc/92/89/14/380928914.db2.gz JKIJLHVZGZMNNS-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO COC(=O)CNC(=O)CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180941172 380928927 /nfs/dbraw/zinc/92/89/27/380928927.db2.gz JKIJLHVZGZMNNS-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417432237 380886641 /nfs/dbraw/zinc/88/66/41/380886641.db2.gz SNMPUIVVYILYDJ-KBPBESRZSA-N 1 3 325.457 -0.020 20 0 EBADHO CC1CC[NH+](C[C@H](O)CNC[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000579712952 381009024 /nfs/dbraw/zinc/00/90/24/381009024.db2.gz ZATRJLMTAOOGSO-IAGOWNOFSA-N 1 3 328.501 -0.723 20 0 EBADHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000579712952 381009026 /nfs/dbraw/zinc/00/90/26/381009026.db2.gz ZATRJLMTAOOGSO-IAGOWNOFSA-N 1 3 328.501 -0.723 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000343824186 381013636 /nfs/dbraw/zinc/01/36/36/381013636.db2.gz ARORLTSCNKRHAJ-LSDHHAIUSA-N 1 3 340.468 -0.105 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000343824186 381013651 /nfs/dbraw/zinc/01/36/51/381013651.db2.gz ARORLTSCNKRHAJ-LSDHHAIUSA-N 1 3 340.468 -0.105 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000579861786 381021699 /nfs/dbraw/zinc/02/16/99/381021699.db2.gz OPKNPRMWTJYJRV-CQSZACIVSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[NH2+]CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000579932447 381023848 /nfs/dbraw/zinc/02/38/48/381023848.db2.gz YAFGBXGGOQNPLJ-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000580725367 381034240 /nfs/dbraw/zinc/03/42/40/381034240.db2.gz QKOHCYHYSOWYQC-MNOVXSKESA-N 1 3 348.455 -0.316 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCn1cccn1 ZINC000580938215 381045838 /nfs/dbraw/zinc/04/58/38/381045838.db2.gz GFSZPSBYHKXCNV-UHFFFAOYSA-N 1 3 338.456 -0.707 20 0 EBADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581602067 381086246 /nfs/dbraw/zinc/08/62/46/381086246.db2.gz VIGZOSZRFLKGDY-LSDHHAIUSA-N 1 3 339.484 -0.722 20 0 EBADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581602067 381086252 /nfs/dbraw/zinc/08/62/52/381086252.db2.gz VIGZOSZRFLKGDY-LSDHHAIUSA-N 1 3 339.484 -0.722 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000642439534 381093987 /nfs/dbraw/zinc/09/39/87/381093987.db2.gz LADPABPFGZUFNP-KBPBESRZSA-N 1 3 326.441 -0.447 20 0 EBADHO CN1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000581874255 381103447 /nfs/dbraw/zinc/10/34/47/381103447.db2.gz ZPPNXWHSJVKKDF-AWEZNQCLSA-N 1 3 326.489 -0.703 20 0 EBADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931148 381119583 /nfs/dbraw/zinc/11/95/83/381119583.db2.gz DGTXMRROWYRFIS-KGLIPLIRSA-N 1 3 336.436 -0.332 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418385226 381120294 /nfs/dbraw/zinc/12/02/94/381120294.db2.gz KFVHLWLOZWECQF-CQSZACIVSA-N 1 3 325.457 -0.209 20 0 EBADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000642517665 381158281 /nfs/dbraw/zinc/15/82/81/381158281.db2.gz GXXCUPBEFHCEKK-HNNXBMFYSA-N 1 3 339.484 -0.676 20 0 EBADHO CN1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000583312346 381125896 /nfs/dbraw/zinc/12/58/96/381125896.db2.gz GQZKVAGMCQIZPS-ZIAGYGMSSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000418846608 381302286 /nfs/dbraw/zinc/30/22/86/381302286.db2.gz YPVJNYJZNVJSSK-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478889 381327795 /nfs/dbraw/zinc/32/77/95/381327795.db2.gz MBBDREOKLQICHT-ZBFHGGJFSA-N 1 3 343.431 -0.059 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883883 381331191 /nfs/dbraw/zinc/33/11/91/381331191.db2.gz VTOYAWRYFVWOIT-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000418881652 381331426 /nfs/dbraw/zinc/33/14/26/381331426.db2.gz XTBKAQIHDVUENY-WCQYABFASA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418863252 381314770 /nfs/dbraw/zinc/31/47/70/381314770.db2.gz BLVWQHCEGRIUAQ-RRFJBIMHSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419242818 381407590 /nfs/dbraw/zinc/40/75/90/381407590.db2.gz RPHQBUMCTCPTHO-VXGBXAGGSA-N 1 3 326.441 -0.184 20 0 EBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419289504 381413468 /nfs/dbraw/zinc/41/34/68/381413468.db2.gz TZNCLAINCMIPFZ-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419164140 381391489 /nfs/dbraw/zinc/39/14/89/381391489.db2.gz LKBQADIDGIJDLO-MRXNPFEDSA-N 1 3 348.447 -0.271 20 0 EBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419214048 381402182 /nfs/dbraw/zinc/40/21/82/381402182.db2.gz MDCZNDAQQHRJPM-CYBMUJFWSA-N 1 3 336.436 -0.046 20 0 EBADHO C[N@H+](CCCNC(=O)C(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000419405094 381428828 /nfs/dbraw/zinc/42/88/28/381428828.db2.gz HEXQQAJVNDNNST-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000419405094 381428835 /nfs/dbraw/zinc/42/88/35/381428835.db2.gz HEXQQAJVNDNNST-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419412645 381429482 /nfs/dbraw/zinc/42/94/82/381429482.db2.gz RCXFQHKYWJNFJX-QLFBSQMISA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419338001 381420365 /nfs/dbraw/zinc/42/03/65/381420365.db2.gz RPXJSAWBESYYCL-XWUBHJNHSA-N 1 3 338.452 -0.186 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](CN)C1 ZINC000419691214 381472882 /nfs/dbraw/zinc/47/28/82/381472882.db2.gz DVEIKHZLLHPENZ-CABCVRRESA-N 1 3 340.468 -0.058 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H](CN)C1 ZINC000419691214 381472886 /nfs/dbraw/zinc/47/28/86/381472886.db2.gz DVEIKHZLLHPENZ-CABCVRRESA-N 1 3 340.468 -0.058 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCSC1 ZINC000419590693 381461327 /nfs/dbraw/zinc/46/13/27/381461327.db2.gz UNQYEQMHZDVKLK-WFASDCNBSA-N 1 3 328.482 -0.202 20 0 EBADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000419657177 381466877 /nfs/dbraw/zinc/46/68/77/381466877.db2.gz JDNHYXBGQQYDLP-HNNXBMFYSA-N 1 3 348.447 -0.236 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419862384 381510204 /nfs/dbraw/zinc/51/02/04/381510204.db2.gz BJHCCZPQRTXERY-OKILXGFUSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419871235 381515371 /nfs/dbraw/zinc/51/53/71/381515371.db2.gz PKDRKBRFGCSEFU-UHFFFAOYSA-N 1 3 327.473 -0.804 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1CN ZINC000419785605 381494450 /nfs/dbraw/zinc/49/44/50/381494450.db2.gz SPJUOOXVLMJTNP-MGPQQGTHSA-N 1 3 328.457 -0.202 20 0 EBADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420210330 381571216 /nfs/dbraw/zinc/57/12/16/381571216.db2.gz WEMWADHGDUTKQO-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351527354 381637455 /nfs/dbraw/zinc/63/74/55/381637455.db2.gz ZUOAPUJCXJFLOO-CABCVRRESA-N 1 3 339.484 -0.756 20 0 EBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000351582266 381648160 /nfs/dbraw/zinc/64/81/60/381648160.db2.gz XUSIGUMPBDRERY-HNNXBMFYSA-N 1 3 338.452 -0.575 20 0 EBADHO CCC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000572368376 381679545 /nfs/dbraw/zinc/67/95/45/381679545.db2.gz NKRXTJMONVVKHJ-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000331943828 381733594 /nfs/dbraw/zinc/73/35/94/381733594.db2.gz IQJVENJYPPLPSM-UONOGXRCSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000333827299 381961240 /nfs/dbraw/zinc/96/12/40/381961240.db2.gz LWBKYJQPDKVGNZ-RBSFLKMASA-N 1 3 337.468 -0.068 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643511178 381963559 /nfs/dbraw/zinc/96/35/59/381963559.db2.gz KMHHAHSYZFCGOH-UONOGXRCSA-N 1 3 326.441 -0.767 20 0 EBADHO CC[C@H]1CN(C(=O)C(=O)N(CCOC)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643511238 381963695 /nfs/dbraw/zinc/96/36/95/381963695.db2.gz ZJJBCANNYKGLRG-KBPBESRZSA-N 1 3 328.457 -0.391 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000563946427 382092857 /nfs/dbraw/zinc/09/28/57/382092857.db2.gz BKDUUCRWMMCKOK-HUUCEWRRSA-N 1 3 339.484 -0.676 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354730737 285332340 /nfs/dbraw/zinc/33/23/40/285332340.db2.gz APSVNNCRZPZLQB-LSDHHAIUSA-N 1 3 339.484 -0.613 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000172723319 154099683 /nfs/dbraw/zinc/09/96/83/154099683.db2.gz GAVGLMFKNRKOJU-CYBMUJFWSA-N 1 3 336.440 -0.207 20 0 EBADHO Cn1c2ncn(CCN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2c(=O)n(C)c1=O ZINC000342090284 156008169 /nfs/dbraw/zinc/00/81/69/156008169.db2.gz SOOTYAPIMUAIAD-AVGNSLFASA-N 1 3 346.435 -0.507 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000342691348 156053097 /nfs/dbraw/zinc/05/30/97/156053097.db2.gz HHJZPDDZSBKNBB-CYBMUJFWSA-N 1 3 342.440 -0.721 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NCC2CC[NH+](C3CC3)CC2)n1 ZINC000343051460 156088771 /nfs/dbraw/zinc/08/87/71/156088771.db2.gz HJUXSQVCPVIEKI-UHFFFAOYSA-N 1 3 349.483 -0.352 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000357572705 157155577 /nfs/dbraw/zinc/15/55/77/157155577.db2.gz GGEDPIRJKADVBF-ZFWWWQNUSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000357572705 157155579 /nfs/dbraw/zinc/15/55/79/157155579.db2.gz GGEDPIRJKADVBF-ZFWWWQNUSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCN1C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000530641801 418963697 /nfs/dbraw/zinc/96/36/97/418963697.db2.gz NOJYWADTHBTBQS-CQSZACIVSA-N 1 3 328.457 -0.567 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000647597088 419122445 /nfs/dbraw/zinc/12/24/45/419122445.db2.gz LLJCRJXPBSXSDP-KKUMJFAQSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCCO1 ZINC000652668708 419247641 /nfs/dbraw/zinc/24/76/41/419247641.db2.gz KCNHVMJNZPIWMC-CQSZACIVSA-N 1 3 340.468 -0.151 20 0 EBADHO Cn1c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361658 419233948 /nfs/dbraw/zinc/23/39/48/419233948.db2.gz LWLMFBWMHBKCRV-CFVMTHIKSA-N 1 3 336.436 -0.055 20 0 EBADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000652612472 419241244 /nfs/dbraw/zinc/24/12/44/419241244.db2.gz SKBVLHSTQOWOLS-OAHLLOKOSA-N 1 3 335.456 -0.044 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000652623215 419241643 /nfs/dbraw/zinc/24/16/43/419241643.db2.gz CSFXBRTWESZTDI-JSGCOSHPSA-N 1 3 334.424 -0.406 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000652622359 419241741 /nfs/dbraw/zinc/24/17/41/419241741.db2.gz IDAUVYLUZUHTSQ-MRXNPFEDSA-N 1 3 334.424 -0.405 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000652623159 419241745 /nfs/dbraw/zinc/24/17/45/419241745.db2.gz BRLFFCIBHSCTRO-UHFFFAOYSA-N 1 3 348.451 -0.015 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000531857145 419274402 /nfs/dbraw/zinc/27/44/02/419274402.db2.gz YFSQIXAJXTUGFC-CHWSQXEVSA-N 1 3 329.445 -0.846 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645260555 419318461 /nfs/dbraw/zinc/31/84/61/419318461.db2.gz KDDSIVBMUHHRJS-AWEZNQCLSA-N 1 3 343.472 -0.284 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645260555 419318464 /nfs/dbraw/zinc/31/84/64/419318464.db2.gz KDDSIVBMUHHRJS-AWEZNQCLSA-N 1 3 343.472 -0.284 20 0 EBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(c2ccncc2)CC1 ZINC000645220926 419300895 /nfs/dbraw/zinc/30/08/95/419300895.db2.gz BPIDRQUVZUXSHK-OAHLLOKOSA-N 1 3 331.420 -0.012 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C[NH3+] ZINC000652730988 419330276 /nfs/dbraw/zinc/33/02/76/419330276.db2.gz YCSCZSYYSLKOBN-TZMCWYRMSA-N 1 3 326.441 -0.639 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340805278 419381722 /nfs/dbraw/zinc/38/17/22/419381722.db2.gz UTKABLYTPYDACL-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340805278 419381727 /nfs/dbraw/zinc/38/17/27/419381727.db2.gz UTKABLYTPYDACL-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340799217 419382469 /nfs/dbraw/zinc/38/24/69/419382469.db2.gz NAEJZWONTCZKKR-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340799217 419382473 /nfs/dbraw/zinc/38/24/73/419382473.db2.gz NAEJZWONTCZKKR-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1(C)C ZINC000659688665 419696481 /nfs/dbraw/zinc/69/64/81/419696481.db2.gz FPCKQJLZJDZPHA-UHFFFAOYSA-N 1 3 337.468 -0.922 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659711776 419773517 /nfs/dbraw/zinc/77/35/17/419773517.db2.gz DLFDEDYCDRDEGB-AWEZNQCLSA-N 1 3 326.441 -0.528 20 0 EBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419879551 419813140 /nfs/dbraw/zinc/81/31/40/419813140.db2.gz ZBYSENARLXRWOL-OAHLLOKOSA-N 1 3 337.468 -0.905 20 0 EBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878733 419814048 /nfs/dbraw/zinc/81/40/48/419814048.db2.gz YHXWTVMNAVNOKV-GASCZTMLSA-N 1 3 339.484 -0.613 20 0 EBADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419880148 419814858 /nfs/dbraw/zinc/81/48/58/419814858.db2.gz UHFWHDYAPQOAGG-AWEZNQCLSA-N 1 3 339.484 -0.661 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419875680 419814928 /nfs/dbraw/zinc/81/49/28/419814928.db2.gz WWPNHCYLKFARGA-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000420021810 419838597 /nfs/dbraw/zinc/83/85/97/419838597.db2.gz IRHTXLRAXDYYIB-KBXCAEBGSA-N 1 3 348.447 -0.455 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423207040 419922748 /nfs/dbraw/zinc/92/27/48/419922748.db2.gz GKTYUZJWBKGNBD-AWEZNQCLSA-N 1 3 342.484 -0.001 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423266052 419928853 /nfs/dbraw/zinc/92/88/53/419928853.db2.gz RRCDHVORSFFFEE-KGLIPLIRSA-N 1 3 326.441 -0.909 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423265687 419929487 /nfs/dbraw/zinc/92/94/87/419929487.db2.gz RECKXINUCRVAPF-ZDUSSCGKSA-N 1 3 328.457 -0.391 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423263530 419929563 /nfs/dbraw/zinc/92/95/63/419929563.db2.gz ORRSDCLQBVUFJA-HUUCEWRRSA-N 1 3 342.484 -0.001 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423266051 419931198 /nfs/dbraw/zinc/93/11/98/419931198.db2.gz RRCDHVORSFFFEE-KBPBESRZSA-N 1 3 326.441 -0.909 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423219706 419925812 /nfs/dbraw/zinc/92/58/12/419925812.db2.gz XDEQBDYUXVILNR-QLFBSQMISA-N 1 3 338.452 -0.767 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423262416 419926584 /nfs/dbraw/zinc/92/65/84/419926584.db2.gz MLGCPDKGFHQYQK-KGLIPLIRSA-N 1 3 328.457 -0.534 20 0 EBADHO Cn1c2ncn(CCN3CC[C@H]4C[NH2+]C[C@H]4CC3)c2c(=O)n(C)c1=O ZINC000516182213 419986849 /nfs/dbraw/zinc/98/68/49/419986849.db2.gz MWKMKHPLIXDSTE-BETUJISGSA-N 1 3 346.435 -0.635 20 0 EBADHO CCN1CCN(CCCC[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000516276770 420510624 /nfs/dbraw/zinc/51/06/24/420510624.db2.gz LRIBXXOBYZYYIQ-QGZVFWFLSA-N 1 3 328.501 -0.313 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000659318541 420529179 /nfs/dbraw/zinc/52/91/79/420529179.db2.gz LMTXEYWPGUERRD-CQSZACIVSA-N 1 3 328.457 -0.833 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803702 420694123 /nfs/dbraw/zinc/69/41/23/420694123.db2.gz DJOBKTWGURYLEL-UVWXRNBGSA-N 1 3 349.439 -0.315 20 0 EBADHO CCN(CCO)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000187384239 420707762 /nfs/dbraw/zinc/70/77/62/420707762.db2.gz UQFWSBHBZCVKAV-UHFFFAOYSA-N 1 3 329.489 -0.374 20 0 EBADHO NC(=O)NC(=O)CC[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000521994485 420714535 /nfs/dbraw/zinc/71/45/35/420714535.db2.gz AEZXFSGKAFAGRV-UHFFFAOYSA-N 1 3 334.424 -0.232 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000649313289 420798640 /nfs/dbraw/zinc/79/86/40/420798640.db2.gz YPVLJSVEAILJOE-RYUDHWBXSA-N 1 3 332.395 -0.065 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000649313289 420798643 /nfs/dbraw/zinc/79/86/43/420798643.db2.gz YPVLJSVEAILJOE-RYUDHWBXSA-N 1 3 332.395 -0.065 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000649350681 420804598 /nfs/dbraw/zinc/80/45/98/420804598.db2.gz YJTPRUZEUGULAP-LSDHHAIUSA-N 1 3 349.483 -0.214 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCOCC1 ZINC000656541314 420897732 /nfs/dbraw/zinc/89/77/32/420897732.db2.gz ZFOUFJJCAVAROB-HNNXBMFYSA-N 1 3 329.489 -0.110 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCOCC1 ZINC000656541314 420897735 /nfs/dbraw/zinc/89/77/35/420897735.db2.gz ZFOUFJJCAVAROB-HNNXBMFYSA-N 1 3 329.489 -0.110 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000656027160 420868621 /nfs/dbraw/zinc/86/86/21/420868621.db2.gz BOMJNGNCUSMUFW-KFWWJZLASA-N 1 3 338.452 -0.304 20 0 EBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000658522220 420958740 /nfs/dbraw/zinc/95/87/40/420958740.db2.gz NBTQUPGYLVBVCE-OAHLLOKOSA-N 1 3 340.468 -0.424 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CCCO1 ZINC000659676824 421012828 /nfs/dbraw/zinc/01/28/28/421012828.db2.gz JOHXZIIVNHLZMO-AWEZNQCLSA-N 1 3 340.468 -0.009 20 0 EBADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCCO1 ZINC000659676164 421013710 /nfs/dbraw/zinc/01/37/10/421013710.db2.gz FNQBHSYNIPIVOQ-ZDUSSCGKSA-N 1 3 328.457 -0.201 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000659684660 421014405 /nfs/dbraw/zinc/01/44/05/421014405.db2.gz KVXRNZUWYHXEPN-CYBMUJFWSA-N 1 3 328.457 -0.284 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000659684661 421014635 /nfs/dbraw/zinc/01/46/35/421014635.db2.gz KVXRNZUWYHXEPN-ZDUSSCGKSA-N 1 3 328.457 -0.284 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730501 421025052 /nfs/dbraw/zinc/02/50/52/421025052.db2.gz XLJMCSWKCKMYRE-UKRRQHHQSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659730501 421025054 /nfs/dbraw/zinc/02/50/54/421025054.db2.gz XLJMCSWKCKMYRE-UKRRQHHQSA-N 1 3 338.452 -0.386 20 0 EBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659739375 421026418 /nfs/dbraw/zinc/02/64/18/421026418.db2.gz RVDISRUAQMVCEO-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662660038 421095390 /nfs/dbraw/zinc/09/53/90/421095390.db2.gz SCTZQKOQDJKPKF-LBPRGKRZSA-N 1 3 336.440 -0.421 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662939100 421112320 /nfs/dbraw/zinc/11/23/20/421112320.db2.gz SUWZYSYBIQQGHC-UHFFFAOYSA-N 1 3 349.435 -0.066 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCO1 ZINC000662948437 421116533 /nfs/dbraw/zinc/11/65/33/421116533.db2.gz KDWFAKUQQMKULB-KGLIPLIRSA-N 1 3 326.441 -0.495 20 0 EBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662977341 421121324 /nfs/dbraw/zinc/12/13/24/421121324.db2.gz JCJALZNEOOOVEJ-UUCFBXCCSA-N 1 3 338.452 -0.495 20 0 EBADHO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663500225 421132166 /nfs/dbraw/zinc/13/21/66/421132166.db2.gz JBNQXFCOCBVRFB-KBPBESRZSA-N 1 3 325.457 -0.129 20 0 EBADHO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663500225 421132169 /nfs/dbraw/zinc/13/21/69/421132169.db2.gz JBNQXFCOCBVRFB-KBPBESRZSA-N 1 3 325.457 -0.129 20 0 EBADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000664130341 421149440 /nfs/dbraw/zinc/14/94/40/421149440.db2.gz SXGSESXDYQDGJA-ZDUSSCGKSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000664427634 421155459 /nfs/dbraw/zinc/15/54/59/421155459.db2.gz WLQHMJZWFMILOE-IHRRRGAJSA-N 1 3 343.472 -0.410 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000664427634 421155463 /nfs/dbraw/zinc/15/54/63/421155463.db2.gz WLQHMJZWFMILOE-IHRRRGAJSA-N 1 3 343.472 -0.410 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CCCO1 ZINC000664756798 421163518 /nfs/dbraw/zinc/16/35/18/421163518.db2.gz XPPYSTNHWVFJNH-ILXRZTDVSA-N 1 3 328.457 -0.196 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CCCO1 ZINC000664756798 421163522 /nfs/dbraw/zinc/16/35/22/421163522.db2.gz XPPYSTNHWVFJNH-ILXRZTDVSA-N 1 3 328.457 -0.196 20 0 EBADHO CN(c1cc(=O)n(C)c(=O)n1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000663594610 421135038 /nfs/dbraw/zinc/13/50/38/421135038.db2.gz ZGPXMWBCFUOGSL-AWEZNQCLSA-N 1 3 335.452 -0.311 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000448484718 421192085 /nfs/dbraw/zinc/19/20/85/421192085.db2.gz FVIBDVMKGTXEJX-UONOGXRCSA-N 1 3 348.451 0.126 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000448484718 421192088 /nfs/dbraw/zinc/19/20/88/421192088.db2.gz FVIBDVMKGTXEJX-UONOGXRCSA-N 1 3 348.451 0.126 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000358859293 421192096 /nfs/dbraw/zinc/19/20/96/421192096.db2.gz WNXIQULAXVDZSD-CYBMUJFWSA-N 1 3 336.440 -0.207 20 0 EBADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448483089 421219928 /nfs/dbraw/zinc/21/99/28/421219928.db2.gz ZZGJWHQHTKVRIC-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 EBADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448483089 421219930 /nfs/dbraw/zinc/21/99/30/421219930.db2.gz ZZGJWHQHTKVRIC-UHFFFAOYSA-N 1 3 338.456 0.230 20 0 EBADHO CC(C)n1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000582097584 421224626 /nfs/dbraw/zinc/22/46/26/421224626.db2.gz BWGQIYSYTNLLCW-UHFFFAOYSA-N 1 3 338.456 0.354 20 0 EBADHO COC[C@]1(CNC(=O)NC[C@H]2CCCN2CCCO)CCC[NH2+]1 ZINC000418633688 264831717 /nfs/dbraw/zinc/83/17/17/264831717.db2.gz IMZJRTNGBLFWJD-GDBMZVCRSA-N 1 3 328.457 -0.099 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419026179 264845481 /nfs/dbraw/zinc/84/54/81/264845481.db2.gz MWORHTXDABEDKU-RBSFLKMASA-N 1 3 340.468 -0.282 20 0 EBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000423392602 265002723 /nfs/dbraw/zinc/00/27/23/265002723.db2.gz XTQZAJPEILBTGS-UHFFFAOYSA-N 1 3 349.435 -0.193 20 0 EBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)CCN)CC2)CC1 ZINC000423501208 265009171 /nfs/dbraw/zinc/00/91/71/265009171.db2.gz BAHPWULGXQOYPV-UHFFFAOYSA-N 1 3 339.484 -0.580 20 0 EBADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000424459359 265062628 /nfs/dbraw/zinc/06/26/28/265062628.db2.gz GCDACYKRMWXHIR-HZPDHXFCSA-N 1 3 341.500 -0.054 20 0 EBADHO CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430647886 265152168 /nfs/dbraw/zinc/15/21/68/265152168.db2.gz QQVFGKXFNBXQIT-HUUCEWRRSA-N 1 3 339.484 -0.674 20 0 EBADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000420375564 272826599 /nfs/dbraw/zinc/82/65/99/272826599.db2.gz TYBRCUSAWNPMIC-AGIUHOORSA-N 1 3 348.451 -0.200 20 0 EBADHO CN1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[C@@H]2C1 ZINC000329196532 289159051 /nfs/dbraw/zinc/15/90/51/289159051.db2.gz TUPBITXLAYXVRC-KFWWJZLASA-N 1 3 338.452 -0.672 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000669227623 545827503 /nfs/dbraw/zinc/82/75/03/545827503.db2.gz DOUBIAWQNBTPFZ-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO CN1CCN(C(=O)CCN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000669931704 545955161 /nfs/dbraw/zinc/95/51/61/545955161.db2.gz UGMOBSMHYBLVIT-QGZVFWFLSA-N 1 3 337.512 -0.138 20 0 EBADHO CN1CCN(C(=O)CCN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000669931704 545955164 /nfs/dbraw/zinc/95/51/64/545955164.db2.gz UGMOBSMHYBLVIT-QGZVFWFLSA-N 1 3 337.512 -0.138 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640453 546116289 /nfs/dbraw/zinc/11/62/89/546116289.db2.gz IZZRQMCGALZSAD-AWEZNQCLSA-N 1 3 339.484 -0.709 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000892819887 582588211 /nfs/dbraw/zinc/58/82/11/582588211.db2.gz TUGFXBKAIPMUGO-HZPDHXFCSA-N 1 3 339.484 -0.262 20 0 EBADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000892819887 582588213 /nfs/dbraw/zinc/58/82/13/582588213.db2.gz TUGFXBKAIPMUGO-HZPDHXFCSA-N 1 3 339.484 -0.262 20 0 EBADHO C[C@@H](CNC(=O)NCCN1CCC(O)CC1)C[NH+]1CCN(C)CC1 ZINC000893236648 582594725 /nfs/dbraw/zinc/59/47/25/582594725.db2.gz JALYCKDLJYHDQI-HNNXBMFYSA-N 1 3 341.500 -0.374 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898088820 582719576 /nfs/dbraw/zinc/71/95/76/582719576.db2.gz UCVYUQKMOQCKSZ-CYBMUJFWSA-N 1 3 338.452 -0.324 20 0 EBADHO C[C@@H](CNC(=O)c1cnc(C(=O)NC[C@H](C)[NH+](C)C)cn1)N(C)C ZINC000900164295 582763211 /nfs/dbraw/zinc/76/32/11/582763211.db2.gz YWVZOPBJDSZXKB-RYUDHWBXSA-N 1 3 336.440 -0.164 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900481125 582770424 /nfs/dbraw/zinc/77/04/24/582770424.db2.gz NLLABEVVGXHQQC-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900481125 582770426 /nfs/dbraw/zinc/77/04/26/582770426.db2.gz NLLABEVVGXHQQC-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900481126 582770430 /nfs/dbraw/zinc/77/04/30/582770430.db2.gz NLLABEVVGXHQQC-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900481126 582770432 /nfs/dbraw/zinc/77/04/32/582770432.db2.gz NLLABEVVGXHQQC-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NC[C@@H]1CCCO1)C2 ZINC000903493157 582809637 /nfs/dbraw/zinc/80/96/37/582809637.db2.gz VTGGPDJFIRSTHL-LHLGERLTSA-N 1 3 339.436 -0.118 20 0 EBADHO COC(=O)CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507169 582810099 /nfs/dbraw/zinc/81/00/99/582810099.db2.gz PLJPVYWUACEJFH-GASCZTMLSA-N 1 3 338.452 -0.434 20 0 EBADHO COC(=O)CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507169 582810103 /nfs/dbraw/zinc/81/01/03/582810103.db2.gz PLJPVYWUACEJFH-GASCZTMLSA-N 1 3 338.452 -0.434 20 0 EBADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903744161 582816712 /nfs/dbraw/zinc/81/67/12/582816712.db2.gz YLRNDNPTNVXXBO-AWEZNQCLSA-N 1 3 340.468 -0.513 20 0 EBADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H](N)C(C)(C)C2)CC1 ZINC000903744161 582816713 /nfs/dbraw/zinc/81/67/13/582816713.db2.gz YLRNDNPTNVXXBO-AWEZNQCLSA-N 1 3 340.468 -0.513 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903768121 582818060 /nfs/dbraw/zinc/81/80/60/582818060.db2.gz SBCPRTFCIXEQDE-HBNTYKKESA-N 1 3 336.358 -0.113 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCN1CCCS1(=O)=O)C2 ZINC000903785494 582820799 /nfs/dbraw/zinc/82/07/99/582820799.db2.gz ZDCPJFRPICOOBN-SCRDCRAPSA-N 1 3 331.438 -0.766 20 0 EBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804056443 583639445 /nfs/dbraw/zinc/63/94/45/583639445.db2.gz KSVDGLHPAOTMEV-QLFBSQMISA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccnn1C ZINC000808017807 583665267 /nfs/dbraw/zinc/66/52/67/583665267.db2.gz BMXQNESAZPLFED-UHFFFAOYSA-N 1 3 338.456 -0.969 20 0 EBADHO CN(C)CCN1CCN(C(=O)COC2CC[NH+](C)CC2)CC1=O ZINC000823864571 583838018 /nfs/dbraw/zinc/83/80/18/583838018.db2.gz NDKNQYIDTRDZTL-UHFFFAOYSA-N 1 3 326.441 -0.670 20 0 EBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844180300 584090277 /nfs/dbraw/zinc/09/02/77/584090277.db2.gz QVFTWVNYYUSFRS-GJZGRUSLSA-N 1 3 333.436 -0.059 20 0 EBADHO CN(C)C(=O)CCN1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844184418 584090560 /nfs/dbraw/zinc/09/05/60/584090560.db2.gz MQKIZUKKIRDLJX-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1=O ZINC000844569472 584095027 /nfs/dbraw/zinc/09/50/27/584095027.db2.gz MFPCPSVNITZEEU-UHFFFAOYSA-N 1 3 341.525 -0.092 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000851684928 584198399 /nfs/dbraw/zinc/19/83/99/584198399.db2.gz NDSLLFPWVMUQKX-MGPQQGTHSA-N 1 3 326.441 -0.545 20 0 EBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000857102384 584274416 /nfs/dbraw/zinc/27/44/16/584274416.db2.gz QUXNXJKQNHUCKL-WVZRYYJFSA-N 1 3 336.436 -0.694 20 0 EBADHO C[C@H](CN1CCOCC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548001 584372719 /nfs/dbraw/zinc/37/27/19/584372719.db2.gz NBOKWKFAPYZQKQ-BMFZPTHFSA-N 1 3 338.452 -0.036 20 0 EBADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000868414629 584428966 /nfs/dbraw/zinc/42/89/66/584428966.db2.gz HFBTZFDLFHZIKV-OAHLLOKOSA-N 1 3 340.468 -0.369 20 0 EBADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000868414629 584428968 /nfs/dbraw/zinc/42/89/68/584428968.db2.gz HFBTZFDLFHZIKV-OAHLLOKOSA-N 1 3 340.468 -0.369 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@H](CC[N@@H+]3C)C1)C2=O ZINC000872725099 584466431 /nfs/dbraw/zinc/46/64/31/584466431.db2.gz BPIBZEBTJJIPHZ-KGLIPLIRSA-N 1 3 335.452 -0.014 20 0 EBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@H](CC[N@H+]3C)C1)C2=O ZINC000872725099 584466434 /nfs/dbraw/zinc/46/64/34/584466434.db2.gz BPIBZEBTJJIPHZ-KGLIPLIRSA-N 1 3 335.452 -0.014 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000874172199 584479832 /nfs/dbraw/zinc/47/98/32/584479832.db2.gz IMTIZSSFNFCQBO-DZGCQCFKSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cn1 ZINC000874172199 584479833 /nfs/dbraw/zinc/47/98/33/584479833.db2.gz IMTIZSSFNFCQBO-DZGCQCFKSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000874171079 584479881 /nfs/dbraw/zinc/47/98/81/584479881.db2.gz BCXWHLQCDGOVRT-UONOGXRCSA-N 1 3 348.451 -0.064 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC000874171079 584479884 /nfs/dbraw/zinc/47/98/84/584479884.db2.gz BCXWHLQCDGOVRT-UONOGXRCSA-N 1 3 348.451 -0.064 20 0 EBADHO CCS(=O)(=O)CCNC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875220236 584494242 /nfs/dbraw/zinc/49/42/42/584494242.db2.gz GIITZBYCEHRCPI-ZIAGYGMSSA-N 1 3 348.513 -0.198 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875263032 584495813 /nfs/dbraw/zinc/49/58/13/584495813.db2.gz JEDBWVYXWODALE-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875263032 584495815 /nfs/dbraw/zinc/49/58/15/584495815.db2.gz JEDBWVYXWODALE-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1(F)F ZINC000876751996 584522083 /nfs/dbraw/zinc/52/20/83/584522083.db2.gz DBJXXLQELMAZTR-DGCLKSJQSA-N 1 3 330.379 -0.407 20 0 EBADHO COCCC1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[NH2+]CC1 ZINC000877267843 584531085 /nfs/dbraw/zinc/53/10/85/584531085.db2.gz HCVZTTZVZLNXMU-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883640306 584603939 /nfs/dbraw/zinc/60/39/39/584603939.db2.gz LUECEFGWVJFGMR-UKRRQHHQSA-N 1 3 347.419 -0.695 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000883640742 584604001 /nfs/dbraw/zinc/60/40/01/584604001.db2.gz XQYODFVNCSOLKJ-UMVBOHGHSA-N 1 3 331.420 -0.076 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884597881 584628898 /nfs/dbraw/zinc/62/88/98/584628898.db2.gz MYWZTRNDOVEJRK-UHFFFAOYSA-N 1 3 341.500 -0.236 20 0 EBADHO CCN(CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000884601152 584629213 /nfs/dbraw/zinc/62/92/13/584629213.db2.gz CHVGNXQRMKZFHL-NSHDSACASA-N 1 3 332.395 -0.052 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N(C)C1CC1 ZINC000884617879 584629949 /nfs/dbraw/zinc/62/99/49/584629949.db2.gz UIYSGONLRIIOBI-MNOVXSKESA-N 1 3 332.395 -0.054 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000884612528 584629985 /nfs/dbraw/zinc/62/99/85/584629985.db2.gz NJFCZHDUORUHKM-TYNCELHUSA-N 1 3 326.466 -0.497 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884637509 584630606 /nfs/dbraw/zinc/63/06/06/584630606.db2.gz QPAVNZXQEBTFSZ-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000884640154 584631018 /nfs/dbraw/zinc/63/10/18/584631018.db2.gz VIBSPMIZFVGHDM-ZIAGYGMSSA-N 1 3 338.452 -0.304 20 0 EBADHO CCN(C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884669707 584632509 /nfs/dbraw/zinc/63/25/09/584632509.db2.gz DOQLAANGJRNTBE-LSDHHAIUSA-N 1 3 339.484 -0.804 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884669594 584632546 /nfs/dbraw/zinc/63/25/46/584632546.db2.gz APYQNGUGXNQDQC-HUUCEWRRSA-N 1 3 339.484 -0.674 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1c1ccncc1 ZINC000884688282 584634399 /nfs/dbraw/zinc/63/43/99/584634399.db2.gz XXXYRNCAEIMHRG-KBPBESRZSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692610 584634756 /nfs/dbraw/zinc/63/47/56/584634756.db2.gz KRXQRMAMNIECOL-DZGCQCFKSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CNC1 ZINC000884692610 584634758 /nfs/dbraw/zinc/63/47/58/584634758.db2.gz KRXQRMAMNIECOL-DZGCQCFKSA-N 1 3 330.432 -0.041 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884706328 584635022 /nfs/dbraw/zinc/63/50/22/584635022.db2.gz ZJQOIEVKUMYFEW-IGQOVBAYSA-N 1 3 338.452 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884706328 584635023 /nfs/dbraw/zinc/63/50/23/584635023.db2.gz ZJQOIEVKUMYFEW-IGQOVBAYSA-N 1 3 338.452 -0.232 20 0 EBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291686 584647478 /nfs/dbraw/zinc/64/74/78/584647478.db2.gz NOYCUVCPLHCNPA-VXGBXAGGSA-N 1 3 332.395 -0.100 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000887091874 584676361 /nfs/dbraw/zinc/67/63/61/584676361.db2.gz ZLORDGRFSOGXJO-HIFRSBDPSA-N 1 3 347.419 -0.695 20 0 EBADHO O[C@@H](CN[C@@H]1CCCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000905446312 650063410 /nfs/dbraw/zinc/06/34/10/650063410.db2.gz GETAOBHPYVUUQT-MSOLQXFVSA-N 1 3 340.512 -0.171 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911004121 650144680 /nfs/dbraw/zinc/14/46/80/650144680.db2.gz NBYRUOTXHISKOK-KBPBESRZSA-N 1 3 340.468 -0.343 20 0 EBADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027016 650146497 /nfs/dbraw/zinc/14/64/97/650146497.db2.gz BGCMRWYJUUSFKC-CABCVRRESA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911027016 650146499 /nfs/dbraw/zinc/14/64/99/650146499.db2.gz BGCMRWYJUUSFKC-CABCVRRESA-N 1 3 339.484 -0.756 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911149189 650154871 /nfs/dbraw/zinc/15/48/71/650154871.db2.gz VBPCKZPXDXDJJY-JJRVBVJISA-N 1 3 336.436 -0.680 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911161868 650155481 /nfs/dbraw/zinc/15/54/81/650155481.db2.gz OFRVUMZAYRHTAM-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911176003 650157167 /nfs/dbraw/zinc/15/71/67/650157167.db2.gz KNAKBOYQBZQFHS-KRWDZBQOSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298188 650167733 /nfs/dbraw/zinc/16/77/33/650167733.db2.gz SPBHAUWFWCNCMT-IPJQOSJUSA-N 1 3 338.452 -0.374 20 0 EBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911298188 650167734 /nfs/dbraw/zinc/16/77/34/650167734.db2.gz SPBHAUWFWCNCMT-IPJQOSJUSA-N 1 3 338.452 -0.374 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911259288 650163888 /nfs/dbraw/zinc/16/38/88/650163888.db2.gz XHILLKBBKKBVHA-SUMWQHHRSA-N 1 3 340.468 -0.465 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911441380 650184582 /nfs/dbraw/zinc/18/45/82/650184582.db2.gz GMKLNPKUSNTKOZ-RHSMWYFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000911533725 650191103 /nfs/dbraw/zinc/19/11/03/650191103.db2.gz QMESKZVMVVFPLP-CYBMUJFWSA-N 1 3 326.441 -0.589 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CN(S(C)(=O)=O)C1 ZINC000912304752 650202417 /nfs/dbraw/zinc/20/24/17/650202417.db2.gz QODQWZNBZYMGPR-LBPRGKRZSA-N 1 3 334.486 -0.734 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CN(S(C)(=O)=O)C1 ZINC000912304752 650202420 /nfs/dbraw/zinc/20/24/20/650202420.db2.gz QODQWZNBZYMGPR-LBPRGKRZSA-N 1 3 334.486 -0.734 20 0 EBADHO O=C(NC12CCN(CC1)C2)c1cc(C(=O)NC23CC[NH+](CC2)C3)[nH]n1 ZINC000913635479 650242312 /nfs/dbraw/zinc/24/23/12/650242312.db2.gz GQYRBJAWLRYLFK-UHFFFAOYSA-N 1 3 344.419 -0.434 20 0 EBADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000919517281 650302187 /nfs/dbraw/zinc/30/21/87/650302187.db2.gz NCJYDOCABGBSJC-MGPQQGTHSA-N 1 3 325.457 -0.034 20 0 EBADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000919517281 650302190 /nfs/dbraw/zinc/30/21/90/650302190.db2.gz NCJYDOCABGBSJC-MGPQQGTHSA-N 1 3 325.457 -0.034 20 0 EBADHO CC(C)COC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416532 650339319 /nfs/dbraw/zinc/33/93/19/650339319.db2.gz YOGMOVMRUAHJGV-BARDWOONSA-N 1 3 327.425 -0.113 20 0 EBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332506 650386462 /nfs/dbraw/zinc/38/64/62/650386462.db2.gz GEDVKTYNRPIIEL-YOEHRIQHSA-N 1 3 338.452 -0.480 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC1(C)C ZINC000926390036 650390924 /nfs/dbraw/zinc/39/09/24/650390924.db2.gz IWDZPTJWNCYJMG-INIZCTEOSA-N 1 3 326.441 -0.759 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)C[NH+](C)C ZINC000929401869 651545695 /nfs/dbraw/zinc/54/56/95/651545695.db2.gz KPXPTDAXPFKEMB-OAHLLOKOSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H]1CN(CCN2CCNC2=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170843 652701053 /nfs/dbraw/zinc/70/10/53/652701053.db2.gz VNXXGSPLYQFUHQ-HUUCEWRRSA-N 1 3 349.479 -0.066 20 0 EBADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000944241017 652724226 /nfs/dbraw/zinc/72/42/26/652724226.db2.gz WDOSRCSZRRVTEY-NWANDNLSSA-N 1 3 349.435 -0.446 20 0 EBADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000944241017 652724229 /nfs/dbraw/zinc/72/42/29/652724229.db2.gz WDOSRCSZRRVTEY-NWANDNLSSA-N 1 3 349.435 -0.446 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)CC1 ZINC000944656122 652939880 /nfs/dbraw/zinc/93/98/80/652939880.db2.gz ZFWNALOPIUQHBN-HNNXBMFYSA-N 1 3 349.435 -0.362 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000946918431 653262503 /nfs/dbraw/zinc/26/25/03/653262503.db2.gz JYEZKFQZWUMRRZ-KGLIPLIRSA-N 1 3 338.452 -0.698 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1 ZINC000946927390 653273678 /nfs/dbraw/zinc/27/36/78/653273678.db2.gz HSDVGPXRPGLSDQ-ZIAGYGMSSA-N 1 3 338.452 -0.840 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(O)(CN[C@@H]3CCNC3=O)CC2)C1 ZINC000946927390 653273682 /nfs/dbraw/zinc/27/36/82/653273682.db2.gz HSDVGPXRPGLSDQ-ZIAGYGMSSA-N 1 3 338.452 -0.840 20 0 EBADHO CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000946933016 653276991 /nfs/dbraw/zinc/27/69/91/653276991.db2.gz QJQYTIDGMZQYMM-AWEZNQCLSA-N 1 3 338.452 -0.744 20 0 EBADHO O=C(NC[C@H]1CN(CCn2cccn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215261 722328957 /nfs/dbraw/zinc/32/89/57/722328957.db2.gz VHNUMKKMOCBAJH-JKSUJKDBSA-N 1 3 347.463 -0.080 20 0 EBADHO Cn1cc(CCN2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](O)C2)cn1 ZINC000958592960 722397719 /nfs/dbraw/zinc/39/77/19/722397719.db2.gz ZBWYPMNNTVDMPO-HZPDHXFCSA-N 1 3 347.463 -0.533 20 0 EBADHO O=C(NC[C@H]1CN(CCn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595071 722398590 /nfs/dbraw/zinc/39/85/90/722398590.db2.gz PCZZHVITNWLTLQ-LSDHHAIUSA-N 1 3 333.436 -0.612 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000960003493 722782029 /nfs/dbraw/zinc/78/20/29/722782029.db2.gz PDXGXMIKMKNHEL-AALSBFMBSA-N 1 3 349.479 -0.212 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC000960003493 722782030 /nfs/dbraw/zinc/78/20/30/722782030.db2.gz PDXGXMIKMKNHEL-AALSBFMBSA-N 1 3 349.479 -0.212 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000960407705 722826590 /nfs/dbraw/zinc/82/65/90/722826590.db2.gz GKPIFDGRMVQENN-AEGPPILISA-N 1 3 347.419 -0.658 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000960407705 722826592 /nfs/dbraw/zinc/82/65/92/722826592.db2.gz GKPIFDGRMVQENN-AEGPPILISA-N 1 3 347.419 -0.658 20 0 EBADHO O=C(N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030247 728776806 /nfs/dbraw/zinc/77/68/06/728776806.db2.gz FOBGQKRONZFYQG-KBPBESRZSA-N 1 3 348.447 -0.142 20 0 EBADHO O=C(N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019088035 728793061 /nfs/dbraw/zinc/79/30/61/728793061.db2.gz KKYLHORLZNCQIF-QWHCGFSZSA-N 1 3 334.420 -0.390 20 0 EBADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000962553114 723282989 /nfs/dbraw/zinc/28/29/89/723282989.db2.gz KTYAMEUUTSUIJN-WCVJEAGWSA-N 1 3 332.452 -0.107 20 0 EBADHO Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000962553114 723282991 /nfs/dbraw/zinc/28/29/91/723282991.db2.gz KTYAMEUUTSUIJN-WCVJEAGWSA-N 1 3 332.452 -0.107 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001019382931 728875708 /nfs/dbraw/zinc/87/57/08/728875708.db2.gz PKUWSXDJPUECCS-CABCVRRESA-N 1 3 338.452 -0.623 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)C1 ZINC001019382931 728875711 /nfs/dbraw/zinc/87/57/11/728875711.db2.gz PKUWSXDJPUECCS-CABCVRRESA-N 1 3 338.452 -0.623 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001019438074 728883286 /nfs/dbraw/zinc/88/32/86/728883286.db2.gz FKMQTHZMIQJYRY-STQMWFEESA-N 1 3 340.449 -0.033 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001019494653 728900289 /nfs/dbraw/zinc/90/02/89/728900289.db2.gz MZTNPEZFGXZXFP-CYBMUJFWSA-N 1 3 331.420 -0.035 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001019494653 728900291 /nfs/dbraw/zinc/90/02/91/728900291.db2.gz MZTNPEZFGXZXFP-CYBMUJFWSA-N 1 3 331.420 -0.035 20 0 EBADHO C[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968648628 725095826 /nfs/dbraw/zinc/09/58/26/725095826.db2.gz VVLBKJYVZYXWFC-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)CN1CCCC1 ZINC000968648628 725095829 /nfs/dbraw/zinc/09/58/29/725095829.db2.gz VVLBKJYVZYXWFC-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000968719443 725109415 /nfs/dbraw/zinc/10/94/15/725109415.db2.gz UBRRFGTYJMJVCO-OLZOCXBDSA-N 1 3 334.424 -0.863 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CCC1 ZINC000968904369 725127194 /nfs/dbraw/zinc/12/71/94/725127194.db2.gz QXIOFRNUBSYBSO-CYBMUJFWSA-N 1 3 336.436 -0.190 20 0 EBADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC000970354613 725281649 /nfs/dbraw/zinc/28/16/49/725281649.db2.gz CMRQHRDXMNMDRU-HIFRSBDPSA-N 1 3 338.452 -0.482 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000972236395 725482332 /nfs/dbraw/zinc/48/23/32/725482332.db2.gz CJYPEXJXZVPDGT-VNHYZAJKSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000972236395 725482336 /nfs/dbraw/zinc/48/23/36/725482336.db2.gz CJYPEXJXZVPDGT-VNHYZAJKSA-N 1 3 331.420 -0.037 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001051651371 735292385 /nfs/dbraw/zinc/29/23/85/735292385.db2.gz KWSFOCXGOTVSDO-ZIAGYGMSSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC000976598427 726358152 /nfs/dbraw/zinc/35/81/52/726358152.db2.gz DSSCZUSNUMUMAB-UYLCMAPUSA-N 1 3 331.420 -0.135 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC000976598427 726358155 /nfs/dbraw/zinc/35/81/55/726358155.db2.gz DSSCZUSNUMUMAB-UYLCMAPUSA-N 1 3 331.420 -0.135 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)CC1 ZINC000976763017 726409443 /nfs/dbraw/zinc/40/94/43/726409443.db2.gz YJJXDEAYISEULX-QLPKVWCKSA-N 1 3 334.464 -0.003 20 0 EBADHO CC(C)(C(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749648 735370387 /nfs/dbraw/zinc/37/03/87/735370387.db2.gz HVAPOSOENOAMEO-UONOGXRCSA-N 1 3 338.452 -0.434 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1)N(C)C ZINC000997008600 726434735 /nfs/dbraw/zinc/43/47/35/726434735.db2.gz ADEBOWDESFUAOP-ZDUSSCGKSA-N 1 3 339.440 -0.541 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000999181773 726510105 /nfs/dbraw/zinc/51/01/05/726510105.db2.gz MKBSYBRMCZDVRW-ZIAGYGMSSA-N 1 3 348.451 -0.473 20 0 EBADHO C[C@H](N[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000999180180 726510142 /nfs/dbraw/zinc/51/01/42/726510142.db2.gz FQHBHZFDEJKONM-QWHCGFSZSA-N 1 3 336.440 -0.487 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000999468854 726520316 /nfs/dbraw/zinc/52/03/16/726520316.db2.gz JIKCHPBCZGLIKO-DCBWTQNWSA-N 1 3 340.449 -0.034 20 0 EBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000999833653 726534191 /nfs/dbraw/zinc/53/41/91/726534191.db2.gz OSWJJIQEGWFSIN-UHFFFAOYSA-N 1 3 336.436 -0.190 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999873039 726537186 /nfs/dbraw/zinc/53/71/86/726537186.db2.gz VLXPITHAPBILAD-CJNGLKHVSA-N 1 3 334.464 -0.003 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CCO2)n[nH]1 ZINC001051902773 735455320 /nfs/dbraw/zinc/45/53/20/735455320.db2.gz LLJUAMLWBGHZAI-UONOGXRCSA-N 1 3 336.440 -0.228 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CCO2)n[nH]1 ZINC001051902773 735455323 /nfs/dbraw/zinc/45/53/23/735455323.db2.gz LLJUAMLWBGHZAI-UONOGXRCSA-N 1 3 336.440 -0.228 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051943123 735477809 /nfs/dbraw/zinc/47/78/09/735477809.db2.gz ITOSEILKYRPQFA-HUUCEWRRSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001019815182 728998682 /nfs/dbraw/zinc/99/86/82/728998682.db2.gz BJWULDJDQJYVHK-KBPBESRZSA-N 1 3 336.436 -0.142 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001020178679 729092137 /nfs/dbraw/zinc/09/21/37/729092137.db2.gz AYIUDVDCPDKZQY-YHUYYLMFSA-N 1 3 333.436 -0.017 20 0 EBADHO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001020405887 729160016 /nfs/dbraw/zinc/16/00/16/729160016.db2.gz DNJXZVMMDIXRAJ-ZQYVVYLISA-N 1 3 348.447 -0.681 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020590356 729205981 /nfs/dbraw/zinc/20/59/81/729205981.db2.gz TYTMCWJXKGPKFA-JHJVBQTASA-N 1 3 337.424 -0.883 20 0 EBADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455626 729495419 /nfs/dbraw/zinc/49/54/19/729495419.db2.gz XJUSIPHQMPTLFO-HELXVEOTSA-N 1 3 336.436 -0.650 20 0 EBADHO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1=O ZINC001022455173 729495660 /nfs/dbraw/zinc/49/56/60/729495660.db2.gz JWDXNMGKUCEBCH-DMEBWAFSSA-N 1 3 348.447 -0.683 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001023024871 729580140 /nfs/dbraw/zinc/58/01/40/729580140.db2.gz JUOGVYKWPTVASL-RWMBFGLXSA-N 1 3 340.449 -0.068 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024180100 729856135 /nfs/dbraw/zinc/85/61/35/729856135.db2.gz SQNCFURXEMNVAG-YPMHNXCESA-N 1 3 333.392 -0.414 20 0 EBADHO CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908725 730104791 /nfs/dbraw/zinc/10/47/91/730104791.db2.gz WFASTDMUTWAGLB-DGLYNPCGSA-N 1 3 335.448 -0.069 20 0 EBADHO 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CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760764 731524151 /nfs/dbraw/zinc/52/41/51/731524151.db2.gz SNEYINIZSYREIB-YOEHRIQHSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760764 731524152 /nfs/dbraw/zinc/52/41/52/731524152.db2.gz SNEYINIZSYREIB-YOEHRIQHSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001040902304 731911336 /nfs/dbraw/zinc/91/13/36/731911336.db2.gz QCVGNOFXNKBSLA-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001040902304 731911335 /nfs/dbraw/zinc/91/13/35/731911335.db2.gz QCVGNOFXNKBSLA-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043160183 732796953 /nfs/dbraw/zinc/79/69/53/732796953.db2.gz XXEJEYFRDHFCKT-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001043160183 732796958 /nfs/dbraw/zinc/79/69/58/732796958.db2.gz XXEJEYFRDHFCKT-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043429367 732933664 /nfs/dbraw/zinc/93/36/64/732933664.db2.gz AIKRYELVTBWLFV-KBPBESRZSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043429367 732933666 /nfs/dbraw/zinc/93/36/66/732933666.db2.gz AIKRYELVTBWLFV-KBPBESRZSA-N 1 3 340.468 -0.786 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001043470881 732960555 /nfs/dbraw/zinc/96/05/55/732960555.db2.gz DBDVTPMNQJCYLV-KGLIPLIRSA-N 1 3 342.484 -0.398 20 0 EBADHO CN(CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)C1CCC1 ZINC001061663930 738683705 /nfs/dbraw/zinc/68/37/05/738683705.db2.gz SIGWIXNJITWOSC-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1)[NH+](C)C ZINC001044290557 733360234 /nfs/dbraw/zinc/36/02/34/733360234.db2.gz BKXSKLHVQNYPHD-OAHLLOKOSA-N 1 3 342.484 -0.398 20 0 EBADHO CC1CCN(CC(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)CC1 ZINC001046073537 733848967 /nfs/dbraw/zinc/84/89/67/733848967.db2.gz IEBDQDYKFRSEHN-KRWDZBQOSA-N 1 3 338.496 -0.071 20 0 EBADHO CC1CCN(CC(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CC1 ZINC001046073537 733848972 /nfs/dbraw/zinc/84/89/72/733848972.db2.gz IEBDQDYKFRSEHN-KRWDZBQOSA-N 1 3 338.496 -0.071 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046684305 734002619 /nfs/dbraw/zinc/00/26/19/734002619.db2.gz GSDCZBQHCQRPIS-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046684305 734002621 /nfs/dbraw/zinc/00/26/21/734002621.db2.gz GSDCZBQHCQRPIS-UONOGXRCSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001047323936 734134617 /nfs/dbraw/zinc/13/46/17/734134617.db2.gz BQUBGWDHNWFULO-PMPSAXMXSA-N 1 3 335.452 -0.440 20 0 EBADHO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001047323936 734134618 /nfs/dbraw/zinc/13/46/18/734134618.db2.gz BQUBGWDHNWFULO-PMPSAXMXSA-N 1 3 335.452 -0.440 20 0 EBADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CCC1 ZINC001048865137 734543586 /nfs/dbraw/zinc/54/35/86/734543586.db2.gz VXISKAATVVKCBM-VNHYZAJKSA-N 1 3 348.447 -0.334 20 0 EBADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CCC1 ZINC001048865137 734543591 /nfs/dbraw/zinc/54/35/91/734543591.db2.gz VXISKAATVVKCBM-VNHYZAJKSA-N 1 3 348.447 -0.334 20 0 EBADHO CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048880792 734555588 /nfs/dbraw/zinc/55/55/88/734555588.db2.gz PZJZZYHLUUUNFI-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048880792 734555589 /nfs/dbraw/zinc/55/55/89/734555589.db2.gz PZJZZYHLUUUNFI-ILXRZTDVSA-N 1 3 340.468 -0.690 20 0 EBADHO CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049083405 734640411 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NSSHDYKQKCQMDK-ZIAGYGMSSA-N 1 3 348.447 -0.332 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN([C@@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754044 734954340 /nfs/dbraw/zinc/95/43/40/734954340.db2.gz NSSHDYKQKCQMDK-ZIAGYGMSSA-N 1 3 348.447 -0.332 20 0 EBADHO CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC001055622324 736409333 /nfs/dbraw/zinc/40/93/33/736409333.db2.gz FDXUVIRIMCAVSF-MRXNPFEDSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057636708 737376691 /nfs/dbraw/zinc/37/66/91/737376691.db2.gz XIUYLPQHSITRCA-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057636708 737376697 /nfs/dbraw/zinc/37/66/97/737376697.db2.gz XIUYLPQHSITRCA-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001057659027 737396259 /nfs/dbraw/zinc/39/62/59/737396259.db2.gz IDLHMWRBPNSEQH-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057864230 737485047 /nfs/dbraw/zinc/48/50/47/737485047.db2.gz HPDKLMHWFTXBOY-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057864230 737485050 /nfs/dbraw/zinc/48/50/50/737485050.db2.gz HPDKLMHWFTXBOY-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876412 737495554 /nfs/dbraw/zinc/49/55/54/737495554.db2.gz JAGITKLKMQMOSG-INIZCTEOSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C)N(C)C ZINC001057975036 737571567 /nfs/dbraw/zinc/57/15/67/737571567.db2.gz CRENJEFDEBEKSB-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001058169768 737691404 /nfs/dbraw/zinc/69/14/04/737691404.db2.gz JOYOVMVTUIQBSS-KFWWJZLASA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001058169768 737691405 /nfs/dbraw/zinc/69/14/05/737691405.db2.gz JOYOVMVTUIQBSS-KFWWJZLASA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001058251064 737734406 /nfs/dbraw/zinc/73/44/06/737734406.db2.gz UEEJHPKZCQDXHT-LSDHHAIUSA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001058251064 737734407 /nfs/dbraw/zinc/73/44/07/737734407.db2.gz UEEJHPKZCQDXHT-LSDHHAIUSA-N 1 3 342.484 -0.539 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001058254230 737736469 /nfs/dbraw/zinc/73/64/69/737736469.db2.gz ZTYLIYIHRIVRBG-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CCC ZINC001058254230 737736475 /nfs/dbraw/zinc/73/64/75/737736475.db2.gz ZTYLIYIHRIVRBG-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058845202 738025221 /nfs/dbraw/zinc/02/52/21/738025221.db2.gz HYIXCYRXRRYLKU-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058845202 738025222 /nfs/dbraw/zinc/02/52/22/738025222.db2.gz HYIXCYRXRRYLKU-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948768 738088841 /nfs/dbraw/zinc/08/88/41/738088841.db2.gz DHZUSHMSUOYNOW-JSGCOSHPSA-N 1 3 337.424 -0.913 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1c[nH]cn1 ZINC001058948768 738088847 /nfs/dbraw/zinc/08/88/47/738088847.db2.gz DHZUSHMSUOYNOW-JSGCOSHPSA-N 1 3 337.424 -0.913 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065169555 739574487 /nfs/dbraw/zinc/57/44/87/739574487.db2.gz NQXMZMZUVWPYHP-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001065169555 739574491 /nfs/dbraw/zinc/57/44/91/739574491.db2.gz NQXMZMZUVWPYHP-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065169556 739574588 /nfs/dbraw/zinc/57/45/88/739574588.db2.gz NQXMZMZUVWPYHP-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001065169556 739574590 /nfs/dbraw/zinc/57/45/90/739574590.db2.gz NQXMZMZUVWPYHP-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065256325 739616263 /nfs/dbraw/zinc/61/62/63/739616263.db2.gz JSELJCKKAFPENI-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001065256325 739616265 /nfs/dbraw/zinc/61/62/65/739616265.db2.gz JSELJCKKAFPENI-CABCVRRESA-N 1 3 340.468 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065409648 739693838 /nfs/dbraw/zinc/69/38/38/739693838.db2.gz MJLLXTRQQXKPCS-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001065409648 739693840 /nfs/dbraw/zinc/69/38/40/739693840.db2.gz MJLLXTRQQXKPCS-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)N(C)C ZINC001065572749 739768974 /nfs/dbraw/zinc/76/89/74/739768974.db2.gz WQNPQYCGTHPXRV-GOEBONIOSA-N 1 3 342.484 -0.132 20 0 EBADHO CC[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2)N(C)C ZINC001069012506 740522812 /nfs/dbraw/zinc/52/28/12/740522812.db2.gz FRBJLRVPOXWHED-KGLIPLIRSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@@H]1n1ccnn1 ZINC001070238365 740764607 /nfs/dbraw/zinc/76/46/07/740764607.db2.gz IAELAUNRQZXZSI-WCCAFZKYSA-N 1 3 346.435 -0.497 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070284385 740777931 /nfs/dbraw/zinc/77/79/31/740777931.db2.gz ARKWWGQLTVATDU-CFVMTHIKSA-N 1 3 345.407 -0.378 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071043082 741048207 /nfs/dbraw/zinc/04/82/07/741048207.db2.gz VICOFJWLQLSAAP-FMKPAKJESA-N 1 3 338.452 -0.448 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071043083 741048288 /nfs/dbraw/zinc/04/82/88/741048288.db2.gz VICOFJWLQLSAAP-YCPHGPKFSA-N 1 3 338.452 -0.448 20 0 EBADHO C[NH+](C)CCC(=O)N1CC(N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001073607247 741682951 /nfs/dbraw/zinc/68/29/51/741682951.db2.gz QLIGKQKQPHBXHA-UHFFFAOYSA-N 1 3 348.451 -0.741 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074519994 741980169 /nfs/dbraw/zinc/98/01/69/741980169.db2.gz NOKVZZXEBNLVAQ-CQSZACIVSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565043 741999911 /nfs/dbraw/zinc/99/99/11/741999911.db2.gz PEXJZEZHKHDCTD-AVGNSLFASA-N 1 3 337.424 -0.789 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074712917 742083160 /nfs/dbraw/zinc/08/31/60/742083160.db2.gz AGJJKWPNAVZKHX-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001074758567 742101156 /nfs/dbraw/zinc/10/11/56/742101156.db2.gz CJWVBMUHLUQKOC-ZDUSSCGKSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCC2(O)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001074758567 742101159 /nfs/dbraw/zinc/10/11/59/742101159.db2.gz CJWVBMUHLUQKOC-ZDUSSCGKSA-N 1 3 349.435 -0.626 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C)C1 ZINC001074878310 742126500 /nfs/dbraw/zinc/12/65/00/742126500.db2.gz MSZYHAMBSOYKNA-KKUMJFAQSA-N 1 3 337.468 -0.068 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C)N(C)C ZINC001074885760 742127324 /nfs/dbraw/zinc/12/73/24/742127324.db2.gz WAAZFPRRAUBRQT-IHRRRGAJSA-N 1 3 325.457 -0.069 20 0 EBADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001076627774 742517981 /nfs/dbraw/zinc/51/79/81/742517981.db2.gz ZUQIRTPZAGMTSW-AWEZNQCLSA-N 1 3 330.473 -0.083 20 0 EBADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)N(C)C)NC(=O)COCC[NH+](C)C ZINC001076956014 742662200 /nfs/dbraw/zinc/66/22/00/742662200.db2.gz CXQOGPWVXBCYJE-XJKSGUPXSA-N 1 3 342.484 -0.084 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCNC2=O)C3)C1 ZINC000982150673 806411897 /nfs/dbraw/zinc/41/18/97/806411897.db2.gz PQTMSRKUIAJCJO-HNNXBMFYSA-N 1 3 349.479 -0.112 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCNC2=O)C3)C1 ZINC000982150673 806411905 /nfs/dbraw/zinc/41/19/05/806411905.db2.gz PQTMSRKUIAJCJO-HNNXBMFYSA-N 1 3 349.479 -0.112 20 0 EBADHO NS(=O)(=O)CC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397497775 803776630 /nfs/dbraw/zinc/77/66/30/803776630.db2.gz SARDNBSGCJJPFL-UHFFFAOYSA-N 1 3 327.450 -0.108 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976870700 803925755 /nfs/dbraw/zinc/92/57/55/803925755.db2.gz RAUAIQMNPKZDAH-NHAGDIPZSA-N 1 3 329.404 -0.379 20 0 EBADHO CN(CC(N)=O)C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000985543434 807534885 /nfs/dbraw/zinc/53/48/85/807534885.db2.gz ONRFLRSRAARCLA-TVIZTDCDSA-N 1 3 336.436 -0.742 20 0 EBADHO CN(CC(N)=O)C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000985543434 807534891 /nfs/dbraw/zinc/53/48/91/807534891.db2.gz ONRFLRSRAARCLA-TVIZTDCDSA-N 1 3 336.436 -0.742 20 0 EBADHO C[N@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985792004 807584496 /nfs/dbraw/zinc/58/44/96/807584496.db2.gz LVNDHRKKPXDDDA-AWEZNQCLSA-N 1 3 336.436 -0.190 20 0 EBADHO C[N@@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985792004 807584499 /nfs/dbraw/zinc/58/44/99/807584499.db2.gz LVNDHRKKPXDDDA-AWEZNQCLSA-N 1 3 336.436 -0.190 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491551 808488848 /nfs/dbraw/zinc/48/88/48/808488848.db2.gz HTQKBAARFUJXIS-CMPLNLGQSA-N 1 3 334.380 -0.917 20 0 EBADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001215599066 810337824 /nfs/dbraw/zinc/33/78/24/810337824.db2.gz PMLMGFXBXGTGCS-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001215599067 810337979 /nfs/dbraw/zinc/33/79/79/810337979.db2.gz PMLMGFXBXGTGCS-MGPQQGTHSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215685743 810340596 /nfs/dbraw/zinc/34/05/96/810340596.db2.gz VGFXDGMHDYJOCZ-BPLDGKMQSA-N 1 3 332.408 -0.354 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215685748 810340821 /nfs/dbraw/zinc/34/08/21/810340821.db2.gz VGFXDGMHDYJOCZ-VHDGCEQUSA-N 1 3 332.408 -0.354 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]C[C@@H]1F ZINC001218064986 810474531 /nfs/dbraw/zinc/47/45/31/810474531.db2.gz CEIRBTSFVVKESQ-IUCAKERBSA-N 1 3 342.371 -0.161 20 0 EBADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218553492 810502871 /nfs/dbraw/zinc/50/28/71/810502871.db2.gz CYKPGIDUJVVGKN-ZETCQYMHSA-N 1 3 343.409 -0.187 20 0 EBADHO CN1CCN(c2cc(NC(=O)[C@@H](N)CSCC[NH3+])ncn2)CC1 ZINC001218572605 810506297 /nfs/dbraw/zinc/50/62/97/810506297.db2.gz KATZMWIDOGZINU-NSHDSACASA-N 1 3 339.469 -0.814 20 0 EBADHO O=C(Nc1ncccc1CN1CCOCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001218698271 810521897 /nfs/dbraw/zinc/52/18/97/810521897.db2.gz HTRPSMHJYZNXBB-CQSZACIVSA-N 1 3 331.420 -0.339 20 0 EBADHO COC(=O)c1c[nH]c2ncnc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)c12 ZINC001218772635 810530685 /nfs/dbraw/zinc/53/06/85/810530685.db2.gz RYZQUOQKYDHIFL-JDNHERCYSA-N 1 3 344.375 -0.118 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218938978 810547977 /nfs/dbraw/zinc/54/79/77/810547977.db2.gz YVULLMJMAKGNGT-HZMBPMFUSA-N 1 3 347.419 -0.979 20 0 EBADHO COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C(N)=O)cc1OC ZINC001218968451 810549346 /nfs/dbraw/zinc/54/93/46/810549346.db2.gz HCKGIXGADAVPIK-BMLIUANNSA-N 1 3 348.403 -0.060 20 0 EBADHO N[C@H](C[NH3+])c1ccc(C(=O)NCc2nnc3n2CCCNC3)cc1 ZINC001219751824 810825136 /nfs/dbraw/zinc/82/51/36/810825136.db2.gz XLVNXVHFXZGCOX-CYBMUJFWSA-N 1 3 329.408 -0.340 20 0 EBADHO NC1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838633 810871377 /nfs/dbraw/zinc/87/13/77/810871377.db2.gz SKVAYJHSVHEZAL-KDOFPFPSSA-N 1 3 345.443 -0.006 20 0 EBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839358 810872483 /nfs/dbraw/zinc/87/24/83/810872483.db2.gz YWZACXLOJYWOJW-YXWQFLTLSA-N 1 3 329.416 -0.165 20 0 EBADHO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cncc2c1CCNC2 ZINC001219843812 810874644 /nfs/dbraw/zinc/87/46/44/810874644.db2.gz DBZARZURXZEDGL-SCLBCKFNSA-N 1 3 346.431 -0.148 20 0 EBADHO N[C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCC2(CC1)OCCO2 ZINC001219856469 810880323 /nfs/dbraw/zinc/88/03/23/810880323.db2.gz NVWXOIHTRJWJAD-RQJABVFESA-N 1 3 325.409 -0.650 20 0 EBADHO CCOC(=O)c1nnc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)o1 ZINC001220011600 810947450 /nfs/dbraw/zinc/94/74/50/810947450.db2.gz ZTSLBATVHOJAEE-JTQLQIEISA-N 1 3 327.385 -0.078 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001220064226 810966927 /nfs/dbraw/zinc/96/69/27/810966927.db2.gz WKJSUODUGUGFCB-AVGNSLFASA-N 1 3 341.456 -0.926 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001220064226 810966932 /nfs/dbraw/zinc/96/69/32/810966932.db2.gz WKJSUODUGUGFCB-AVGNSLFASA-N 1 3 341.456 -0.926 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220187127 811009879 /nfs/dbraw/zinc/00/98/79/811009879.db2.gz YUAWBCKCOYZSHO-ZDUSSCGKSA-N 1 3 326.422 -0.505 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220229042 811025814 /nfs/dbraw/zinc/02/58/14/811025814.db2.gz JZDDCUGHTOVJDO-ZNMIVQPWSA-N 1 3 325.453 -0.084 20 0 EBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220238232 811032642 /nfs/dbraw/zinc/03/26/42/811032642.db2.gz QPBWMDVOHUYTFX-ZNMIVQPWSA-N 1 3 340.468 -0.594 20 0 EBADHO COC(=O)C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)OC(C)(C)C ZINC001220379302 811082644 /nfs/dbraw/zinc/08/26/44/811082644.db2.gz PPDMVVXCWHZNPP-QWRGUYRKSA-N 1 3 341.408 -0.815 20 0 EBADHO O=C(NC[C@@H]1COCCN1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220431913 811105770 /nfs/dbraw/zinc/10/57/70/811105770.db2.gz SRZHHRIPNHVPCT-IAGOWNOFSA-N 1 3 344.459 -0.187 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001036197113 811117826 /nfs/dbraw/zinc/11/78/26/811117826.db2.gz DETAJMGNAMVKNP-AAEUAGOBSA-N 1 3 348.407 -0.669 20 0 EBADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220565585 811157663 /nfs/dbraw/zinc/15/76/63/811157663.db2.gz NVEFYKHQZKICBY-QIIPPGSGSA-N 1 3 346.431 -0.129 20 0 EBADHO C[S@](=O)CC[C@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651944 811189829 /nfs/dbraw/zinc/18/98/29/811189829.db2.gz RZJREIZPSWRJCV-PSLXWICFSA-N 1 3 338.477 -0.192 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220768643 811234589 /nfs/dbraw/zinc/23/45/89/811234589.db2.gz WPRXLOSACQGVHW-KFWWJZLASA-N 1 3 329.441 -0.848 20 0 EBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220900377 811286669 /nfs/dbraw/zinc/28/66/69/811286669.db2.gz IJTULLWMXNLPFG-GJZGRUSLSA-N 1 3 337.468 -0.874 20 0 EBADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221248150 811426042 /nfs/dbraw/zinc/42/60/42/811426042.db2.gz LAUDNWHHQZJQLO-DZGCQCFKSA-N 1 3 341.477 -0.198 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221789162 811536068 /nfs/dbraw/zinc/53/60/68/811536068.db2.gz IJTOKXVFFUQOAN-BZUAXINKSA-N 1 3 335.452 -0.272 20 0 EBADHO COCCOC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791276 811537144 /nfs/dbraw/zinc/53/71/44/811537144.db2.gz DWEIOUXKFVPWGS-OWCLPIDISA-N 1 3 343.468 -0.505 20 0 EBADHO S=C(NCCN1CCCCC1)N1CCNCC[NH2+]CCNCC1 ZINC001239439537 812553232 /nfs/dbraw/zinc/55/32/32/812553232.db2.gz RTBVTDFRTMOCSQ-UHFFFAOYSA-N 1 3 342.557 -0.569 20 0 EBADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOC2(CNC2)C1 ZINC001246023195 812559427 /nfs/dbraw/zinc/55/94/27/812559427.db2.gz MEGCFBDBRCNMDV-LSDHHAIUSA-N 1 3 327.375 -0.130 20 0 EBADHO COC(=O)C1C[C@@H]2CC(N[C@H]3CCN[C@H](C(=O)OC)C3)C[C@H](C1)[NH2+]2 ZINC001246462290 812572860 /nfs/dbraw/zinc/57/28/60/812572860.db2.gz HNEKDENAPNUWEV-GMKNIICJSA-N 1 3 339.436 -0.058 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC[C@@]12CC[NH2+]C2)O3 ZINC001247012949 812595656 /nfs/dbraw/zinc/59/56/56/812595656.db2.gz VJJFWGFQONCRJJ-MRLBHPIUSA-N 1 3 327.450 -0.337 20 0 EBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C1CCC2(C[NH2+]C2)CC1)O3 ZINC001247013845 812595746 /nfs/dbraw/zinc/59/57/46/812595746.db2.gz ZNHWXENGJCJBEC-IPYPFGDCSA-N 1 3 327.450 -0.337 20 0 EBADHO COC(=O)CC[N@H+](CCCN(C)C)C[C@H](O)CN1CCOCC1 ZINC001251015967 812614443 /nfs/dbraw/zinc/61/44/43/812614443.db2.gz PXMPAQGQMLDMQQ-HNNXBMFYSA-N 1 3 331.457 -0.504 20 0 EBADHO COC(=O)CC[N@@H+](CCCN(C)C)C[C@H](O)CN1CCOCC1 ZINC001251015967 812614449 /nfs/dbraw/zinc/61/44/49/812614449.db2.gz PXMPAQGQMLDMQQ-HNNXBMFYSA-N 1 3 331.457 -0.504 20 0 EBADHO C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(CCn2cncn2)CC1 ZINC001265240476 813269351 /nfs/dbraw/zinc/26/93/51/813269351.db2.gz RGZPDZNWHFGTKD-MRXNPFEDSA-N 1 3 349.483 -0.504 20 0 EBADHO C[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(CCn2cncn2)CC1 ZINC001265240476 813269359 /nfs/dbraw/zinc/26/93/59/813269359.db2.gz RGZPDZNWHFGTKD-MRXNPFEDSA-N 1 3 349.483 -0.504 20 0 EBADHO C[C@H](O)CN1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265253433 813277642 /nfs/dbraw/zinc/27/76/42/813277642.db2.gz PSIZFLBXRRZHIS-HOTGVXAUSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@H](O)CN1CCN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001265253433 813277648 /nfs/dbraw/zinc/27/76/48/813277648.db2.gz PSIZFLBXRRZHIS-HOTGVXAUSA-N 1 3 326.485 -0.167 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001265690927 813358823 /nfs/dbraw/zinc/35/88/23/813358823.db2.gz AHBRXFKGIQPXGP-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001265690927 813358827 /nfs/dbraw/zinc/35/88/27/813358827.db2.gz AHBRXFKGIQPXGP-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO CS(=O)(=O)NCCN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001265947303 813423807 /nfs/dbraw/zinc/42/38/07/813423807.db2.gz DWZMAEICJZPBTD-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001266004368 813437412 /nfs/dbraw/zinc/43/74/12/813437412.db2.gz DCOQUGASXCXHBZ-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081700764 813438686 /nfs/dbraw/zinc/43/86/86/813438686.db2.gz LAYKAGUSJSKNPA-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037127 813444567 /nfs/dbraw/zinc/44/45/67/813444567.db2.gz KSAOWAPNBJBPEH-CQSZACIVSA-N 1 3 346.497 -0.540 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001266125567 813462883 /nfs/dbraw/zinc/46/28/83/813462883.db2.gz FMSTTZNYXLIALQ-UONOGXRCSA-N 1 3 336.436 -0.144 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001266125567 813462887 /nfs/dbraw/zinc/46/28/87/813462887.db2.gz FMSTTZNYXLIALQ-UONOGXRCSA-N 1 3 336.436 -0.144 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081736654 813494379 /nfs/dbraw/zinc/49/43/79/813494379.db2.gz YQUCNMFPJOIGDQ-UONOGXRCSA-N 1 3 328.457 -0.786 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001266439482 813571320 /nfs/dbraw/zinc/57/13/20/813571320.db2.gz PPTQQOVKBTVLPK-AWEZNQCLSA-N 1 3 347.419 -0.106 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266988036 813720727 /nfs/dbraw/zinc/72/07/27/813720727.db2.gz CMRSRZXGFFPYHS-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC1CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266988036 813720730 /nfs/dbraw/zinc/72/07/30/813720730.db2.gz CMRSRZXGFFPYHS-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001266989090 813722442 /nfs/dbraw/zinc/72/24/42/813722442.db2.gz SDNITEHJPUSIOD-KGLIPLIRSA-N 1 3 348.513 -0.344 20 0 EBADHO O=C(NC[C@@H]1CCCN1CCOCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266260 813810466 /nfs/dbraw/zinc/81/04/66/813810466.db2.gz CBVPJADKWYJRCG-JKSUJKDBSA-N 1 3 325.453 -0.082 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267280382 813818713 /nfs/dbraw/zinc/81/87/13/813818713.db2.gz ADDXGKMEILETTA-JKSUJKDBSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267280382 813818718 /nfs/dbraw/zinc/81/87/18/813818718.db2.gz ADDXGKMEILETTA-JKSUJKDBSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC001267563886 813931231 /nfs/dbraw/zinc/93/12/31/813931231.db2.gz HTZFIMXPYDSLBG-UONOGXRCSA-N 1 3 338.452 -0.038 20 0 EBADHO C[NH+](C)CCCC(=O)NCC[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 ZINC001267563887 813931963 /nfs/dbraw/zinc/93/19/63/813931963.db2.gz HTZFIMXPYDSLBG-ZIAGYGMSSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082827954 814013274 /nfs/dbraw/zinc/01/32/74/814013274.db2.gz JCMLSTSPNMROSX-BPLDGKMQSA-N 1 3 338.452 -0.578 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082829031 814013422 /nfs/dbraw/zinc/01/34/22/814013422.db2.gz YYSQNQBLKCHDMH-MBNYWOFBSA-N 1 3 326.441 -0.593 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268591260 814308839 /nfs/dbraw/zinc/30/88/39/814308839.db2.gz PQCLILOSDOLUCF-PCAWENJQSA-N 1 3 325.413 -0.954 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268591260 814308848 /nfs/dbraw/zinc/30/88/48/814308848.db2.gz PQCLILOSDOLUCF-PCAWENJQSA-N 1 3 325.413 -0.954 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)N(C)C ZINC001269523160 814718636 /nfs/dbraw/zinc/71/86/36/814718636.db2.gz YZBNNSUFUAHOML-HNNXBMFYSA-N 1 3 338.452 -0.040 20 0 EBADHO CS(=O)(=O)CCNC[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270050820 815674401 /nfs/dbraw/zinc/67/44/01/815674401.db2.gz PKSNSWVLGVJZJL-LSDHHAIUSA-N 1 3 343.493 -0.047 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001270921017 815932046 /nfs/dbraw/zinc/93/20/46/815932046.db2.gz DHFZHOIWIFQQSP-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001272555700 816472665 /nfs/dbraw/zinc/47/26/65/816472665.db2.gz QPPPUABGBXQQNT-ARFHVFGLSA-N 1 3 332.452 -0.312 20 0 EBADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001272555700 816472667 /nfs/dbraw/zinc/47/26/67/816472667.db2.gz QPPPUABGBXQQNT-ARFHVFGLSA-N 1 3 332.452 -0.312 20 0 EBADHO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001273019317 816568566 /nfs/dbraw/zinc/56/85/66/816568566.db2.gz VHJCJMIAEZIWBY-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088046439 816609756 /nfs/dbraw/zinc/60/97/56/816609756.db2.gz UQRHNVBXGFJFTM-PLQZLIEUSA-N 1 3 335.448 -0.378 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088046439 816609759 /nfs/dbraw/zinc/60/97/59/816609759.db2.gz UQRHNVBXGFJFTM-PLQZLIEUSA-N 1 3 335.448 -0.378 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001089040369 816787012 /nfs/dbraw/zinc/78/70/12/816787012.db2.gz NUUFTJADKHUCIT-KGLIPLIRSA-N 1 3 336.436 -0.190 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001089040369 816787014 /nfs/dbraw/zinc/78/70/14/816787014.db2.gz NUUFTJADKHUCIT-KGLIPLIRSA-N 1 3 336.436 -0.190 20 0 EBADHO C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CCN3CC(N)=O)CC1 ZINC001274062096 816852302 /nfs/dbraw/zinc/85/23/02/816852302.db2.gz LRSCXDVFHPJUMD-HUUCEWRRSA-N 1 3 337.468 -0.826 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274209181 816895877 /nfs/dbraw/zinc/89/58/77/816895877.db2.gz YPFFKBPBVBCCNC-OCCSQVGLSA-N 1 3 346.497 -0.544 20 0 EBADHO CC[NH+](CC)C[C@@H](O)CN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274656895 817060745 /nfs/dbraw/zinc/06/07/45/817060745.db2.gz SNYFRMPDJYMPNS-OAHLLOKOSA-N 1 3 342.484 -0.836 20 0 EBADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC(N)=O ZINC001276075995 817354365 /nfs/dbraw/zinc/35/43/65/817354365.db2.gz HKWUKDRKWNVBJJ-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001276616387 817440418 /nfs/dbraw/zinc/44/04/18/817440418.db2.gz BXMWBNXAYDIHFU-STQMWFEESA-N 1 3 347.419 -0.162 20 0 EBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001276616387 817440425 /nfs/dbraw/zinc/44/04/25/817440425.db2.gz BXMWBNXAYDIHFU-STQMWFEESA-N 1 3 347.419 -0.162 20 0 EBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276625894 817441876 /nfs/dbraw/zinc/44/18/76/817441876.db2.gz HTYUKNWMPPLIDL-KGLIPLIRSA-N 1 3 337.424 -0.357 20 0 EBADHO CN(CC(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)C1CCC1 ZINC001277080862 817518959 /nfs/dbraw/zinc/51/89/59/817518959.db2.gz YBQPOFPJCBAFGF-UHFFFAOYSA-N 1 3 336.436 -0.142 20 0 EBADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001277824116 817641266 /nfs/dbraw/zinc/64/12/66/817641266.db2.gz TWHBESDYWIQCER-JKSUJKDBSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001278324253 817741690 /nfs/dbraw/zinc/74/16/90/817741690.db2.gz FCKNXORHGPTTNN-OLZOCXBDSA-N 1 3 339.440 -0.543 20 0 EBADHO CN(CCOCCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001279458071 817936219 /nfs/dbraw/zinc/93/62/19/817936219.db2.gz WPXRDUGFBSBMOM-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(CCOCCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001279458071 817936220 /nfs/dbraw/zinc/93/62/20/817936220.db2.gz WPXRDUGFBSBMOM-CQSZACIVSA-N 1 3 342.484 -0.083 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279736757 817978916 /nfs/dbraw/zinc/97/89/16/817978916.db2.gz FQOZLEPXXMTPRE-CABCVRRESA-N 1 3 340.468 -0.450 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001279736757 817978925 /nfs/dbraw/zinc/97/89/25/817978925.db2.gz FQOZLEPXXMTPRE-CABCVRRESA-N 1 3 340.468 -0.450 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001280207138 818025535 /nfs/dbraw/zinc/02/55/35/818025535.db2.gz GIEZLJLWVHAWPA-CYBMUJFWSA-N 1 3 334.424 -0.194 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094074814 818152908 /nfs/dbraw/zinc/15/29/08/818152908.db2.gz MRAIKGHDYCCXRX-WZRBSPASSA-N 1 3 333.392 -0.559 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O)N(C)C ZINC001281935893 818320942 /nfs/dbraw/zinc/32/09/42/818320942.db2.gz VFYUXZFCVHSOAX-ILXRZTDVSA-N 1 3 342.484 -0.254 20 0 EBADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001097564266 819002175 /nfs/dbraw/zinc/00/21/75/819002175.db2.gz AQJIEGKMYCIYDY-PQIGMKOUSA-N 1 3 335.448 -0.047 20 0 EBADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001097564266 819002184 /nfs/dbraw/zinc/00/21/84/819002184.db2.gz AQJIEGKMYCIYDY-PQIGMKOUSA-N 1 3 335.448 -0.047 20 0 EBADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1)N(C)C ZINC001098403997 819172146 /nfs/dbraw/zinc/17/21/46/819172146.db2.gz BQWYOVCICRKZGX-JKSUJKDBSA-N 1 3 345.484 -0.381 20 0 EBADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)C[C@H](O)COC)CC1)N(C)C ZINC001098403997 819172152 /nfs/dbraw/zinc/17/21/52/819172152.db2.gz BQWYOVCICRKZGX-JKSUJKDBSA-N 1 3 345.484 -0.381 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)CCC1 ZINC001284416037 819221352 /nfs/dbraw/zinc/22/13/52/819221352.db2.gz KFVSPKSWROKOBP-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO CCOCCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050690 820126076 /nfs/dbraw/zinc/12/60/76/820126076.db2.gz LOGXHRIXPJEUTF-CVEARBPZSA-N 1 3 343.468 -0.315 20 0 EBADHO CC(C)OCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074622 820166676 /nfs/dbraw/zinc/16/66/76/820166676.db2.gz QBPCVKZFGVHCRB-LSDHHAIUSA-N 1 3 331.457 -0.459 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001100076852 820172071 /nfs/dbraw/zinc/17/20/71/820172071.db2.gz SOPRWCSYBBXHAF-JKSUJKDBSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001100405811 820406284 /nfs/dbraw/zinc/40/62/84/820406284.db2.gz NJCDSRWELNQDGW-VOMCLLRMSA-N 1 3 339.440 -0.462 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408189 820407291 /nfs/dbraw/zinc/40/72/91/820407291.db2.gz XWDXIOXUOJRNFB-OVGLSYRBSA-N 1 3 339.440 -0.733 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001100428115 820417980 /nfs/dbraw/zinc/41/79/80/820417980.db2.gz YNPVQNWSUROLOJ-RUXDESIVSA-N 1 3 348.513 -0.394 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100678276 820508986 /nfs/dbraw/zinc/50/89/86/820508986.db2.gz FXPMCZSPIIOWKE-IYXRBSQSSA-N 1 3 346.497 -0.638 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001100683560 820511303 /nfs/dbraw/zinc/51/13/03/820511303.db2.gz HQIDYFGIQNUTMN-RUXDESIVSA-N 1 3 325.457 -0.164 20 0 EBADHO CCn1nncc1CNC1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870815 820585393 /nfs/dbraw/zinc/58/53/93/820585393.db2.gz OEYVMHDAQCPDLY-UHFFFAOYSA-N 1 3 338.456 -0.139 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101351481 820764263 /nfs/dbraw/zinc/76/42/63/820764263.db2.gz HHBIVIXRXQZPNN-PBHICJAKSA-N 1 3 337.468 -0.256 20 0 EBADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513272 821133913 /nfs/dbraw/zinc/13/39/13/821133913.db2.gz CJDJXTDKKWDROJ-MCIONIFRSA-N 1 3 328.457 -0.487 20 0 EBADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)N(C)C ZINC001103140334 821265031 /nfs/dbraw/zinc/26/50/31/821265031.db2.gz YYIGFGMLAHTEGM-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)N(C)C ZINC001103140334 821265037 /nfs/dbraw/zinc/26/50/37/821265037.db2.gz YYIGFGMLAHTEGM-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001316622429 821819136 /nfs/dbraw/zinc/81/91/36/821819136.db2.gz NVEJFKOYWNHUNE-SFDCQRBFSA-N 1 3 338.452 -0.138 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001317310684 822078403 /nfs/dbraw/zinc/07/84/03/822078403.db2.gz WPHWSSIAXFGSCC-KBPBESRZSA-N 1 3 336.436 -0.142 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001317341662 822088414 /nfs/dbraw/zinc/08/84/14/822088414.db2.gz BJBNMHNDOMRXJM-QWHCGFSZSA-N 1 3 334.486 -0.686 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001128552668 828473922 /nfs/dbraw/zinc/47/39/22/828473922.db2.gz RRPBPYUVMYTRQF-KBPBESRZSA-N 1 3 348.463 -0.087 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129351099 828603585 /nfs/dbraw/zinc/60/35/85/828603585.db2.gz KOSLUUQQCLLAHK-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)NC1CC1 ZINC001129363821 828604702 /nfs/dbraw/zinc/60/47/02/828604702.db2.gz KLEYLXXYUPPUIQ-OAHLLOKOSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)NC1CC1 ZINC001129363821 828604705 /nfs/dbraw/zinc/60/47/05/828604705.db2.gz KLEYLXXYUPPUIQ-OAHLLOKOSA-N 1 3 338.452 -0.386 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CCC1 ZINC001129358887 828604950 /nfs/dbraw/zinc/60/49/50/828604950.db2.gz XLCPBMOTKKLQEE-ZDUSSCGKSA-N 1 3 346.497 -0.542 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129364328 828606221 /nfs/dbraw/zinc/60/62/21/828606221.db2.gz SKHINNLIFWOBJE-UONOGXRCSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444464 828620448 /nfs/dbraw/zinc/62/04/48/828620448.db2.gz SXIPEGAHMJSECH-AWEZNQCLSA-N 1 3 341.456 -0.486 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894533 828690335 /nfs/dbraw/zinc/69/03/35/828690335.db2.gz IVAHYLZZRZORKP-KGLIPLIRSA-N 1 3 336.440 -0.514 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856370 828682439 /nfs/dbraw/zinc/68/24/39/828682439.db2.gz PXKTUGOOLKMNFF-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856370 828682443 /nfs/dbraw/zinc/68/24/43/828682443.db2.gz PXKTUGOOLKMNFF-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001129950526 828699728 /nfs/dbraw/zinc/69/97/28/828699728.db2.gz WBSWINYMNBTIAZ-YPMHNXCESA-N 1 3 341.456 -0.345 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005951 828713494 /nfs/dbraw/zinc/71/34/94/828713494.db2.gz MVQNFBQUZVVQPS-ZNMIVQPWSA-N 1 3 336.440 -0.392 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130047887 828722438 /nfs/dbraw/zinc/72/24/38/828722438.db2.gz YHORRYPJCGMMDB-KFWWJZLASA-N 1 3 338.456 -0.004 20 0 EBADHO COCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137268 828739098 /nfs/dbraw/zinc/73/90/98/828739098.db2.gz QMTPHMAMLVEGBK-CABCVRRESA-N 1 3 338.456 -0.004 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170396 828745189 /nfs/dbraw/zinc/74/51/89/828745189.db2.gz YRJPABCUMIHAMU-UHFFFAOYSA-N 1 3 339.440 -0.586 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001130421924 828827007 /nfs/dbraw/zinc/82/70/07/828827007.db2.gz OYEODPMOFLEYPZ-UHFFFAOYSA-N 1 3 339.440 -0.980 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001130421924 828827014 /nfs/dbraw/zinc/82/70/14/828827014.db2.gz OYEODPMOFLEYPZ-UHFFFAOYSA-N 1 3 339.440 -0.980 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001179925525 833026915 /nfs/dbraw/zinc/02/69/15/833026915.db2.gz PTCQTRJEKJATHW-TUAOUCFPSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001179925525 833026923 /nfs/dbraw/zinc/02/69/23/833026923.db2.gz PTCQTRJEKJATHW-TUAOUCFPSA-N 1 3 325.413 -0.898 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC1 ZINC001114745636 826331477 /nfs/dbraw/zinc/33/14/77/826331477.db2.gz CVPRGNZLJUDEAG-WDNDVIMCSA-N 1 3 335.452 -0.600 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180135554 833044924 /nfs/dbraw/zinc/04/49/24/833044924.db2.gz INDZPQLYEQVFHK-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180123794 833045471 /nfs/dbraw/zinc/04/54/71/833045471.db2.gz BQZKSFHHKXWAML-XQQFMLRXSA-N 1 3 339.440 -0.637 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180123794 833045477 /nfs/dbraw/zinc/04/54/77/833045477.db2.gz BQZKSFHHKXWAML-XQQFMLRXSA-N 1 3 339.440 -0.637 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124999 833045724 /nfs/dbraw/zinc/04/57/24/833045724.db2.gz YMZZAHKEUFTLGW-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124999 833045736 /nfs/dbraw/zinc/04/57/36/833045736.db2.gz YMZZAHKEUFTLGW-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001118276967 826895297 /nfs/dbraw/zinc/89/52/97/826895297.db2.gz DADYTZKTGYQGAW-AWEZNQCLSA-N 1 3 328.457 -0.343 20 0 EBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001180896295 833120499 /nfs/dbraw/zinc/12/04/99/833120499.db2.gz ZFAXQDPSSPNEMF-GFCCVEGCSA-N 1 3 327.429 -0.455 20 0 EBADHO CN(CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CC1 ZINC001119354727 827100818 /nfs/dbraw/zinc/10/08/18/827100818.db2.gz LRFLBLKAZAKKLA-KOLCDFICSA-N 1 3 336.358 -0.208 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)CC1 ZINC001119362814 827102983 /nfs/dbraw/zinc/10/29/83/827102983.db2.gz PMQXFGHSAPQDIV-UHFFFAOYSA-N 1 3 337.468 -0.907 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119420597 827106989 /nfs/dbraw/zinc/10/69/89/827106989.db2.gz IKLOSEMJDQJAIX-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)N2CCNCC[NH2+]CC2)C[C@@H](C)O1 ZINC001120567179 827246087 /nfs/dbraw/zinc/24/60/87/827246087.db2.gz WZQJYDFYBRYFQH-HUUCEWRRSA-N 1 3 327.473 -0.310 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652096 833170594 /nfs/dbraw/zinc/17/05/94/833170594.db2.gz ISQMFSITIUSEDZ-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473527 833236189 /nfs/dbraw/zinc/23/61/89/833236189.db2.gz SWDCCLBXSKEXEW-CHWSQXEVSA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473527 833236193 /nfs/dbraw/zinc/23/61/93/833236193.db2.gz SWDCCLBXSKEXEW-CHWSQXEVSA-N 1 3 339.440 -0.495 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866925 827969524 /nfs/dbraw/zinc/96/95/24/827969524.db2.gz NXBIYPLRJRPCDL-RYUDHWBXSA-N 1 3 327.429 -0.591 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001183040372 833277877 /nfs/dbraw/zinc/27/78/77/833277877.db2.gz QXICXKLGHRWMIC-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001183040372 833277879 /nfs/dbraw/zinc/27/78/79/833277879.db2.gz QXICXKLGHRWMIC-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001183240541 833284721 /nfs/dbraw/zinc/28/47/21/833284721.db2.gz JZSMGMOOSWCHQV-GHMZBOCLSA-N 1 3 325.413 -0.755 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267225 833285085 /nfs/dbraw/zinc/28/50/85/833285085.db2.gz JMBSPHULGWWIIB-ZBFHGGJFSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183256569 833285159 /nfs/dbraw/zinc/28/51/59/833285159.db2.gz ZQAJGSPTRKBQDV-CHWSQXEVSA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183256569 833285161 /nfs/dbraw/zinc/28/51/61/833285161.db2.gz ZQAJGSPTRKBQDV-CHWSQXEVSA-N 1 3 339.440 -0.365 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001183288482 833285689 /nfs/dbraw/zinc/28/56/89/833285689.db2.gz JWEGKPFYJOJPKJ-GFCCVEGCSA-N 1 3 332.470 -0.790 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289447 833285984 /nfs/dbraw/zinc/28/59/84/833285984.db2.gz YFNYRPPKSYOXFH-LLVKDONJSA-N 1 3 325.413 -0.883 20 0 EBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001183450330 833291090 /nfs/dbraw/zinc/29/10/90/833291090.db2.gz PIRKSRGHICETDB-UTUOFQBUSA-N 1 3 327.429 -0.654 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183648807 833298458 /nfs/dbraw/zinc/29/84/58/833298458.db2.gz ZNHBBIAWIVEWPE-VXGBXAGGSA-N 1 3 325.413 -0.883 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001183581473 833296021 /nfs/dbraw/zinc/29/60/21/833296021.db2.gz KHDCAOGZBXAIQN-CHWSQXEVSA-N 1 3 339.440 -0.541 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255355 828268625 /nfs/dbraw/zinc/26/86/25/828268625.db2.gz IVQQPJUGBJRRAM-LSDHHAIUSA-N 1 3 338.452 -0.575 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCOCC1 ZINC001127255355 828268632 /nfs/dbraw/zinc/26/86/32/828268632.db2.gz IVQQPJUGBJRRAM-LSDHHAIUSA-N 1 3 338.452 -0.575 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254581 828268821 /nfs/dbraw/zinc/26/88/21/828268821.db2.gz GBJBIQSRJGXIDH-QWHCGFSZSA-N 1 3 332.470 -0.884 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254581 828268826 /nfs/dbraw/zinc/26/88/26/828268826.db2.gz GBJBIQSRJGXIDH-QWHCGFSZSA-N 1 3 332.470 -0.884 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475294 828297285 /nfs/dbraw/zinc/29/72/85/828297285.db2.gz SQBYWUMTNMZHHQ-DGCLKSJQSA-N 1 3 339.440 -0.732 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475805 828297721 /nfs/dbraw/zinc/29/77/21/828297721.db2.gz ZSSATYXMQJFMLA-CQSZACIVSA-N 1 3 326.441 -0.813 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCOC1 ZINC001127481182 828297771 /nfs/dbraw/zinc/29/77/71/828297771.db2.gz QOLDNERUQJECEK-ZFWWWQNUSA-N 1 3 338.452 -0.813 20 0 EBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575746 828303918 /nfs/dbraw/zinc/30/39/18/828303918.db2.gz AMOXOXYNWYOYMP-CYBMUJFWSA-N 1 3 338.456 -0.321 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCCCOC)CC[N@@H+]1C ZINC001127705798 828316177 /nfs/dbraw/zinc/31/61/77/828316177.db2.gz GLRZBILYRNTNNL-SOUVJXGZSA-N 1 3 342.484 -0.036 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCCCOC)CC[N@H+]1C ZINC001127705798 828316187 /nfs/dbraw/zinc/31/61/87/828316187.db2.gz GLRZBILYRNTNNL-SOUVJXGZSA-N 1 3 342.484 -0.036 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760974 828321219 /nfs/dbraw/zinc/32/12/19/828321219.db2.gz WTOFGYIARNDCJY-GJZGRUSLSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760974 828321226 /nfs/dbraw/zinc/32/12/26/828321226.db2.gz WTOFGYIARNDCJY-GJZGRUSLSA-N 1 3 340.468 -0.140 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC001127778852 828329008 /nfs/dbraw/zinc/32/90/08/828329008.db2.gz GYFOAGRUXVURMZ-GJZGRUSLSA-N 1 3 338.452 -0.386 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC001127778852 828329020 /nfs/dbraw/zinc/32/90/20/828329020.db2.gz GYFOAGRUXVURMZ-GJZGRUSLSA-N 1 3 338.452 -0.386 20 0 EBADHO CN(CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O)c1cc[nH+]cc1 ZINC001130559015 828884576 /nfs/dbraw/zinc/88/45/76/828884576.db2.gz ZLVICHXROAVULA-CYBMUJFWSA-N 1 3 333.392 -0.581 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876795 833342472 /nfs/dbraw/zinc/34/24/72/833342472.db2.gz MYPHXFFPJRUMKH-IJLUTSLNSA-N 1 3 325.413 -0.885 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249152 833351583 /nfs/dbraw/zinc/35/15/83/833351583.db2.gz QHOIULRYDFJLDC-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185264241 833353195 /nfs/dbraw/zinc/35/31/95/833353195.db2.gz CXOWWGKHRRRBGQ-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CN(CCN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC001185385795 833357217 /nfs/dbraw/zinc/35/72/17/833357217.db2.gz UTDFRSUDKSVJMG-CQSZACIVSA-N 1 3 346.497 -0.590 20 0 EBADHO CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401172 833357894 /nfs/dbraw/zinc/35/78/94/833357894.db2.gz LPGXCGRRPRFTSL-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651102 833364824 /nfs/dbraw/zinc/36/48/24/833364824.db2.gz RUXHECAJPBTIDK-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185651102 833364826 /nfs/dbraw/zinc/36/48/26/833364826.db2.gz RUXHECAJPBTIDK-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1)[NH+](CC)CC ZINC001185608962 833363046 /nfs/dbraw/zinc/36/30/46/833363046.db2.gz ACHWEDUXZPONOH-ZIAGYGMSSA-N 1 3 348.513 -0.154 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519658 829150580 /nfs/dbraw/zinc/15/05/80/829150580.db2.gz ISBSOEQHFGWDEG-UUCFBXCCSA-N 1 3 338.452 -0.576 20 0 EBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519658 829150581 /nfs/dbraw/zinc/15/05/81/829150581.db2.gz ISBSOEQHFGWDEG-UUCFBXCCSA-N 1 3 338.452 -0.576 20 0 EBADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131520015 829152068 /nfs/dbraw/zinc/15/20/68/829152068.db2.gz QUVPWYFLDLEZRC-GULBITTBSA-N 1 3 331.420 -0.146 20 0 EBADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)cn1 ZINC001131520015 829152076 /nfs/dbraw/zinc/15/20/76/829152076.db2.gz QUVPWYFLDLEZRC-GULBITTBSA-N 1 3 331.420 -0.146 20 0 EBADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)n1 ZINC001131520111 829152696 /nfs/dbraw/zinc/15/26/96/829152696.db2.gz UREGTFTWZPNBCW-ISXOHVOVSA-N 1 3 348.451 -0.536 20 0 EBADHO Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520024 829153186 /nfs/dbraw/zinc/15/31/86/829153186.db2.gz RHIWLMOJQQGJOR-GULBITTBSA-N 1 3 333.436 -0.468 20 0 EBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185742065 833368948 /nfs/dbraw/zinc/36/89/48/833368948.db2.gz FFGPSDUAKRYKDF-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)NC(N)=O ZINC001131799080 829223694 /nfs/dbraw/zinc/22/36/94/829223694.db2.gz HBBDACJHPJZBDX-LBPRGKRZSA-N 1 3 341.456 -0.212 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001186497002 833403566 /nfs/dbraw/zinc/40/35/66/833403566.db2.gz WDOGCDKLURNKSG-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615699 833409067 /nfs/dbraw/zinc/40/90/67/833409067.db2.gz IEOPSTABJUTLHI-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186622819 833409658 /nfs/dbraw/zinc/40/96/58/833409658.db2.gz RWYSAKRCLXXTCT-QWHCGFSZSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001186622827 833410072 /nfs/dbraw/zinc/41/00/72/833410072.db2.gz SDSXFNODMVIOIS-ZIAGYGMSSA-N 1 3 340.468 -0.236 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001132742742 829513487 /nfs/dbraw/zinc/51/34/87/829513487.db2.gz FUIJEGMJMXKZKN-NWDGAFQWSA-N 1 3 327.429 -0.602 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001132742742 829513495 /nfs/dbraw/zinc/51/34/95/829513495.db2.gz FUIJEGMJMXKZKN-NWDGAFQWSA-N 1 3 327.429 -0.602 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132997168 829568833 /nfs/dbraw/zinc/56/88/33/829568833.db2.gz DKJQRBCTNMHSKC-UHFFFAOYSA-N 1 3 341.456 -0.340 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001132995274 829569012 /nfs/dbraw/zinc/56/90/12/829569012.db2.gz PZRRYCIWHBLSMB-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NCc2cccnc2)CC1 ZINC001132993456 829569243 /nfs/dbraw/zinc/56/92/43/829569243.db2.gz VEWJQYYFPSWVBV-UHFFFAOYSA-N 1 3 333.436 -0.255 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285952 829614905 /nfs/dbraw/zinc/61/49/05/829614905.db2.gz PNIXGDSDPMTVHW-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275693 829615033 /nfs/dbraw/zinc/61/50/33/829615033.db2.gz WGKOUHCISOPLNX-OLZOCXBDSA-N 1 3 341.456 -0.403 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)Nc1ccccc1 ZINC001133298213 829617768 /nfs/dbraw/zinc/61/77/68/829617768.db2.gz ZSJOHJPCWUKFKS-UHFFFAOYSA-N 1 3 335.408 -0.008 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001133294540 829617938 /nfs/dbraw/zinc/61/79/38/829617938.db2.gz MMGLBKQJHGDVIH-OAHLLOKOSA-N 1 3 348.447 -0.236 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186825082 833431796 /nfs/dbraw/zinc/43/17/96/833431796.db2.gz YNLYKFFOLGHAQO-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186825082 833431802 /nfs/dbraw/zinc/43/18/02/833431802.db2.gz YNLYKFFOLGHAQO-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434498 829631033 /nfs/dbraw/zinc/63/10/33/829631033.db2.gz USCNROWSEYXPJM-CQSZACIVSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[C@H](C(=O)NCCNCC(=O)NC[C@H]1CCOC1)[NH+](CC)CC ZINC001133689690 829661882 /nfs/dbraw/zinc/66/18/82/829661882.db2.gz BGXDQJLRRXWAKM-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001133823883 829679845 /nfs/dbraw/zinc/67/98/45/829679845.db2.gz ROCXTBNKFCTBLX-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001133823883 829679850 /nfs/dbraw/zinc/67/98/50/829679850.db2.gz ROCXTBNKFCTBLX-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133833596 829681133 /nfs/dbraw/zinc/68/11/33/829681133.db2.gz AGQJVPXZOPXALM-CQSZACIVSA-N 1 3 333.436 -0.112 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133833596 829681134 /nfs/dbraw/zinc/68/11/34/829681134.db2.gz AGQJVPXZOPXALM-CQSZACIVSA-N 1 3 333.436 -0.112 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133845419 829685361 /nfs/dbraw/zinc/68/53/61/829685361.db2.gz FJWGYTVGKNGENZ-ZIAGYGMSSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001133845525 829685586 /nfs/dbraw/zinc/68/55/86/829685586.db2.gz IAKOBJAKCREVQX-ZIAGYGMSSA-N 1 3 331.482 -0.141 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133851056 829687074 /nfs/dbraw/zinc/68/70/74/829687074.db2.gz VYOUUTBYIJJGEE-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133851056 829687078 /nfs/dbraw/zinc/68/70/78/829687078.db2.gz VYOUUTBYIJJGEE-CABCVRRESA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H](NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856807 829688360 /nfs/dbraw/zinc/68/83/60/829688360.db2.gz RQLXPUVXNYKVNB-BMIGLBTASA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@@H](NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856807 829688365 /nfs/dbraw/zinc/68/83/65/829688365.db2.gz RQLXPUVXNYKVNB-BMIGLBTASA-N 1 3 345.419 -0.512 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869127 829690700 /nfs/dbraw/zinc/69/07/00/829690700.db2.gz BIDPNCPPBUNWAF-RYUDHWBXSA-N 1 3 327.429 -0.874 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869127 829690705 /nfs/dbraw/zinc/69/07/05/829690705.db2.gz BIDPNCPPBUNWAF-RYUDHWBXSA-N 1 3 327.429 -0.874 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cc1 ZINC001133893557 829695084 /nfs/dbraw/zinc/69/50/84/829695084.db2.gz KNHPBOIOJKHNGS-HNNXBMFYSA-N 1 3 346.431 -0.085 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896278 829695243 /nfs/dbraw/zinc/69/52/43/829695243.db2.gz GOLFWMJNPGUEBU-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001134020433 829713455 /nfs/dbraw/zinc/71/34/55/829713455.db2.gz AQBJPMRNCKWMHO-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[N@@H+]1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126566 829729589 /nfs/dbraw/zinc/72/95/89/829729589.db2.gz XWFUCFSJPGLJEK-PMPSAXMXSA-N 1 3 330.432 -0.074 20 0 EBADHO C[N@H+]1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126566 829729593 /nfs/dbraw/zinc/72/95/93/829729593.db2.gz XWFUCFSJPGLJEK-PMPSAXMXSA-N 1 3 330.432 -0.074 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134767227 829842115 /nfs/dbraw/zinc/84/21/15/829842115.db2.gz TTZOHPRQENOKHR-CQSZACIVSA-N 1 3 348.513 -0.106 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134767227 829842125 /nfs/dbraw/zinc/84/21/25/829842125.db2.gz TTZOHPRQENOKHR-CQSZACIVSA-N 1 3 348.513 -0.106 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)CC1 ZINC001134780611 829844819 /nfs/dbraw/zinc/84/48/19/829844819.db2.gz ODINHBGBKOIHBU-HNNXBMFYSA-N 1 3 340.468 -0.281 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)NCCNCC(=O)NC(C)(C)C)cn1 ZINC001135114819 829900092 /nfs/dbraw/zinc/90/00/92/829900092.db2.gz OZVGKZDSOLEIDF-UHFFFAOYSA-N 1 3 338.456 -0.321 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135340616 829949337 /nfs/dbraw/zinc/94/93/37/829949337.db2.gz FHVATDUOHMEKGS-UHFFFAOYSA-N 1 3 349.435 -0.087 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)N1CCOCC1)C(C)C ZINC001135477347 829973982 /nfs/dbraw/zinc/97/39/82/829973982.db2.gz DDWHAANJVHCXRZ-MRXNPFEDSA-N 1 3 342.484 -0.083 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001135511566 829978884 /nfs/dbraw/zinc/97/88/84/829978884.db2.gz SXHPDAPURZXDMB-NSHDSACASA-N 1 3 329.363 -0.026 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001135513713 829980051 /nfs/dbraw/zinc/98/00/51/829980051.db2.gz VNPUDUPQLGNPPD-LSDHHAIUSA-N 1 3 331.457 -0.410 20 0 EBADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706237 830013123 /nfs/dbraw/zinc/01/31/23/830013123.db2.gz QOTYERZWAKKGMN-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959017 830052449 /nfs/dbraw/zinc/05/24/49/830052449.db2.gz IZRRISYORGXSGB-CYBMUJFWSA-N 1 3 328.457 -0.282 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979940 830056037 /nfs/dbraw/zinc/05/60/37/830056037.db2.gz KHXAFDRFKIFOSX-RYUDHWBXSA-N 1 3 329.445 -0.343 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001211285690 837421341 /nfs/dbraw/zinc/42/13/41/837421341.db2.gz QZKAISWCJRGHKS-CYBMUJFWSA-N 1 3 334.486 -0.544 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725094 830401094 /nfs/dbraw/zinc/40/10/94/830401094.db2.gz SEZOVFBJCHHYEZ-GJZGRUSLSA-N 1 3 325.453 -0.132 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725094 830401099 /nfs/dbraw/zinc/40/10/99/830401099.db2.gz SEZOVFBJCHHYEZ-GJZGRUSLSA-N 1 3 325.453 -0.132 20 0 EBADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001147834444 830417459 /nfs/dbraw/zinc/41/74/59/830417459.db2.gz JFFWFRDGHZRFBM-OLZOCXBDSA-N 1 3 334.486 -0.638 20 0 EBADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001147834446 830417918 /nfs/dbraw/zinc/41/79/18/830417918.db2.gz JFFWFRDGHZRFBM-STQMWFEESA-N 1 3 334.486 -0.638 20 0 EBADHO CC(C)N(C(=O)CNCCNC(=O)COCC[NH+](C)C)C(C)C ZINC001147848986 830421142 /nfs/dbraw/zinc/42/11/42/830421142.db2.gz ZXIONNBRPYVTFU-UHFFFAOYSA-N 1 3 330.473 -0.084 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001147885329 830426469 /nfs/dbraw/zinc/42/64/69/830426469.db2.gz LZLUTBJJGLLLSV-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001147885329 830426473 /nfs/dbraw/zinc/42/64/73/830426473.db2.gz LZLUTBJJGLLLSV-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001148578505 830511921 /nfs/dbraw/zinc/51/19/21/830511921.db2.gz VOLOVYSGCGEOOO-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001148578505 830511926 /nfs/dbraw/zinc/51/19/26/830511926.db2.gz VOLOVYSGCGEOOO-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001148655176 830525210 /nfs/dbraw/zinc/52/52/10/830525210.db2.gz JMTMNSHARBDHAQ-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001148654869 830525342 /nfs/dbraw/zinc/52/53/42/830525342.db2.gz CQQNKTRBZHFANK-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001149123145 830593225 /nfs/dbraw/zinc/59/32/25/830593225.db2.gz GFDYNCKOFSTHHO-UHFFFAOYSA-N 1 3 328.438 -0.209 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001149124592 830595188 /nfs/dbraw/zinc/59/51/88/830595188.db2.gz WBJHUZUYIQWEBE-GFCCVEGCSA-N 1 3 343.453 -0.752 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855231 830765605 /nfs/dbraw/zinc/76/56/05/830765605.db2.gz WSIKYHSUOAERFS-HOTGVXAUSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855231 830765612 /nfs/dbraw/zinc/76/56/12/830765612.db2.gz WSIKYHSUOAERFS-HOTGVXAUSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193048 830834892 /nfs/dbraw/zinc/83/48/92/830834892.db2.gz LIVIPFRKVWDSSV-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291865 830858580 /nfs/dbraw/zinc/85/85/80/830858580.db2.gz PILSDJJARFWVTQ-ARFHVFGLSA-N 1 3 345.484 -0.213 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@H]2CN(CCCO)CCCO2)CC1 ZINC001150508517 830919021 /nfs/dbraw/zinc/91/90/21/830919021.db2.gz VGCPOINQFMJJOC-INIZCTEOSA-N 1 3 343.468 -0.313 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064393 831018373 /nfs/dbraw/zinc/01/83/73/831018373.db2.gz BFJWGJJMPWMGOM-GHMZBOCLSA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064393 831018381 /nfs/dbraw/zinc/01/83/81/831018381.db2.gz BFJWGJJMPWMGOM-GHMZBOCLSA-N 1 3 336.358 -0.193 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001151058114 831018790 /nfs/dbraw/zinc/01/87/90/831018790.db2.gz WOQVJLAJRNTQNF-CABCVRRESA-N 1 3 338.452 -0.719 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001151058114 831018799 /nfs/dbraw/zinc/01/87/99/831018799.db2.gz WOQVJLAJRNTQNF-CABCVRRESA-N 1 3 338.452 -0.719 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066354 831019289 /nfs/dbraw/zinc/01/92/89/831019289.db2.gz TWXMXHILKJHUCD-CQSZACIVSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066354 831019297 /nfs/dbraw/zinc/01/92/97/831019297.db2.gz TWXMXHILKJHUCD-CQSZACIVSA-N 1 3 328.457 -0.425 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001151066442 831021135 /nfs/dbraw/zinc/02/11/35/831021135.db2.gz UYYRKGPOSFZZDI-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)C1 ZINC001151066442 831021145 /nfs/dbraw/zinc/02/11/45/831021145.db2.gz UYYRKGPOSFZZDI-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC1CCOCC1 ZINC001152224311 831143210 /nfs/dbraw/zinc/14/32/10/831143210.db2.gz UVTUOAQDSXTJJR-UHFFFAOYSA-N 1 3 340.468 -0.137 20 0 EBADHO C[C@@H](NCCNC(=O)c1ccccc1C[NH+](C)C)C(=O)NC(N)=O ZINC001152383871 831156393 /nfs/dbraw/zinc/15/63/93/831156393.db2.gz KUNPTUGMBQUWKA-LLVKDONJSA-N 1 3 335.408 -0.349 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393595 831158822 /nfs/dbraw/zinc/15/88/22/831158822.db2.gz QQNBSKLSXBURGA-UHFFFAOYSA-N 1 3 335.408 -0.477 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001152457683 831164214 /nfs/dbraw/zinc/16/42/14/831164214.db2.gz HBBAHAITZCXXBF-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155810971 831432167 /nfs/dbraw/zinc/43/21/67/831432167.db2.gz DLFGURPSBQWTQT-ZDUSSCGKSA-N 1 3 341.456 -0.342 20 0 EBADHO CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409531 831473429 /nfs/dbraw/zinc/47/34/29/831473429.db2.gz QEJSXYNCZPNJEZ-CQSZACIVSA-N 1 3 337.468 -0.066 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157368445 831560518 /nfs/dbraw/zinc/56/05/18/831560518.db2.gz HEIJJQBRZQCXEX-OLZOCXBDSA-N 1 3 342.440 -0.497 20 0 EBADHO N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369782 831561393 /nfs/dbraw/zinc/56/13/93/831561393.db2.gz WNXJJPSKLZWBJW-KBPBESRZSA-N 1 3 336.440 -0.484 20 0 EBADHO CN(C[C@H]1CNCCO1)C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001157720102 831588285 /nfs/dbraw/zinc/58/82/85/831588285.db2.gz AINFVJSFTCTXRM-LLVKDONJSA-N 1 3 325.438 -0.387 20 0 EBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001157843470 831597536 /nfs/dbraw/zinc/59/75/36/831597536.db2.gz RFDVYUVPVHJCDC-MCIONIFRSA-N 1 3 348.451 -0.100 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157981690 831615886 /nfs/dbraw/zinc/61/58/86/831615886.db2.gz GVZDFMVNQQPYOF-QMMMGPOBSA-N 1 3 328.360 -0.761 20 0 EBADHO C[C@H]([NH2+]CCCNC(=O)C(C)(C)N1CCCCC1)C(=O)NC(N)=O ZINC001158080145 831626327 /nfs/dbraw/zinc/62/63/27/831626327.db2.gz ZCBYYPZOXXIGFB-LBPRGKRZSA-N 1 3 341.456 -0.070 20 0 EBADHO O=C(c1csc([C@H]2CCCN2)n1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102515 831628254 /nfs/dbraw/zinc/62/82/54/831628254.db2.gz SYPZXRLZRIFCEH-BMIGLBTASA-N 1 3 335.433 -0.128 20 0 EBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001158414629 831652777 /nfs/dbraw/zinc/65/27/77/831652777.db2.gz GXVNCLYGUSUCFY-JKIFEVAISA-N 1 3 339.436 -0.116 20 0 EBADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001158430188 831654310 /nfs/dbraw/zinc/65/43/10/831654310.db2.gz DVRYTMYTYBYFGO-GFCCVEGCSA-N 1 3 336.396 -0.876 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158508861 831662207 /nfs/dbraw/zinc/66/22/07/831662207.db2.gz XFCXIHZMTQSIOK-HUUCEWRRSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158508861 831662214 /nfs/dbraw/zinc/66/22/14/831662214.db2.gz XFCXIHZMTQSIOK-HUUCEWRRSA-N 1 3 349.435 -0.056 20 0 EBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001158791666 831686585 /nfs/dbraw/zinc/68/65/85/831686585.db2.gz ZGWRBBBDHNBDMO-RYUDHWBXSA-N 1 3 334.424 -0.821 20 0 EBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001158790368 831686758 /nfs/dbraw/zinc/68/67/58/831686758.db2.gz LLEMJNYIVHYKQQ-GXTWGEPZSA-N 1 3 336.440 -0.303 20 0 EBADHO COC[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])Cc2cn(C)nc21 ZINC001159019417 831703907 /nfs/dbraw/zinc/70/39/07/831703907.db2.gz PRIFGRTWTLNQAV-NEPJUHHUSA-N 1 3 327.454 -0.489 20 0 EBADHO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]21 ZINC001159045437 831705238 /nfs/dbraw/zinc/70/52/38/831705238.db2.gz AHARIUOZMPJSKV-YIYPIFLZSA-N 1 3 326.441 -0.606 20 0 EBADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]21 ZINC001159108373 831709309 /nfs/dbraw/zinc/70/93/09/831709309.db2.gz ACVHQEKHQYPMIB-BARDWOONSA-N 1 3 338.452 -0.687 20 0 EBADHO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]32)nn1 ZINC001159296518 831736274 /nfs/dbraw/zinc/73/62/74/831736274.db2.gz AWMLEOHBKUXKAO-ZNMIVQPWSA-N 1 3 348.451 -0.343 20 0 EBADHO [NH3+]CCNCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666010 831770615 /nfs/dbraw/zinc/77/06/15/831770615.db2.gz NSSBHOOSALJPKJ-CVEARBPZSA-N 1 3 333.436 -0.568 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)CCC1 ZINC001159854211 831788410 /nfs/dbraw/zinc/78/84/10/831788410.db2.gz MMQHLYWGUVALQK-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001159860747 831789155 /nfs/dbraw/zinc/78/91/55/831789155.db2.gz DQGQNCJSSKUAKE-UHFFFAOYSA-N 1 3 325.413 -0.882 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914644 831797224 /nfs/dbraw/zinc/79/72/24/831797224.db2.gz FHEZYOYDYXFOAU-AAEUAGOBSA-N 1 3 341.456 -0.343 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CCC1 ZINC001159997602 831804942 /nfs/dbraw/zinc/80/49/42/831804942.db2.gz TWYGSOKFDRWQRU-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO Cc1ccc(N(C(=O)[C@@H](N)CN)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049499 831810083 /nfs/dbraw/zinc/81/00/83/831810083.db2.gz AABDRVDDSIJREP-WWGRRREGSA-N 1 3 334.424 -0.685 20 0 EBADHO Cc1ccc(N(C(=O)[C@@H](N)CN)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049497 831810254 /nfs/dbraw/zinc/81/02/54/831810254.db2.gz AABDRVDDSIJREP-DVOMOZLQSA-N 1 3 334.424 -0.685 20 0 EBADHO O=C([C@H]1C[C@@H](O)CN1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585991 831867015 /nfs/dbraw/zinc/86/70/15/831867015.db2.gz UYUIMYWAKGSLEC-DGCLKSJQSA-N 1 3 330.388 -0.435 20 0 EBADHO CN(CC1COC1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160646091 831875355 /nfs/dbraw/zinc/87/53/55/831875355.db2.gz VOAWICZDCVTRLJ-KBPBESRZSA-N 1 3 326.441 -0.462 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160839547 831893733 /nfs/dbraw/zinc/89/37/33/831893733.db2.gz QJPFJCDZNOZBEP-AWEZNQCLSA-N 1 3 347.467 -0.208 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001499 831913396 /nfs/dbraw/zinc/91/33/96/831913396.db2.gz YQAVYMPIXZWXFE-MELADBBJSA-N 1 3 340.468 -0.420 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)ncn1 ZINC001161093102 831923329 /nfs/dbraw/zinc/92/33/29/831923329.db2.gz IDQUMCTXCGNVQQ-CXAGYDPISA-N 1 3 346.435 -0.667 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271185 831944127 /nfs/dbraw/zinc/94/41/27/831944127.db2.gz WWKNYECJKCSZGF-LSDHHAIUSA-N 1 3 348.451 -0.062 20 0 EBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872511 832068287 /nfs/dbraw/zinc/06/82/87/832068287.db2.gz UWTVOIQXSZBDHF-GULBITTBSA-N 1 3 333.436 -0.121 20 0 EBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001162872511 832068291 /nfs/dbraw/zinc/06/82/91/832068291.db2.gz UWTVOIQXSZBDHF-GULBITTBSA-N 1 3 333.436 -0.121 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001164539147 832195555 /nfs/dbraw/zinc/19/55/55/832195555.db2.gz TWZVSRULBCABNF-CHWSQXEVSA-N 1 3 339.444 -0.524 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004344 832245868 /nfs/dbraw/zinc/24/58/68/832245868.db2.gz MMWDFYGKDQKPBD-OAHLLOKOSA-N 1 3 330.473 -0.179 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166626417 832275410 /nfs/dbraw/zinc/27/54/10/832275410.db2.gz GDTFIMVGUUPSSA-ZDUSSCGKSA-N 1 3 339.440 -0.492 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166676634 832278748 /nfs/dbraw/zinc/27/87/48/832278748.db2.gz ABRHYBNEVONZDB-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001166677228 832279032 /nfs/dbraw/zinc/27/90/32/832279032.db2.gz HNLVNMIRHXUWGR-CQSZACIVSA-N 1 3 346.497 -0.540 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001166678451 832280193 /nfs/dbraw/zinc/28/01/93/832280193.db2.gz VNEXXKMJSOOCNT-AWEZNQCLSA-N 1 3 348.513 -0.294 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678147 832280327 /nfs/dbraw/zinc/28/03/27/832280327.db2.gz TZXWGOUIBXJUHA-RYUDHWBXSA-N 1 3 327.429 -0.732 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708614 832282723 /nfs/dbraw/zinc/28/27/23/832282723.db2.gz UUTWQCJZHMWSNU-OLZOCXBDSA-N 1 3 334.424 -0.291 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001166708614 832282728 /nfs/dbraw/zinc/28/27/28/832282728.db2.gz UUTWQCJZHMWSNU-OLZOCXBDSA-N 1 3 334.424 -0.291 20 0 EBADHO CN(CC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1)S(C)(=O)=O ZINC001166765167 832286514 /nfs/dbraw/zinc/28/65/14/832286514.db2.gz VJINUVFZPRTYFZ-UHFFFAOYSA-N 1 3 348.513 -0.294 20 0 EBADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001166744445 832286942 /nfs/dbraw/zinc/28/69/42/832286942.db2.gz XJWKWZSLIWTIJB-GFCCVEGCSA-N 1 3 326.441 -0.135 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)N(C)C ZINC001166851456 832294132 /nfs/dbraw/zinc/29/41/32/832294132.db2.gz AVRBFXPPESBMGK-OLZOCXBDSA-N 1 3 343.472 -0.985 20 0 EBADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001167045349 832307718 /nfs/dbraw/zinc/30/77/18/832307718.db2.gz SQRQCZUAGCBAPK-CYBMUJFWSA-N 1 3 341.456 -0.356 20 0 EBADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001168345556 832415832 /nfs/dbraw/zinc/41/58/32/832415832.db2.gz QIJXIIORIYONJD-UHFFFAOYSA-N 1 3 348.513 -0.248 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001168763158 832434377 /nfs/dbraw/zinc/43/43/77/832434377.db2.gz KZLQKHGUUMWDSK-HNNXBMFYSA-N 1 3 345.484 -0.019 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001168763936 832435362 /nfs/dbraw/zinc/43/53/62/832435362.db2.gz VGNNWEDQBXTSBC-UHFFFAOYSA-N 1 3 339.440 -0.978 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001171762767 832574979 /nfs/dbraw/zinc/57/49/79/832574979.db2.gz KHMVFPBTHSZQOF-UHFFFAOYSA-N 1 3 327.429 -0.634 20 0 EBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174681894 832594275 /nfs/dbraw/zinc/59/42/75/832594275.db2.gz CDCMPTLVSCWOPQ-TZMCWYRMSA-N 1 3 342.440 -0.231 20 0 EBADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001176889872 832701316 /nfs/dbraw/zinc/70/13/16/832701316.db2.gz GZXLVOMPFIWKBW-UHFFFAOYSA-N 1 3 335.408 -0.347 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001176986281 832726188 /nfs/dbraw/zinc/72/61/88/832726188.db2.gz 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836023418 /nfs/dbraw/zinc/02/34/18/836023418.db2.gz FCNWNQCRVHBJSZ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCCO1 ZINC001200736954 836027362 /nfs/dbraw/zinc/02/73/62/836027362.db2.gz HUDUTJNEJOYDBE-OAGGEKHMSA-N 1 3 345.484 -0.213 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001200738923 836028373 /nfs/dbraw/zinc/02/83/73/836028373.db2.gz ZRZFFRUPWJWAIX-CVEARBPZSA-N 1 3 345.484 -0.211 20 0 EBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200795418 836034804 /nfs/dbraw/zinc/03/48/04/836034804.db2.gz JLWZJGIIRMFOLZ-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO NC(=O)CNC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200795169 836036398 /nfs/dbraw/zinc/03/63/98/836036398.db2.gz HGDUSYCCMYMYFY-AWEZNQCLSA-N 1 3 338.452 -0.445 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001200852363 836048017 /nfs/dbraw/zinc/04/80/17/836048017.db2.gz ZFIMPGXODGZDCM-QWHCGFSZSA-N 1 3 328.457 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20 0 EBADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336709 836131355 /nfs/dbraw/zinc/13/13/55/836131355.db2.gz YCLULNNQHLKXTQ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCCO1 ZINC001201343522 836132042 /nfs/dbraw/zinc/13/20/42/836132042.db2.gz HUDUTJNEJOYDBE-BZUAXINKSA-N 1 3 345.484 -0.213 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC2CC2)C1 ZINC001201800015 836193541 /nfs/dbraw/zinc/19/35/41/836193541.db2.gz AHMYIDRPZIUMNM-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC2CC2)C1 ZINC001201800015 836193546 /nfs/dbraw/zinc/19/35/46/836193546.db2.gz AHMYIDRPZIUMNM-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)N(C)C)C1 ZINC001201800147 836193667 /nfs/dbraw/zinc/19/36/67/836193667.db2.gz DVYXKGIKTYTLKX-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)N(C)C)C1 ZINC001201800147 836193668 /nfs/dbraw/zinc/19/36/68/836193668.db2.gz DVYXKGIKTYTLKX-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CC[C@H](NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1)C(N)=O ZINC001201809221 836195801 /nfs/dbraw/zinc/19/58/01/836195801.db2.gz LAKGUHNQAQPOCC-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[C@H](NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1)C(N)=O ZINC001201809221 836195804 /nfs/dbraw/zinc/19/58/04/836195804.db2.gz LAKGUHNQAQPOCC-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201811091 836196477 /nfs/dbraw/zinc/19/64/77/836196477.db2.gz VOUXCSCGGYQMRR-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201811091 836196481 /nfs/dbraw/zinc/19/64/81/836196481.db2.gz VOUXCSCGGYQMRR-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[C@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871304 836209200 /nfs/dbraw/zinc/20/92/00/836209200.db2.gz IOFCUVWTEKLKKR-KBPBESRZSA-N 1 3 338.452 -0.447 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201931453 836218545 /nfs/dbraw/zinc/21/85/45/836218545.db2.gz KBGFLGYHXNITJQ-OAHLLOKOSA-N 1 3 331.457 -0.456 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059887 836245406 /nfs/dbraw/zinc/24/54/06/836245406.db2.gz SJGKJNLLERYRNQ-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059887 836245419 /nfs/dbraw/zinc/24/54/19/836245419.db2.gz SJGKJNLLERYRNQ-GJZGRUSLSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001202148260 836262496 /nfs/dbraw/zinc/26/24/96/836262496.db2.gz SRQGCRVFHUKITL-GDBMZVCRSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001202166006 836265951 /nfs/dbraw/zinc/26/59/51/836265951.db2.gz UEOLNFHEFCIXCO-HNNXBMFYSA-N 1 3 331.457 -0.457 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(=O)NC(N)=O ZINC001202496795 836307741 /nfs/dbraw/zinc/30/77/41/836307741.db2.gz YVOKPOKHBIUNOA-NEPJUHHUSA-N 1 3 339.440 -0.365 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NC[C@@H]1CCCO1 ZINC001202669110 836333891 /nfs/dbraw/zinc/33/38/91/836333891.db2.gz XYCCXKMBOHWHCL-HNNXBMFYSA-N 1 3 349.435 -0.172 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203708913 836464491 /nfs/dbraw/zinc/46/44/91/836464491.db2.gz GPXZHUPJOAAGEF-INIZCTEOSA-N 1 3 343.468 -0.313 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714504 836466373 /nfs/dbraw/zinc/46/63/73/836466373.db2.gz MHUHTHAPAPULSC-UHFFFAOYSA-N 1 3 346.497 -0.398 20 0 EBADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001204798945 836530070 /nfs/dbraw/zinc/53/00/70/836530070.db2.gz PERJYUDASWXFHT-WCQYABFASA-N 1 3 339.440 -0.508 20 0 EBADHO CS(=O)(=O)CC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928733 836715879 /nfs/dbraw/zinc/71/58/79/836715879.db2.gz HICODWCCIIQCKY-UHFFFAOYSA-N 1 3 331.482 -0.045 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208073096 836940307 /nfs/dbraw/zinc/94/03/07/836940307.db2.gz BQYWMUVEAVPPIU-RWMBFGLXSA-N 1 3 339.440 -0.508 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001208073096 836940318 /nfs/dbraw/zinc/94/03/18/836940318.db2.gz BQYWMUVEAVPPIU-RWMBFGLXSA-N 1 3 339.440 -0.508 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208261222 836965030 /nfs/dbraw/zinc/96/50/30/836965030.db2.gz LFGPOKYCFLRPJS-RYUDHWBXSA-N 1 3 345.419 -0.558 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208446970 837043378 /nfs/dbraw/zinc/04/33/78/837043378.db2.gz DUCSPBLQSFHIRD-NSHDSACASA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001208446970 837043391 /nfs/dbraw/zinc/04/33/91/837043391.db2.gz DUCSPBLQSFHIRD-NSHDSACASA-N 1 3 327.429 -0.508 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001208453620 837044641 /nfs/dbraw/zinc/04/46/41/837044641.db2.gz LGUIKXUHGSNEKA-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001208453620 837044655 /nfs/dbraw/zinc/04/46/55/837044655.db2.gz LGUIKXUHGSNEKA-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447056 837167649 /nfs/dbraw/zinc/16/76/49/837167649.db2.gz WKWAJYPPIPVVHY-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001209615103 837182153 /nfs/dbraw/zinc/18/21/53/837182153.db2.gz SEFYGRNZWMNXTK-OLZOCXBDSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631569 837183733 /nfs/dbraw/zinc/18/37/33/837183733.db2.gz DYJRWSCDFGMSQG-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001209951851 837220520 /nfs/dbraw/zinc/22/05/20/837220520.db2.gz NWMHJPZLKAQBEZ-CYBMUJFWSA-N 1 3 339.440 -0.506 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210221257 837256184 /nfs/dbraw/zinc/25/61/84/837256184.db2.gz YPODUNPLXVMXRC-CYBMUJFWSA-N 1 3 339.440 -0.539 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCC(=O)N2CCCC2)C1 ZINC001210669613 837315534 /nfs/dbraw/zinc/31/55/34/837315534.db2.gz YZUUKTAJBNCPBZ-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064431 837378332 /nfs/dbraw/zinc/37/83/32/837378332.db2.gz NKBJCPOTVNVRSA-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064431 837378343 /nfs/dbraw/zinc/37/83/43/837378343.db2.gz NKBJCPOTVNVRSA-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001320448695 838771395 /nfs/dbraw/zinc/77/13/95/838771395.db2.gz XBNZUHVQYMYWDH-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCCN1C ZINC001320811055 838841155 /nfs/dbraw/zinc/84/11/55/838841155.db2.gz HWSWAVWCNMTDES-CYBMUJFWSA-N 1 3 334.486 -0.590 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CCCN2CCCC2=O)C1 ZINC001327037177 840281155 /nfs/dbraw/zinc/28/11/55/840281155.db2.gz ZMNUGYXDWLAGPH-HNNXBMFYSA-N 1 3 349.435 -0.218 20 0 EBADHO CN(CCCN(C)[C@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001327258935 840343446 /nfs/dbraw/zinc/34/34/46/840343446.db2.gz WVPDMLBIAAHCGG-AWEZNQCLSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)[C@H]1O ZINC001327291055 840353669 /nfs/dbraw/zinc/35/36/69/840353669.db2.gz QEEDMALMVZFKPL-FICVDOATSA-N 1 3 342.484 -0.587 20 0 EBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001327515248 840441888 /nfs/dbraw/zinc/44/18/88/840441888.db2.gz LCTBNQTYNHOSPT-ZFWWWQNUSA-N 1 3 338.452 -0.386 20 0 EBADHO [NH3+]CCCCCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327846331 840533366 /nfs/dbraw/zinc/53/33/66/840533366.db2.gz IHOQYBKXPJMNLP-HNNXBMFYSA-N 1 3 340.468 -0.009 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001328965620 840800859 /nfs/dbraw/zinc/80/08/59/840800859.db2.gz MDFDLTBAAYNRSI-ZDUSSCGKSA-N 1 3 325.417 -0.681 20 0 EBADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329057209 840828464 /nfs/dbraw/zinc/82/84/64/840828464.db2.gz POFDDDKUHAJUQL-RYUDHWBXSA-N 1 3 339.440 -0.495 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC001330209092 841144574 /nfs/dbraw/zinc/14/45/74/841144574.db2.gz NOSGKADQAQVVTG-KGLIPLIRSA-N 1 3 328.457 -0.521 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330532812 841231216 /nfs/dbraw/zinc/23/12/16/841231216.db2.gz SLTIWTVXLGVESH-OBJOEFQTSA-N 1 3 326.441 -0.402 20 0 EBADHO [NH3+]CC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001330542460 841233861 /nfs/dbraw/zinc/23/38/61/841233861.db2.gz ADAUQYQLRIQSCG-OAHLLOKOSA-N 1 3 338.452 -0.447 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001331133676 841347858 /nfs/dbraw/zinc/34/78/58/841347858.db2.gz JHTBYUTXTWRRQN-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC001331169529 841363021 /nfs/dbraw/zinc/36/30/21/841363021.db2.gz WITIRNMRJLEBHJ-KGLIPLIRSA-N 1 3 339.484 -0.485 20 0 EBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001333542681 841902991 /nfs/dbraw/zinc/90/29/91/841902991.db2.gz LPHWLCLFLFSXSU-BPLDGKMQSA-N 1 3 338.452 -0.258 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001335538389 842301176 /nfs/dbraw/zinc/30/11/76/842301176.db2.gz SVJJRMKNTJOQOK-JKSUJKDBSA-N 1 3 339.484 -0.478 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001336633400 842520782 /nfs/dbraw/zinc/52/07/82/842520782.db2.gz XHPYSYFQRUXQGM-OLZOCXBDSA-N 1 3 326.441 -0.815 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336677847 842533994 /nfs/dbraw/zinc/53/39/94/842533994.db2.gz UTZFFSCMWKUNRN-RRFJBIMHSA-N 1 3 337.468 -0.909 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340206288 842981705 /nfs/dbraw/zinc/98/17/05/842981705.db2.gz QTKKWMXSZABIOJ-XEZPLFJOSA-N 1 3 326.441 -0.842 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COC(C)(C)C1 ZINC001342346158 843156349 /nfs/dbraw/zinc/15/63/49/843156349.db2.gz JVEAOWVVZURYNR-ZDUSSCGKSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]1CN(C)CCN1C ZINC001346766431 843550296 /nfs/dbraw/zinc/55/02/96/843550296.db2.gz INFQVVPAFRLGKL-HOTGVXAUSA-N 1 3 342.532 -0.197 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC001347075549 843588273 /nfs/dbraw/zinc/58/82/73/843588273.db2.gz SRNBOUZUSBKCLF-VXGBXAGGSA-N 1 3 348.407 -1.000 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC001347075549 843588280 /nfs/dbraw/zinc/58/82/80/843588280.db2.gz SRNBOUZUSBKCLF-VXGBXAGGSA-N 1 3 348.407 -1.000 20 0 EBADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001347107821 843592673 /nfs/dbraw/zinc/59/26/73/843592673.db2.gz DBTPXGXZNSWDHN-HRCADAONSA-N 1 3 325.501 -0.237 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCCN(C)S(C)(=O)=O ZINC001691317503 1125850556 /nfs/dbraw/zinc/85/05/56/1125850556.db2.gz XEWJORIMJSEXLL-AWEZNQCLSA-N 1 3 348.513 -0.201 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCCN(C)S(C)(=O)=O ZINC001691317503 1125850557 /nfs/dbraw/zinc/85/05/57/1125850557.db2.gz XEWJORIMJSEXLL-AWEZNQCLSA-N 1 3 348.513 -0.201 20 0 EBADHO O=C(NCc1nc(C[NH2+]CCCO)cc(=O)[n-]1)C12CCC[NH+]1CCC2 ZINC001691421663 1125859815 /nfs/dbraw/zinc/85/98/15/1125859815.db2.gz LCYAGVWYRIHRCL-UHFFFAOYSA-N 1 3 349.435 -0.101 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001691458817 1125881773 /nfs/dbraw/zinc/88/17/73/1125881773.db2.gz IDBMOZKMFOQCMT-UHFFFAOYSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001481280027 1125963052 /nfs/dbraw/zinc/96/30/52/1125963052.db2.gz NEVRWKORBXZZTP-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001481280027 1125963053 /nfs/dbraw/zinc/96/30/53/1125963053.db2.gz NEVRWKORBXZZTP-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001481320343 1125974046 /nfs/dbraw/zinc/97/40/46/1125974046.db2.gz YTCSVUSGHGANAR-GFCCVEGCSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742823 1129251758 /nfs/dbraw/zinc/25/17/58/1129251758.db2.gz UZTVMBDVGNOFRX-CMPLNLGQSA-N 1 3 327.429 -0.606 20 0 EBADHO O=C(NCC[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455603 1125993353 /nfs/dbraw/zinc/99/33/53/1125993353.db2.gz BIHPRWCKHRWLOU-KGLIPLIRSA-N 1 3 348.447 -0.284 20 0 EBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317049 1126129790 /nfs/dbraw/zinc/12/97/90/1126129790.db2.gz NHKGCTNBPFJBCI-RYUDHWBXSA-N 1 3 341.456 -0.119 20 0 EBADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)NC(N)=O ZINC001482495771 1126185102 /nfs/dbraw/zinc/18/51/02/1126185102.db2.gz RJLXMSRFGSIWGL-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482730337 1126269244 /nfs/dbraw/zinc/26/92/44/1126269244.db2.gz XBIMETPLYXNCHL-ZFWWWQNUSA-N 1 3 340.468 -0.546 20 0 EBADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482730337 1126269245 /nfs/dbraw/zinc/26/92/45/1126269245.db2.gz XBIMETPLYXNCHL-ZFWWWQNUSA-N 1 3 340.468 -0.546 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC001482737767 1126272074 /nfs/dbraw/zinc/27/20/74/1126272074.db2.gz SXKMNWSQHDBMRB-CQSZACIVSA-N 1 3 340.468 -0.404 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001482761445 1126280158 /nfs/dbraw/zinc/28/01/58/1126280158.db2.gz IOSKKPVSPYMKFP-YDHLFZDLSA-N 1 3 340.468 -0.596 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001482761445 1126280159 /nfs/dbraw/zinc/28/01/59/1126280159.db2.gz IOSKKPVSPYMKFP-YDHLFZDLSA-N 1 3 340.468 -0.596 20 0 EBADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O)N1CCCC1 ZINC001482756867 1126278900 /nfs/dbraw/zinc/27/89/00/1126278900.db2.gz VOSTYEARFKYNGW-CQSZACIVSA-N 1 3 340.468 -0.450 20 0 EBADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764959 1126281524 /nfs/dbraw/zinc/28/15/24/1126281524.db2.gz ZSOLYFZEOHCKDK-HIFRSBDPSA-N 1 3 342.484 -0.350 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775533 1126285406 /nfs/dbraw/zinc/28/54/06/1126285406.db2.gz RUWPBLZNAQOFCP-GJZGRUSLSA-N 1 3 340.468 -0.405 20 0 EBADHO C[C@H](NC[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784807 1126290107 /nfs/dbraw/zinc/29/01/07/1126290107.db2.gz MRYWSWLNGCFQKK-SMDDNHRTSA-N 1 3 326.441 -0.951 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001482838992 1126297157 /nfs/dbraw/zinc/29/71/57/1126297157.db2.gz HMWPKFPSPWWABT-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023277 1126314274 /nfs/dbraw/zinc/31/42/74/1126314274.db2.gz XBGLHGJKZLDIOH-LDIIPZEWSA-N 1 3 339.440 -0.294 20 0 EBADHO C[C@H](NC/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001483023277 1126314275 /nfs/dbraw/zinc/31/42/75/1126314275.db2.gz XBGLHGJKZLDIOH-LDIIPZEWSA-N 1 3 339.440 -0.294 20 0 EBADHO CC(C)(C(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043984 1126318485 /nfs/dbraw/zinc/31/84/85/1126318485.db2.gz YSIZOKGTKUCUFS-OOPCZODUSA-N 1 3 336.436 -0.072 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001483198012 1126352784 /nfs/dbraw/zinc/35/27/84/1126352784.db2.gz UKWGCQYVNUIHKY-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H](NCc1cnnn1C)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001409382704 1126361215 /nfs/dbraw/zinc/36/12/15/1126361215.db2.gz IPESKHMJTLXLSS-CHWSQXEVSA-N 1 3 348.455 -0.130 20 0 EBADHO C[C@@H](NC[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597042 1126438958 /nfs/dbraw/zinc/43/89/58/1126438958.db2.gz UJUCMRIKSGRTQZ-BXUZGUMPSA-N 1 3 326.441 -0.545 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2(NCCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001483734806 1126465297 /nfs/dbraw/zinc/46/52/97/1126465297.db2.gz GIFVCYMPLKKOAL-VXGBXAGGSA-N 1 3 332.470 -0.886 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2(NCCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001483734806 1126465300 /nfs/dbraw/zinc/46/53/00/1126465300.db2.gz GIFVCYMPLKKOAL-VXGBXAGGSA-N 1 3 332.470 -0.886 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC[C@@H]1CCOC1 ZINC001483942530 1126491500 /nfs/dbraw/zinc/49/15/00/1126491500.db2.gz JYRLNVGIURKMJW-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H](NC[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001483930049 1126490360 /nfs/dbraw/zinc/49/03/60/1126490360.db2.gz WOHJSMKCVKYNDV-STQMWFEESA-N 1 3 336.440 -0.487 20 0 EBADHO C[C@@]1(C[NH2+]CCNS(C)(=O)=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113516 1126506785 /nfs/dbraw/zinc/50/67/85/1126506785.db2.gz HDZYKQBDMCXDRT-AWEZNQCLSA-N 1 3 343.453 -0.670 20 0 EBADHO CCOCCN1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484243683 1126539102 /nfs/dbraw/zinc/53/91/02/1126539102.db2.gz ZMPMMEPDMLURDO-KRWDZBQOSA-N 1 3 343.468 -0.313 20 0 EBADHO CCOCCN1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484243684 1126539193 /nfs/dbraw/zinc/53/91/93/1126539193.db2.gz ZMPMMEPDMLURDO-QGZVFWFLSA-N 1 3 343.468 -0.313 20 0 EBADHO C[C@H]([NH2+]CCN1CCNC1=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484356320 1126565032 /nfs/dbraw/zinc/56/50/32/1126565032.db2.gz KRMQAEUOBHKOAU-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO CN1CC[C@@H](NCCN(CCO)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001484485441 1126595201 /nfs/dbraw/zinc/59/52/01/1126595201.db2.gz JVWSKTLQPMZHJS-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CC[C@@H](NCCN(CCO)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001484485441 1126595202 /nfs/dbraw/zinc/59/52/02/1126595202.db2.gz JVWSKTLQPMZHJS-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001484681541 1126616451 /nfs/dbraw/zinc/61/64/51/1126616451.db2.gz XBYDDDDFIAUKCI-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676930 1126618465 /nfs/dbraw/zinc/61/84/65/1126618465.db2.gz GOGYCVGUMBSXMM-HUUCEWRRSA-N 1 3 338.452 -0.719 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687281 1126621757 /nfs/dbraw/zinc/62/17/57/1126621757.db2.gz IOKGFDSOEYHVRT-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)[C@H]1CCC(=O)NC1=O ZINC001484764763 1126629500 /nfs/dbraw/zinc/62/95/00/1126629500.db2.gz MZUJIEMUMGFJNE-ZDUSSCGKSA-N 1 3 326.441 -0.086 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)[C@H]1CCC(=O)NC1=O ZINC001484764763 1126629501 /nfs/dbraw/zinc/62/95/01/1126629501.db2.gz MZUJIEMUMGFJNE-ZDUSSCGKSA-N 1 3 326.441 -0.086 20 0 EBADHO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001484954058 1126658149 /nfs/dbraw/zinc/65/81/49/1126658149.db2.gz CKIRCFQRQFBIRK-UHFFFAOYSA-N 1 3 326.441 -0.840 20 0 EBADHO C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001485227095 1126682409 /nfs/dbraw/zinc/68/24/09/1126682409.db2.gz UUOUNHINYRUVKE-OLZOCXBDSA-N 1 3 341.456 -0.070 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)N(C)C2(C[NH3+])CCOCC2)CC1=O ZINC001649111445 1126875601 /nfs/dbraw/zinc/87/56/01/1126875601.db2.gz GWLFVYGKRLROQP-CYBMUJFWSA-N 1 3 326.441 -0.637 20 0 EBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCCNS(C)(=O)=O ZINC001485918538 1126915266 /nfs/dbraw/zinc/91/52/66/1126915266.db2.gz GULLQIMAYMOKNW-LBPRGKRZSA-N 1 3 334.486 -0.686 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485921954 1126916071 /nfs/dbraw/zinc/91/60/71/1126916071.db2.gz FPRPOVZFBMAPQL-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485921954 1126916077 /nfs/dbraw/zinc/91/60/77/1126916077.db2.gz FPRPOVZFBMAPQL-NWDGAFQWSA-N 1 3 327.429 -0.780 20 0 EBADHO Cn1nnc2cc(CN[C@H](CO)CNC(=O)CC[NH+](C)C)ccc21 ZINC001486030179 1127001070 /nfs/dbraw/zinc/00/10/70/1127001070.db2.gz HJRBRGYFFRATKH-ZDUSSCGKSA-N 1 3 334.424 -0.513 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001486093760 1127031149 /nfs/dbraw/zinc/03/11/49/1127031149.db2.gz ZVZZSAFCFNOSKR-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001486093760 1127031153 /nfs/dbraw/zinc/03/11/53/1127031153.db2.gz ZVZZSAFCFNOSKR-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486125805 1127035590 /nfs/dbraw/zinc/03/55/90/1127035590.db2.gz BSJUUDKQROWJAG-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125805 1127035587 /nfs/dbraw/zinc/03/55/87/1127035587.db2.gz BSJUUDKQROWJAG-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486246291 1127066162 /nfs/dbraw/zinc/06/61/62/1127066162.db2.gz IHOYDBRZTMUKQH-LBPRGKRZSA-N 1 3 341.456 -0.260 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486246291 1127066166 /nfs/dbraw/zinc/06/61/66/1127066166.db2.gz IHOYDBRZTMUKQH-LBPRGKRZSA-N 1 3 341.456 -0.260 20 0 EBADHO CN(CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)C1CCC1 ZINC001486235175 1127071503 /nfs/dbraw/zinc/07/15/03/1127071503.db2.gz SUDFBFPVUIJNTB-LBPRGKRZSA-N 1 3 339.440 -0.508 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001486316869 1127118641 /nfs/dbraw/zinc/11/86/41/1127118641.db2.gz ADBNHPHZCHPNNG-KGLIPLIRSA-N 1 3 338.456 -0.486 20 0 EBADHO CN(CCn1cccn1)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486346362 1127158131 /nfs/dbraw/zinc/15/81/31/1127158131.db2.gz DAAVZSJVJAOBHK-INIZCTEOSA-N 1 3 337.468 -0.024 20 0 EBADHO CN(CCOCCN[C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486498446 1127191645 /nfs/dbraw/zinc/19/16/45/1127191645.db2.gz AQKMGUHSZWXRAB-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(CCOCCN[C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486498446 1127191647 /nfs/dbraw/zinc/19/16/47/1127191647.db2.gz AQKMGUHSZWXRAB-KGLIPLIRSA-N 1 3 326.441 -0.719 20 0 EBADHO CCCN(C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001487034189 1127386165 /nfs/dbraw/zinc/38/61/65/1127386165.db2.gz NRIBTWGICHUETH-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001487034189 1127386168 /nfs/dbraw/zinc/38/61/68/1127386168.db2.gz NRIBTWGICHUETH-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127393 1127591990 /nfs/dbraw/zinc/59/19/90/1127591990.db2.gz COPLUEYQHTUSJE-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144256 1127607314 /nfs/dbraw/zinc/60/73/14/1127607314.db2.gz BYHQQWBHWWYSOZ-UONOGXRCSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H](NCC(=O)N1CCCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155493 1127616952 /nfs/dbraw/zinc/61/69/52/1127616952.db2.gz IDSJLMVQBFPHBX-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001410156911 1127618219 /nfs/dbraw/zinc/61/82/19/1127618219.db2.gz XBZUOOVJJZHZSF-KGLIPLIRSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)NC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150325 1127628551 /nfs/dbraw/zinc/62/85/51/1127628551.db2.gz FIDBETUQVLFXDQ-KGLIPLIRSA-N 1 3 328.457 -0.332 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410392149 1127698840 /nfs/dbraw/zinc/69/88/40/1127698840.db2.gz YZHOZUREPHXDDD-YNEHKIRRSA-N 1 3 341.456 -0.391 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410392149 1127698842 /nfs/dbraw/zinc/69/88/42/1127698842.db2.gz YZHOZUREPHXDDD-YNEHKIRRSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCOCC1 ZINC001410446849 1127717060 /nfs/dbraw/zinc/71/70/60/1127717060.db2.gz GQYOGOGYCWVQJH-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001411050541 1127988130 /nfs/dbraw/zinc/98/81/30/1127988130.db2.gz ALXGIDRITZORGA-MGPQQGTHSA-N 1 3 342.484 -0.350 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001411050541 1127988132 /nfs/dbraw/zinc/98/81/32/1127988132.db2.gz ALXGIDRITZORGA-MGPQQGTHSA-N 1 3 342.484 -0.350 20 0 EBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001411055446 1127989963 /nfs/dbraw/zinc/98/99/63/1127989963.db2.gz AEVRBDRLMACRTR-UONOGXRCSA-N 1 3 338.456 -0.104 20 0 EBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001411055446 1127989966 /nfs/dbraw/zinc/98/99/66/1127989966.db2.gz AEVRBDRLMACRTR-UONOGXRCSA-N 1 3 338.456 -0.104 20 0 EBADHO CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001411098292 1128015373 /nfs/dbraw/zinc/01/53/73/1128015373.db2.gz NXLIHDAIXGUILC-ZIAGYGMSSA-N 1 3 328.457 -0.738 20 0 EBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001411102850 1128017421 /nfs/dbraw/zinc/01/74/21/1128017421.db2.gz KMVTWAOSFJAXMK-CQSZACIVSA-N 1 3 338.456 -0.246 20 0 EBADHO CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122205 1128023631 /nfs/dbraw/zinc/02/36/31/1128023631.db2.gz GVQCYLBEURKTPB-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001411237629 1128101607 /nfs/dbraw/zinc/10/16/07/1128101607.db2.gz PEGVBORKAGMFTE-BPCQOVAHSA-N 1 3 339.440 -0.495 20 0 EBADHO CC[C@H](C(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1)N(C)C ZINC001093400075 1128341098 /nfs/dbraw/zinc/34/10/98/1128341098.db2.gz DRQFTLKKODMBEH-XOYHFGRZSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176753276 1128349725 /nfs/dbraw/zinc/34/97/25/1128349725.db2.gz DXBMVPXPFUJYLX-GFCCVEGCSA-N 1 3 329.445 -0.214 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403238 1128741415 /nfs/dbraw/zinc/74/14/15/1128741415.db2.gz QTBSRDVOIWCSNH-HUUCEWRRSA-N 1 3 342.484 -0.254 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001489399080 1128971044 /nfs/dbraw/zinc/97/10/44/1128971044.db2.gz KXFWGQLCTYYWDR-ZIAGYGMSSA-N 1 3 328.457 -0.644 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001489399080 1128971048 /nfs/dbraw/zinc/97/10/48/1128971048.db2.gz KXFWGQLCTYYWDR-ZIAGYGMSSA-N 1 3 328.457 -0.644 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480550469 1131389418 /nfs/dbraw/zinc/38/94/18/1131389418.db2.gz ZHYJAKXHPTYHTC-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001480550469 1131389425 /nfs/dbraw/zinc/38/94/25/1131389425.db2.gz ZHYJAKXHPTYHTC-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)C(C)(C)N1CCCC1 ZINC001413284546 1129989382 /nfs/dbraw/zinc/98/93/82/1129989382.db2.gz DEXPNKGEJNCHGP-AWEZNQCLSA-N 1 3 342.484 -0.252 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001490928303 1130266780 /nfs/dbraw/zinc/26/67/80/1130266780.db2.gz LOXYVOIHNURYSL-YVECIDJPSA-N 1 3 339.440 -0.591 20 0 EBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(=O)NC1CC1 ZINC001491567166 1130553010 /nfs/dbraw/zinc/55/30/10/1130553010.db2.gz DEKMBBHVWFEULU-NSHDSACASA-N 1 3 339.440 -0.589 20 0 EBADHO CC[NH+]1CCN(CCCNC(=O)CN2CCC(CO)CC2)CC1 ZINC001357928668 1131148097 /nfs/dbraw/zinc/14/80/97/1131148097.db2.gz CAERICKNGQGZJQ-UHFFFAOYSA-N 1 3 326.485 -0.166 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(S(N)(=O)=O)CC1 ZINC001365653614 1132748284 /nfs/dbraw/zinc/74/82/84/1132748284.db2.gz YQPIQSQPJAODFA-LBPRGKRZSA-N 1 3 349.501 -0.621 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(S(N)(=O)=O)CC1 ZINC001365653614 1132748290 /nfs/dbraw/zinc/74/82/90/1132748290.db2.gz YQPIQSQPJAODFA-LBPRGKRZSA-N 1 3 349.501 -0.621 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001365850546 1132832750 /nfs/dbraw/zinc/83/27/50/1132832750.db2.gz YBYRERJUINTAKY-OBJOEFQTSA-N 1 3 341.456 -0.487 20 0 EBADHO C[C@@H]1CN(C(=O)CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001366097839 1133003363 /nfs/dbraw/zinc/00/33/63/1133003363.db2.gz JVCKHPZXMZHJOX-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001366105167 1133008313 /nfs/dbraw/zinc/00/83/13/1133008313.db2.gz ROSOCRZWVYKZTR-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001366105167 1133008311 /nfs/dbraw/zinc/00/83/11/1133008311.db2.gz ROSOCRZWVYKZTR-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366109924 1133010670 /nfs/dbraw/zinc/01/06/70/1133010670.db2.gz BSKCZNMSSBBNHF-GMTAPVOTSA-N 1 3 331.392 -0.902 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366112151 1133011002 /nfs/dbraw/zinc/01/10/02/1133011002.db2.gz KDTAZROZDXASEK-DDHJBXDOSA-N 1 3 345.419 -0.514 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001366114989 1133013072 /nfs/dbraw/zinc/01/30/72/1133013072.db2.gz QEEJPPSUPZJTBW-HAQNSBGRSA-N 1 3 339.440 -0.447 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)N(C)C ZINC001366120107 1133015885 /nfs/dbraw/zinc/01/58/85/1133015885.db2.gz VAFLOABPFPWWHM-KBUPBQIOSA-N 1 3 340.468 -0.189 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001366124723 1133017166 /nfs/dbraw/zinc/01/71/66/1133017166.db2.gz MOSPHQQPCAVIKQ-KKOKHZNYSA-N 1 3 327.429 -0.593 20 0 EBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366129104 1133019121 /nfs/dbraw/zinc/01/91/21/1133019121.db2.gz FDBBALJRZWISSR-IHRRRGAJSA-N 1 3 336.440 -0.480 20 0 EBADHO CS(=O)(=O)CCN[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366145541 1133026012 /nfs/dbraw/zinc/02/60/12/1133026012.db2.gz IAAHZALZTRBNJU-HZSPNIEDSA-N 1 3 329.466 -0.390 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001366210282 1133057670 /nfs/dbraw/zinc/05/76/70/1133057670.db2.gz BVROLIWGZYCPGZ-FRRDWIJNSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001366210282 1133057677 /nfs/dbraw/zinc/05/76/77/1133057677.db2.gz BVROLIWGZYCPGZ-FRRDWIJNSA-N 1 3 339.440 -0.508 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CNCC(=O)NC(N)=O)CC1 ZINC001366215497 1133060052 /nfs/dbraw/zinc/06/00/52/1133060052.db2.gz GOKTVNBNRWPNLT-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366287328 1133084512 /nfs/dbraw/zinc/08/45/12/1133084512.db2.gz NUJFUOYWCJEBAM-KBPBESRZSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001366289614 1133086369 /nfs/dbraw/zinc/08/63/69/1133086369.db2.gz SLSJALXIWKLBJO-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366329381 1133100300 /nfs/dbraw/zinc/10/03/00/1133100300.db2.gz VRVYCBQKPVCLQD-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336605 1133103395 /nfs/dbraw/zinc/10/33/95/1133103395.db2.gz OHZVQJHNJCAYJG-ZUZCIYMTSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336605 1133103398 /nfs/dbraw/zinc/10/33/98/1133103398.db2.gz OHZVQJHNJCAYJG-ZUZCIYMTSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367390506 1133574263 /nfs/dbraw/zinc/57/42/63/1133574263.db2.gz ZCRNIJCOONXNMS-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001367562547 1133631860 /nfs/dbraw/zinc/63/18/60/1133631860.db2.gz NKMQZOAJZSXJIW-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO CCN1CC[C@H](NC[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609361 1133689184 /nfs/dbraw/zinc/68/91/84/1133689184.db2.gz QOOUVSJUWPEERO-KGLIPLIRSA-N 1 3 338.452 -0.698 20 0 EBADHO CCN1CC[C@H](NC[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609354 1133689202 /nfs/dbraw/zinc/68/92/02/1133689202.db2.gz QOOUVSJUWPEERO-KBPBESRZSA-N 1 3 338.452 -0.698 20 0 EBADHO C[C@H](CNCC(=O)NC[C@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001367694706 1133749602 /nfs/dbraw/zinc/74/96/02/1133749602.db2.gz CMFRHQOGRHADLD-UKRRQHHQSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906039 1133834177 /nfs/dbraw/zinc/83/41/77/1133834177.db2.gz ABOOLWUWXFQRMH-GWCFXTLKSA-N 1 3 339.440 -0.604 20 0 EBADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)N(C)C ZINC001368018937 1133899789 /nfs/dbraw/zinc/89/97/89/1133899789.db2.gz KJDOCWKIVGZKKI-OLZOCXBDSA-N 1 3 331.482 0.000 20 0 EBADHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141727 1133955468 /nfs/dbraw/zinc/95/54/68/1133955468.db2.gz YQYOEZHWEUDNDM-AAEUAGOBSA-N 1 3 341.456 -0.214 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(C[C@H](O)CN2CCCC2=O)C1 ZINC001368162958 1133972765 /nfs/dbraw/zinc/97/27/65/1133972765.db2.gz POADKEKIRBRNRY-YOEHRIQHSA-N 1 3 340.468 -0.498 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(CCn3cncn3)C2)CC1 ZINC001368254053 1134036465 /nfs/dbraw/zinc/03/64/65/1134036465.db2.gz AIGACPUFURPRTJ-INIZCTEOSA-N 1 3 336.440 -0.827 20 0 EBADHO CNC(=O)C[NH2+]C1CCN(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001368368728 1134172375 /nfs/dbraw/zinc/17/23/75/1134172375.db2.gz OBLRKCSNSKJABL-UHFFFAOYSA-N 1 3 339.484 -0.613 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)NC)C2)C1 ZINC001368502758 1134255930 /nfs/dbraw/zinc/25/59/30/1134255930.db2.gz DZGCNGWUVGDXGW-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)NC)C2)C1 ZINC001368502758 1134255934 /nfs/dbraw/zinc/25/59/34/1134255934.db2.gz DZGCNGWUVGDXGW-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H](CN[C@H](C)C(=O)NC)C1 ZINC001368515848 1134267686 /nfs/dbraw/zinc/26/76/86/1134267686.db2.gz WAOGTNUFINOEGL-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H](CN[C@H](C)C(=O)NC)C1 ZINC001368515848 1134267689 /nfs/dbraw/zinc/26/76/89/1134267689.db2.gz WAOGTNUFINOEGL-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523343 1134274083 /nfs/dbraw/zinc/27/40/83/1134274083.db2.gz XQBFBCCPBRCDOJ-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368525000 1134275697 /nfs/dbraw/zinc/27/56/97/1134275697.db2.gz YQSVXJFYGQHWSX-ZBFHGGJFSA-N 1 3 342.484 -0.132 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001368538571 1134282423 /nfs/dbraw/zinc/28/24/23/1134282423.db2.gz ZTJUQWGYPWTEDI-UTUOFQBUSA-N 1 3 327.429 -0.606 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001368625662 1134336852 /nfs/dbraw/zinc/33/68/52/1134336852.db2.gz CKCIVGHKKFZSEF-ZDUSSCGKSA-N 1 3 326.441 -0.401 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001368653593 1134357117 /nfs/dbraw/zinc/35/71/17/1134357117.db2.gz FGOLAUFRSCDDBB-OLZOCXBDSA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)CN[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001368656625 1134359375 /nfs/dbraw/zinc/35/93/75/1134359375.db2.gz DWQSHCBBFOWBIY-OCCSQVGLSA-N 1 3 336.440 -0.759 20 0 EBADHO CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001368685714 1134385520 /nfs/dbraw/zinc/38/55/20/1134385520.db2.gz JLOARDJUVZOGIR-AWEZNQCLSA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001368685714 1134385527 /nfs/dbraw/zinc/38/55/27/1134385527.db2.gz JLOARDJUVZOGIR-AWEZNQCLSA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001368840006 1134461981 /nfs/dbraw/zinc/46/19/81/1134461981.db2.gz KQKROYRKXHWJQK-GHMZBOCLSA-N 1 3 327.429 -0.591 20 0 EBADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368898104 1134478966 /nfs/dbraw/zinc/47/89/66/1134478966.db2.gz ARTFYCAILOVROH-BPCQOVAHSA-N 1 3 339.440 -0.365 20 0 EBADHO COC[C@@H](O)CN1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092990 1134560833 /nfs/dbraw/zinc/56/08/33/1134560833.db2.gz BHVHATNXJUWYQO-ZFWWWQNUSA-N 1 3 343.468 -0.459 20 0 EBADHO C[C@H](NCC(=O)NC1CC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369160324 1134600321 /nfs/dbraw/zinc/60/03/21/1134600321.db2.gz ZJRTWHLIRLYSDG-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409378 1134765799 /nfs/dbraw/zinc/76/57/99/1134765799.db2.gz WSBHTHZFKGSPOK-CHWSQXEVSA-N 1 3 329.466 -0.294 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443758 1134783094 /nfs/dbraw/zinc/78/30/94/1134783094.db2.gz RGJJMPDVALRQJP-NWDGAFQWSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN(CC)CC(=O)N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370705147 1135523729 /nfs/dbraw/zinc/52/37/29/1135523729.db2.gz CIBSLCMXFZSOKH-GJZGRUSLSA-N 1 3 340.468 -0.737 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370720975 1135544678 /nfs/dbraw/zinc/54/46/78/1135544678.db2.gz ZOEZRGFGRNELCS-HUUCEWRRSA-N 1 3 340.468 -0.738 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813523 1135654356 /nfs/dbraw/zinc/65/43/56/1135654356.db2.gz XIJYLANUEJUIJF-ZFWWWQNUSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813522 1135654435 /nfs/dbraw/zinc/65/44/35/1135654435.db2.gz XIJYLANUEJUIJF-UKRRQHHQSA-N 1 3 340.468 -0.737 20 0 EBADHO CN(C)C1(C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)CCC1 ZINC001371028328 1135793353 /nfs/dbraw/zinc/79/33/53/1135793353.db2.gz AUNJTDIFLYIEQI-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001371345062 1135893208 /nfs/dbraw/zinc/89/32/08/1135893208.db2.gz HMHRVKCSZMKKDK-UKRRQHHQSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001371534503 1135958397 /nfs/dbraw/zinc/95/83/97/1135958397.db2.gz GAXYWVJFBYTORL-ZNMIVQPWSA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001371534503 1135958399 /nfs/dbraw/zinc/95/83/99/1135958399.db2.gz GAXYWVJFBYTORL-ZNMIVQPWSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O)N(C)C ZINC001371539970 1135962061 /nfs/dbraw/zinc/96/20/61/1135962061.db2.gz DCDXUXPXCGYXKH-ILXRZTDVSA-N 1 3 340.468 -0.644 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001371562915 1135971021 /nfs/dbraw/zinc/97/10/21/1135971021.db2.gz ITINUFKZFXQAHH-LLVKDONJSA-N 1 3 325.413 -0.896 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001372937608 1136331406 /nfs/dbraw/zinc/33/14/06/1136331406.db2.gz IWRSSPXQRZXMSW-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001372937608 1136331411 /nfs/dbraw/zinc/33/14/11/1136331411.db2.gz IWRSSPXQRZXMSW-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374250624 1136658096 /nfs/dbraw/zinc/65/80/96/1136658096.db2.gz RFZNYROBLNZQPD-CHWSQXEVSA-N 1 3 341.456 -0.262 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374250624 1136658099 /nfs/dbraw/zinc/65/80/99/1136658099.db2.gz RFZNYROBLNZQPD-CHWSQXEVSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN1CC[C@@H](NC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001374641320 1136769214 /nfs/dbraw/zinc/76/92/14/1136769214.db2.gz ZUIZEBLAEXWECH-QWHCGFSZSA-N 1 3 326.441 -0.984 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@H](O)CNCc2ccccn2)CC1 ZINC001374657268 1136779877 /nfs/dbraw/zinc/77/98/77/1136779877.db2.gz ISAPGIVBFPXZFF-OAHLLOKOSA-N 1 3 336.436 -0.241 20 0 EBADHO CN(C)Cc1cccc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)c1 ZINC001374686074 1136801602 /nfs/dbraw/zinc/80/16/02/1136801602.db2.gz RWAOZELIKFSWSV-INIZCTEOSA-N 1 3 348.447 -0.339 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC2CN(C(=O)CN3CCCC3)C2)CC1 ZINC001374749048 1136821797 /nfs/dbraw/zinc/82/17/97/1136821797.db2.gz HBUVARKDQZUROX-UHFFFAOYSA-N 1 3 338.452 -0.480 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643594605 375923164 /nfs/dbraw/zinc/92/31/64/375923164.db2.gz XNUJZIKCVRBOKS-CABCVRRESA-N 1 3 337.468 -0.955 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000625287798 376043075 /nfs/dbraw/zinc/04/30/75/376043075.db2.gz MTJFRTCIPAKQNK-AWEZNQCLSA-N 1 3 348.513 -0.390 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CCO1 ZINC000642732129 376055965 /nfs/dbraw/zinc/05/59/65/376055965.db2.gz APHCACBUMWAHFH-MGPQQGTHSA-N 1 3 326.441 -0.591 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](CN)C1 ZINC000584043464 376061615 /nfs/dbraw/zinc/06/16/15/376061615.db2.gz XFBOTRPACNDGRU-MCIONIFRSA-N 1 3 325.457 -0.923 20 0 EBADHO O[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722752 376213086 /nfs/dbraw/zinc/21/30/86/376213086.db2.gz ULEBFQHFVHHNKJ-SJORKVTESA-N 1 3 331.420 -0.134 20 0 EBADHO O[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1ccnn1 ZINC000634722752 376213089 /nfs/dbraw/zinc/21/30/89/376213089.db2.gz ULEBFQHFVHHNKJ-SJORKVTESA-N 1 3 331.420 -0.134 20 0 EBADHO C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000584218028 376220259 /nfs/dbraw/zinc/22/02/59/376220259.db2.gz UOSTUFOVACXCBO-GJZGRUSLSA-N 1 3 342.484 -0.442 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC000558209870 376228806 /nfs/dbraw/zinc/22/88/06/376228806.db2.gz LPQALUDDWYHBEN-MRXNPFEDSA-N 1 3 328.457 -0.519 20 0 EBADHO CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000408033298 376290887 /nfs/dbraw/zinc/29/08/87/376290887.db2.gz KEUDRXKXIZFUQV-HUUCEWRRSA-N 1 3 332.514 -0.117 20 0 EBADHO CNS(=O)(=O)CCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000408033298 376290896 /nfs/dbraw/zinc/29/08/96/376290896.db2.gz KEUDRXKXIZFUQV-HUUCEWRRSA-N 1 3 332.514 -0.117 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000564933480 376411466 /nfs/dbraw/zinc/41/14/66/376411466.db2.gz ABXNZSUMDAEWHN-CQSZACIVSA-N 1 3 337.472 -0.370 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000560315163 376675325 /nfs/dbraw/zinc/67/53/25/376675325.db2.gz PGAANVQUXHTNTI-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO COc1cnccc1N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000561203721 376814744 /nfs/dbraw/zinc/81/47/44/376814744.db2.gz LSECNXGLIHYAEA-UHFFFAOYSA-N 1 3 348.451 -0.173 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](CN)C1 ZINC000561234628 376817738 /nfs/dbraw/zinc/81/77/38/376817738.db2.gz QLZATFJNXXWZHM-KBPBESRZSA-N 1 3 341.500 -0.430 20 0 EBADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000562961590 377066391 /nfs/dbraw/zinc/06/63/91/377066391.db2.gz CTCBUJJDQBBXLA-HUUCEWRRSA-N 1 3 339.484 -0.580 20 0 EBADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000562961590 377066401 /nfs/dbraw/zinc/06/64/01/377066401.db2.gz CTCBUJJDQBBXLA-HUUCEWRRSA-N 1 3 339.484 -0.580 20 0 EBADHO NC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC000569977553 377190262 /nfs/dbraw/zinc/19/02/62/377190262.db2.gz PBCPVHBYGLNOGP-OAHLLOKOSA-N 1 3 348.451 -0.435 20 0 EBADHO NC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC000569977553 377190272 /nfs/dbraw/zinc/19/02/72/377190272.db2.gz PBCPVHBYGLNOGP-OAHLLOKOSA-N 1 3 348.451 -0.435 20 0 EBADHO NC[C@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC000569977547 377191004 /nfs/dbraw/zinc/19/10/04/377191004.db2.gz PBCPVHBYGLNOGP-HNNXBMFYSA-N 1 3 348.451 -0.435 20 0 EBADHO NC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC000569977547 377191012 /nfs/dbraw/zinc/19/10/12/377191012.db2.gz PBCPVHBYGLNOGP-HNNXBMFYSA-N 1 3 348.451 -0.435 20 0 EBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000569957972 377186994 /nfs/dbraw/zinc/18/69/94/377186994.db2.gz YIOODFHFNJSFLC-QLFBSQMISA-N 1 3 338.452 -0.352 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[C@H](CN)C1 ZINC000570919189 377299766 /nfs/dbraw/zinc/29/97/66/377299766.db2.gz IBSONJAPVYZCDZ-RHSMWYFYSA-N 1 3 337.468 -0.968 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)[C@H](CN)C1 ZINC000570919189 377299773 /nfs/dbraw/zinc/29/97/73/377299773.db2.gz IBSONJAPVYZCDZ-RHSMWYFYSA-N 1 3 337.468 -0.968 20 0 EBADHO C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000574919599 377303336 /nfs/dbraw/zinc/30/33/36/377303336.db2.gz GJAKJMJENKRVNS-INIZCTEOSA-N 1 3 348.495 -0.039 20 0 EBADHO N[C@H]1C[C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342256 377527854 /nfs/dbraw/zinc/52/78/54/377527854.db2.gz ANGRMXCKEQKCMP-STQMWFEESA-N 1 3 330.454 -0.954 20 0 EBADHO CCOC(=O)C1([C@H](C)NCC(=O)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000591570679 377721070 /nfs/dbraw/zinc/72/10/70/377721070.db2.gz AGDIJZVQJJMLNK-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879654 377967073 /nfs/dbraw/zinc/96/70/73/377967073.db2.gz FTKXHFXRGNSBLL-KFWWJZLASA-N 1 3 336.436 -0.600 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)CCN2C1=O ZINC000594879654 377967079 /nfs/dbraw/zinc/96/70/79/377967079.db2.gz FTKXHFXRGNSBLL-KFWWJZLASA-N 1 3 336.436 -0.600 20 0 EBADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595274737 377987780 /nfs/dbraw/zinc/98/77/80/377987780.db2.gz URQVIHUOKWBYDP-ZIAGYGMSSA-N 1 3 325.457 -0.082 20 0 EBADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595274737 377987783 /nfs/dbraw/zinc/98/77/83/377987783.db2.gz URQVIHUOKWBYDP-ZIAGYGMSSA-N 1 3 325.457 -0.082 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595270606 377988035 /nfs/dbraw/zinc/98/80/35/377988035.db2.gz FPOCBJDKXGSUQF-TUVASFSCSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595270606 377988040 /nfs/dbraw/zinc/98/80/40/377988040.db2.gz FPOCBJDKXGSUQF-TUVASFSCSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525956 378361993 /nfs/dbraw/zinc/36/19/93/378361993.db2.gz NJGKUCOENJCFGA-GOEBONIOSA-N 1 3 328.416 -0.355 20 0 EBADHO CCOC[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000563147738 378453909 /nfs/dbraw/zinc/45/39/09/378453909.db2.gz YEADCRNEKSFEDB-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629581068 379055395 /nfs/dbraw/zinc/05/53/95/379055395.db2.gz MCBDWFUELULCJY-KGLIPLIRSA-N 1 3 334.486 -0.697 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000629798506 379142795 /nfs/dbraw/zinc/14/27/95/379142795.db2.gz XQWRIIDRDQJFET-OAHLLOKOSA-N 1 3 339.484 -0.578 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000629798506 379142800 /nfs/dbraw/zinc/14/28/00/379142800.db2.gz XQWRIIDRDQJFET-OAHLLOKOSA-N 1 3 339.484 -0.578 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629813661 379154127 /nfs/dbraw/zinc/15/41/27/379154127.db2.gz LCICCDDGKPUJKV-UHFFFAOYSA-N 1 3 340.468 -0.103 20 0 EBADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627306010 379278548 /nfs/dbraw/zinc/27/85/48/379278548.db2.gz NGBGTJMXSHHPOH-HUUCEWRRSA-N 1 3 340.468 -0.322 20 0 EBADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627306009 379279667 /nfs/dbraw/zinc/27/96/67/379279667.db2.gz NGBGTJMXSHHPOH-GJZGRUSLSA-N 1 3 340.468 -0.322 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320478 379322150 /nfs/dbraw/zinc/32/21/50/379322150.db2.gz DNNNCRCVAQSUCA-ZDUSSCGKSA-N 1 3 326.441 -0.399 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000627312171 379304061 /nfs/dbraw/zinc/30/40/61/379304061.db2.gz RFOHKULDTOLADA-UONOGXRCSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312399 379304824 /nfs/dbraw/zinc/30/48/24/379304824.db2.gz XTWLBUOFNRNVJL-QLFBSQMISA-N 1 3 342.484 -0.097 20 0 EBADHO CN(C)CCOCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000471636700 379375400 /nfs/dbraw/zinc/37/54/00/379375400.db2.gz NYPBKYBRODTJER-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[NH2+]1 ZINC000627334034 379351314 /nfs/dbraw/zinc/35/13/14/379351314.db2.gz DAEXHLUDPGYYBD-KBPBESRZSA-N 1 3 339.484 -0.615 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621844391 379366732 /nfs/dbraw/zinc/36/67/32/379366732.db2.gz QVHZVRWXIAIQDN-XJKSGUPXSA-N 1 3 326.441 -0.589 20 0 EBADHO Nc1nc(NCCN2CCN(Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000623800276 379465275 /nfs/dbraw/zinc/46/52/75/379465275.db2.gz BTGUQFZERNOVCS-UHFFFAOYSA-N 1 3 328.424 -0.652 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425103 379592093 /nfs/dbraw/zinc/59/20/93/379592093.db2.gz FDFFHEQXXSVBFD-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627429092 379594633 /nfs/dbraw/zinc/59/46/33/379594633.db2.gz XZKWAMKCSNNEPO-QLFBSQMISA-N 1 3 338.452 -0.387 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428850 379595098 /nfs/dbraw/zinc/59/50/98/379595098.db2.gz QASZWLXDENGZFO-SNPRPXQTSA-N 1 3 338.452 -0.387 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000627358106 379565021 /nfs/dbraw/zinc/56/50/21/379565021.db2.gz ARIHYMUPCBTZLB-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCSC1 ZINC000627370888 379567904 /nfs/dbraw/zinc/56/79/04/379567904.db2.gz PNCVLXUDBLWVFX-HNNXBMFYSA-N 1 3 344.481 -0.836 20 0 EBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488701 379637973 /nfs/dbraw/zinc/63/79/73/379637973.db2.gz GRBDHMGRHJNXQT-KBPBESRZSA-N 1 3 328.457 -0.153 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627093177 379802897 /nfs/dbraw/zinc/80/28/97/379802897.db2.gz JNBZZZBHWCWERV-UYSNPLJNSA-N 1 3 339.484 -0.431 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000627093177 379802898 /nfs/dbraw/zinc/80/28/98/379802898.db2.gz JNBZZZBHWCWERV-UYSNPLJNSA-N 1 3 339.484 -0.431 20 0 EBADHO O=S(=O)(CCCN1CCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631938047 379787136 /nfs/dbraw/zinc/78/71/36/379787136.db2.gz RRVXUECQWWDNQY-HNNXBMFYSA-N 1 3 330.498 -0.218 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633094621 379933927 /nfs/dbraw/zinc/93/39/27/379933927.db2.gz KWDGYVUNGKXDQR-STQMWFEESA-N 1 3 345.403 -0.689 20 0 EBADHO C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000354737235 380089659 /nfs/dbraw/zinc/08/96/59/380089659.db2.gz IIXZAVCNIRBHDU-HUUCEWRRSA-N 1 3 339.484 -0.756 20 0 EBADHO C(CC[N@@H+]1CCN2CCOC[C@H]2C1)CN1CCN2CCOC[C@H]2C1 ZINC000543559624 380063900 /nfs/dbraw/zinc/06/39/00/380063900.db2.gz RHBMIQFCRCWQOS-QZTJIDSGSA-N 1 3 338.496 -0.201 20 0 EBADHO C(CC[N@H+]1CCN2CCOC[C@H]2C1)CN1CCN2CCOC[C@H]2C1 ZINC000543559624 380063903 /nfs/dbraw/zinc/06/39/03/380063903.db2.gz RHBMIQFCRCWQOS-QZTJIDSGSA-N 1 3 338.496 -0.201 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)CCC1 ZINC000354689764 380081285 /nfs/dbraw/zinc/08/12/85/380081285.db2.gz UKHXNYATDALSSY-UHFFFAOYSA-N 1 3 340.468 -0.593 20 0 EBADHO CN(C)[C@@]1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCSC1 ZINC000354684190 380082417 /nfs/dbraw/zinc/08/24/17/380082417.db2.gz XOILUWGLBJXKAE-SWLSCSKDSA-N 1 3 328.482 -0.202 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638099918 380136043 /nfs/dbraw/zinc/13/60/43/380136043.db2.gz WJCGBYRBEZYUBB-QGZVFWFLSA-N 1 3 340.468 -0.246 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000545882987 380100244 /nfs/dbraw/zinc/10/02/44/380100244.db2.gz PPSSYZYIFRHRTE-MRXNPFEDSA-N 1 3 327.473 -0.622 20 0 EBADHO COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCCN1 ZINC000638089334 380114563 /nfs/dbraw/zinc/11/45/63/380114563.db2.gz NXUFYTKCVQNBOP-WMLDXEAASA-N 1 3 340.468 -0.151 20 0 EBADHO COC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCCN1 ZINC000638089334 380114571 /nfs/dbraw/zinc/11/45/71/380114571.db2.gz NXUFYTKCVQNBOP-WMLDXEAASA-N 1 3 340.468 -0.151 20 0 EBADHO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(CC2CCOCC2)CC1 ZINC000367197368 380179877 /nfs/dbraw/zinc/17/98/77/380179877.db2.gz RVJUFTGASLREKN-KRWDZBQOSA-N 1 3 336.480 -0.053 20 0 EBADHO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(CC2CCOCC2)CC1 ZINC000367197368 380179881 /nfs/dbraw/zinc/17/98/81/380179881.db2.gz RVJUFTGASLREKN-KRWDZBQOSA-N 1 3 336.480 -0.053 20 0 EBADHO C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000358506861 380237261 /nfs/dbraw/zinc/23/72/61/380237261.db2.gz UKOVNBOXDRMEJQ-KGLIPLIRSA-N 1 3 325.457 -0.116 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000553308978 380321918 /nfs/dbraw/zinc/32/19/18/380321918.db2.gz HAFQNXSZTIUJDA-GFCCVEGCSA-N 1 3 335.456 -0.742 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000553308978 380321925 /nfs/dbraw/zinc/32/19/25/380321925.db2.gz HAFQNXSZTIUJDA-GFCCVEGCSA-N 1 3 335.456 -0.742 20 0 EBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226422 380293880 /nfs/dbraw/zinc/29/38/80/380293880.db2.gz GFRFHAUBNLGDQD-ROUUACIJSA-N 1 3 345.491 -0.048 20 0 EBADHO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000552988693 380313863 /nfs/dbraw/zinc/31/38/63/380313863.db2.gz OIEKKHYMNWGFFQ-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564430383 380371889 /nfs/dbraw/zinc/37/18/89/380371889.db2.gz COQYMAOJTCEMFZ-CVEARBPZSA-N 1 3 339.484 -0.214 20 0 EBADHO CN1CCC(O)(CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000340250263 380340118 /nfs/dbraw/zinc/34/01/18/380340118.db2.gz JLPQUMMTJDYVMN-UHFFFAOYSA-N 1 3 341.500 -0.232 20 0 EBADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153226519 380423500 /nfs/dbraw/zinc/42/35/00/380423500.db2.gz AFJWIHBPIQHHFP-ZDUSSCGKSA-N 1 3 336.440 -0.016 20 0 EBADHO CCN(CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CC1 ZINC000153267339 380428032 /nfs/dbraw/zinc/42/80/32/380428032.db2.gz ZZYMNBVWFQGNJB-UHFFFAOYSA-N 1 3 336.440 -0.016 20 0 EBADHO CN(C)CCNC(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638525689 380498276 /nfs/dbraw/zinc/49/82/76/380498276.db2.gz BDXRRCSICUXUEC-UHFFFAOYSA-N 1 3 333.436 -0.178 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000567385438 380515918 /nfs/dbraw/zinc/51/59/18/380515918.db2.gz COHDATOKPCZBJA-OLZOCXBDSA-N 1 3 328.457 -0.202 20 0 EBADHO CCn1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000567634405 380531840 /nfs/dbraw/zinc/53/18/40/380531840.db2.gz QZBAFOZIEHWUSP-UHFFFAOYSA-N 1 3 338.456 -0.529 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000567681988 380536259 /nfs/dbraw/zinc/53/62/59/380536259.db2.gz CNKBSIPVIHLERX-JKSUJKDBSA-N 1 3 326.485 -0.026 20 0 EBADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000567806197 380544107 /nfs/dbraw/zinc/54/41/07/380544107.db2.gz VNPCBNWDKJTMEC-ZIAGYGMSSA-N 1 3 328.457 -0.345 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000567881085 380554663 /nfs/dbraw/zinc/55/46/63/380554663.db2.gz SJSPVVZDQNPHAA-MRXNPFEDSA-N 1 3 348.447 -0.235 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000569114630 380629868 /nfs/dbraw/zinc/62/98/68/380629868.db2.gz PHJCKTQBBRUUIC-UHFFFAOYSA-N 1 3 327.425 -0.244 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000569324100 380639146 /nfs/dbraw/zinc/63/91/46/380639146.db2.gz GPIHMBNMCHSOLW-HNNXBMFYSA-N 1 3 341.500 -0.556 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000572726934 380643110 /nfs/dbraw/zinc/64/31/10/380643110.db2.gz MEBXHIZKXKDCOK-CYBMUJFWSA-N 1 3 349.501 -0.845 20 0 EBADHO CN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341154162 380672571 /nfs/dbraw/zinc/67/25/71/380672571.db2.gz DQOZATOGIIOTEU-KBPBESRZSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341154162 380672579 /nfs/dbraw/zinc/67/25/79/380672579.db2.gz DQOZATOGIIOTEU-KBPBESRZSA-N 1 3 325.457 -0.033 20 0 EBADHO C[C@H]1CN(CCC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795070 380686922 /nfs/dbraw/zinc/68/69/22/380686922.db2.gz KSVAVMDFYPVFDP-DLBZAZTESA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795070 380686929 /nfs/dbraw/zinc/68/69/29/380686929.db2.gz KSVAVMDFYPVFDP-DLBZAZTESA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795070 380686936 /nfs/dbraw/zinc/68/69/36/380686936.db2.gz KSVAVMDFYPVFDP-DLBZAZTESA-N 1 3 328.501 -0.315 20 0 EBADHO O=C(CCOC1CNC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000573916206 380692621 /nfs/dbraw/zinc/69/26/21/380692621.db2.gz LUOPATQENNBQBN-DZGCQCFKSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000574278768 380707178 /nfs/dbraw/zinc/70/71/78/380707178.db2.gz DDYCFNBNQLRXJQ-VNQPRFMTSA-N 1 3 340.468 -0.169 20 0 EBADHO NC(C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(F)(F)F ZINC000574635170 380718925 /nfs/dbraw/zinc/71/89/25/380718925.db2.gz YJLQUNKTQIOQER-GARJFASQSA-N 1 3 336.358 -0.017 20 0 EBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000575195941 380734394 /nfs/dbraw/zinc/73/43/94/380734394.db2.gz AIZFTDCGONDNEC-KKUMJFAQSA-N 1 3 338.452 -0.450 20 0 EBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)C[C@H](C)O1 ZINC000577179412 380807864 /nfs/dbraw/zinc/80/78/64/380807864.db2.gz WFPHWUFGIBDDCR-YYIAUSFCSA-N 1 3 329.485 -0.107 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000577486639 380825203 /nfs/dbraw/zinc/82/52/03/380825203.db2.gz LAHIAOQSIHTSNV-HNNXBMFYSA-N 1 3 341.500 -0.428 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000578878159 380958575 /nfs/dbraw/zinc/95/85/75/380958575.db2.gz MLNKWUHTEHQIHV-GJZGRUSLSA-N 1 3 338.452 -0.351 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000579861785 381021211 /nfs/dbraw/zinc/02/12/11/381021211.db2.gz OPKNPRMWTJYJRV-AWEZNQCLSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579973714 381028486 /nfs/dbraw/zinc/02/84/86/381028486.db2.gz IJIGIRROCWFPOZ-HZSPNIEDSA-N 1 3 325.457 -0.084 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCC(=O)NC1=O ZINC000617505840 381037180 /nfs/dbraw/zinc/03/71/80/381037180.db2.gz RQEKMANQFDKLLB-LBPRGKRZSA-N 1 3 327.429 -0.684 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCC(=O)NC1=O ZINC000617505840 381037187 /nfs/dbraw/zinc/03/71/87/381037187.db2.gz RQEKMANQFDKLLB-LBPRGKRZSA-N 1 3 327.429 -0.684 20 0 EBADHO C[C@@H](NC(=O)COC1CC[NH2+]CC1)C(=O)NCCN1CCCCC1 ZINC000581487488 381079115 /nfs/dbraw/zinc/07/91/15/381079115.db2.gz QUEZQDAVRRKILJ-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000347063229 381162555 /nfs/dbraw/zinc/16/25/55/381162555.db2.gz DKSPXTGTZBBMAX-CABCVRRESA-N 1 3 327.473 -0.358 20 0 EBADHO COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000347063229 381162558 /nfs/dbraw/zinc/16/25/58/381162558.db2.gz DKSPXTGTZBBMAX-CABCVRRESA-N 1 3 327.473 -0.358 20 0 EBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000583861995 381170126 /nfs/dbraw/zinc/17/01/26/381170126.db2.gz KDLSFCIMPCEIFE-KFWWJZLASA-N 1 3 338.452 -0.434 20 0 EBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000584770064 381210053 /nfs/dbraw/zinc/21/00/53/381210053.db2.gz LGUCJZULUOLBCY-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000347440280 381219994 /nfs/dbraw/zinc/21/99/94/381219994.db2.gz ZFZXYAMSFHUEDI-JKSUJKDBSA-N 1 3 342.484 -0.022 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000418802627 381276852 /nfs/dbraw/zinc/27/68/52/381276852.db2.gz YFDDNOFCRNSTIU-HUUCEWRRSA-N 1 3 328.457 -0.243 20 0 EBADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849353 381305638 /nfs/dbraw/zinc/30/56/38/381305638.db2.gz MQONPBNPNMPMEQ-BBWFWOEESA-N 1 3 344.459 -0.047 20 0 EBADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643478770 381328708 /nfs/dbraw/zinc/32/87/08/381328708.db2.gz DSSBXYLZOYUVMA-GOSISDBHSA-N 1 3 343.431 -0.058 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348019934 381311846 /nfs/dbraw/zinc/31/18/46/381311846.db2.gz QFCQYERTBNKAKZ-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348019934 381311848 /nfs/dbraw/zinc/31/18/48/381311848.db2.gz QFCQYERTBNKAKZ-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418863253 381313402 /nfs/dbraw/zinc/31/34/02/381313402.db2.gz BLVWQHCEGRIUAQ-ZNMIVQPWSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419028070 381357984 /nfs/dbraw/zinc/35/79/84/381357984.db2.gz PULNXKHSQZZYNB-LXTVHRRPSA-N 1 3 340.468 -0.426 20 0 EBADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419028070 381357988 /nfs/dbraw/zinc/35/79/88/381357988.db2.gz PULNXKHSQZZYNB-LXTVHRRPSA-N 1 3 340.468 -0.426 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419033200 381358030 /nfs/dbraw/zinc/35/80/30/381358030.db2.gz YDXOKIVXZNWOKA-HZSPNIEDSA-N 1 3 326.441 -0.591 20 0 EBADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419167599 381390807 /nfs/dbraw/zinc/39/08/07/381390807.db2.gz IZWYSYRFQUDFRG-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419167599 381390814 /nfs/dbraw/zinc/39/08/14/381390814.db2.gz IZWYSYRFQUDFRG-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419408883 381429548 /nfs/dbraw/zinc/42/95/48/381429548.db2.gz MIDMNMNPVKPPSA-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419415590 381430443 /nfs/dbraw/zinc/43/04/43/381430443.db2.gz VHKWAWBUAPVFHA-ZIAGYGMSSA-N 1 3 326.441 -0.589 20 0 EBADHO [NH3+]CCNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419415326 381430691 /nfs/dbraw/zinc/43/06/91/381430691.db2.gz HTZPVQXYWKPOBU-UHFFFAOYSA-N 1 3 347.463 -0.615 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419383312 381434570 /nfs/dbraw/zinc/43/45/70/381434570.db2.gz ZXQVDRVPIQTCQT-HNNXBMFYSA-N 1 3 330.432 -0.239 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419444555 381439010 /nfs/dbraw/zinc/43/90/10/381439010.db2.gz CYSZCFPUHQBEOM-UHFFFAOYSA-N 1 3 328.457 -0.151 20 0 EBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419700776 381475816 /nfs/dbraw/zinc/47/58/16/381475816.db2.gz SOQVHDABVLVONN-ILXRZTDVSA-N 1 3 340.468 -0.596 20 0 EBADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000419661722 381466818 /nfs/dbraw/zinc/46/68/18/381466818.db2.gz MYHQIYDPTRINFT-HNNXBMFYSA-N 1 3 348.447 -0.155 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417885228 381492394 /nfs/dbraw/zinc/49/23/94/381492394.db2.gz YAOIXASPUVOWDK-VNHYZAJKSA-N 1 3 337.468 -0.034 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420115572 381542018 /nfs/dbraw/zinc/54/20/18/381542018.db2.gz KJVZZBATMZDNJN-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157761 381550203 /nfs/dbraw/zinc/55/02/03/381550203.db2.gz GQOSPAKIJSMQKV-KGLIPLIRSA-N 1 3 340.468 -0.330 20 0 EBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420204852 381568276 /nfs/dbraw/zinc/56/82/76/381568276.db2.gz DCSIJMDOWWXFGV-LSDHHAIUSA-N 1 3 338.452 -0.432 20 0 EBADHO CN1CC[NH+](CC2(C)CCN(CCN3C(=O)CNC3=O)CC2)CC1 ZINC000332323814 381778031 /nfs/dbraw/zinc/77/80/31/381778031.db2.gz WTZCEDJXZZYYGR-UHFFFAOYSA-N 1 3 337.468 -0.112 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCO1 ZINC000643492788 381821418 /nfs/dbraw/zinc/82/14/18/381821418.db2.gz FZRGHYXAKPSEAL-RRFJBIMHSA-N 1 3 338.452 -0.352 20 0 EBADHO CCn1nccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000612823609 381868540 /nfs/dbraw/zinc/86/85/40/381868540.db2.gz IPEPNQGSVIGEPA-UHFFFAOYSA-N 1 3 338.456 -0.529 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCO1 ZINC000643500657 381908688 /nfs/dbraw/zinc/90/86/88/381908688.db2.gz SBJRCLFVOGKOEO-ZIAGYGMSSA-N 1 3 340.468 -0.106 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000643509655 381928446 /nfs/dbraw/zinc/92/84/46/381928446.db2.gz FGURADFZRWGPFA-INIZCTEOSA-N 1 3 327.473 -0.865 20 0 EBADHO CN(C)CCOCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418074005 382118353 /nfs/dbraw/zinc/11/83/53/382118353.db2.gz XFXGHQQIZDMEAP-AWEZNQCLSA-N 1 3 343.472 -0.406 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000237171445 154171845 /nfs/dbraw/zinc/17/18/45/154171845.db2.gz HRSBXKKULWTIGW-CQSZACIVSA-N 1 3 348.451 -0.111 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262459352 154232209 /nfs/dbraw/zinc/23/22/09/154232209.db2.gz VPTZWFLNGGSVFE-DLBZAZTESA-N 1 3 332.448 -0.227 20 0 EBADHO COC[C@@](C)(CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265664507 154324579 /nfs/dbraw/zinc/32/45/79/154324579.db2.gz FOMFBCOIIASFIM-XZGPXKHZSA-N 1 3 340.468 -0.141 20 0 EBADHO COC[C@@](C)(CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265664507 154324582 /nfs/dbraw/zinc/32/45/82/154324582.db2.gz FOMFBCOIIASFIM-XZGPXKHZSA-N 1 3 340.468 -0.141 20 0 EBADHO CN(C)C1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000342129586 156009392 /nfs/dbraw/zinc/00/93/92/156009392.db2.gz NRTNQNFXFBABLJ-OAHLLOKOSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000342351514 156029206 /nfs/dbraw/zinc/02/92/06/156029206.db2.gz SBMGBCSXLBYMIZ-GFCCVEGCSA-N 1 3 339.488 -0.250 20 0 EBADHO COCC[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343022484 156088154 /nfs/dbraw/zinc/08/81/54/156088154.db2.gz HMSCOHORBWZJJP-UHFFFAOYSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCN1C[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)CC1=O ZINC000344419173 156224162 /nfs/dbraw/zinc/22/41/62/156224162.db2.gz NKSPNLXIZYMVNF-OAHLLOKOSA-N 1 3 339.484 -0.898 20 0 EBADHO C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000653125062 418991842 /nfs/dbraw/zinc/99/18/42/418991842.db2.gz ROYDTCBDURLAJQ-QGZVFWFLSA-N 1 3 348.495 -0.011 20 0 EBADHO CN1CCN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)CC1 ZINC000653148765 418995238 /nfs/dbraw/zinc/99/52/38/418995238.db2.gz KTYVQWWNHOOGOQ-WMZOPIPTSA-N 1 3 336.480 -0.292 20 0 EBADHO CNC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665760570 419009643 /nfs/dbraw/zinc/00/96/43/419009643.db2.gz KMNBBGHOJLUBBY-UONOGXRCSA-N 1 3 343.472 -0.585 20 0 EBADHO CNC(=O)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665760570 419009647 /nfs/dbraw/zinc/00/96/47/419009647.db2.gz KMNBBGHOJLUBBY-UONOGXRCSA-N 1 3 343.472 -0.585 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650909339 419089337 /nfs/dbraw/zinc/08/93/37/419089337.db2.gz STGJDUWBBQXHGP-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650909339 419089341 /nfs/dbraw/zinc/08/93/41/419089341.db2.gz STGJDUWBBQXHGP-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CNC[C@H]1CCCO1 ZINC000644124063 419104065 /nfs/dbraw/zinc/10/40/65/419104065.db2.gz OJABCXXLPUCGRP-ZIAGYGMSSA-N 1 3 326.441 -0.399 20 0 EBADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1CCCC[C@@H](N)C1=O ZINC000643775858 419053830 /nfs/dbraw/zinc/05/38/30/419053830.db2.gz DLMOKDJIJJFDMY-LSDHHAIUSA-N 1 3 340.468 -0.105 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cn1 ZINC000655448917 419054789 /nfs/dbraw/zinc/05/47/89/419054789.db2.gz ABMPNXOVVXNTDW-WMLDXEAASA-N 1 3 348.451 -0.111 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2CC)C[C@H]1C[NH3+] ZINC000652686900 419256447 /nfs/dbraw/zinc/25/64/47/419256447.db2.gz QDSBAVSQNIMCID-QLFBSQMISA-N 1 3 340.468 -0.201 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651855503 419225016 /nfs/dbraw/zinc/22/50/16/419225016.db2.gz ALKQZLLVBSBKRZ-AWEZNQCLSA-N 1 3 336.440 -0.064 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000520403094 419562718 /nfs/dbraw/zinc/56/27/18/419562718.db2.gz HJPZDUPTSHTIRZ-HNNXBMFYSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCO1 ZINC000332192216 419582059 /nfs/dbraw/zinc/58/20/59/419582059.db2.gz QSCUVMXXKQKKAC-XGUBFFRZSA-N 1 3 338.452 -0.639 20 0 EBADHO CC1(OCC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CNC1 ZINC000648105584 419642295 /nfs/dbraw/zinc/64/22/95/419642295.db2.gz LLGIHRFRHHMMCE-KBPBESRZSA-N 1 3 338.452 -0.528 20 0 EBADHO CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000645625045 419774201 /nfs/dbraw/zinc/77/42/01/419774201.db2.gz VGOAVBJEMUWKLU-JSGCOSHPSA-N 1 3 334.424 -0.454 20 0 EBADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419880151 419813103 /nfs/dbraw/zinc/81/31/03/419813103.db2.gz UHFWHDYAPQOAGG-CQSZACIVSA-N 1 3 339.484 -0.661 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419921958 419820322 /nfs/dbraw/zinc/82/03/22/419820322.db2.gz YSEHKCZDIAKTCB-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419949030 419829707 /nfs/dbraw/zinc/82/97/07/419829707.db2.gz KSMNYAOTTMYVJJ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](CN)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420016064 419831458 /nfs/dbraw/zinc/83/14/58/419831458.db2.gz RRIBFJRNMTUREJ-KFWWJZLASA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@H](CN)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420016064 419831464 /nfs/dbraw/zinc/83/14/64/419831464.db2.gz RRIBFJRNMTUREJ-KFWWJZLASA-N 1 3 339.484 -0.533 20 0 EBADHO CN(C)CCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732039 419797770 /nfs/dbraw/zinc/79/77/70/419797770.db2.gz DLIDBYCFMAEYCU-UHFFFAOYSA-N 1 3 340.468 -0.057 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423265062 419929403 /nfs/dbraw/zinc/92/94/03/419929403.db2.gz QPYPMHWHSAWHDO-KGLIPLIRSA-N 1 3 326.441 -0.767 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423262229 419925009 /nfs/dbraw/zinc/92/50/09/419925009.db2.gz MBDOEAGDCBLNPS-UONOGXRCSA-N 1 3 328.457 -0.391 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423219707 419925042 /nfs/dbraw/zinc/92/50/42/419925042.db2.gz XDEQBDYUXVILNR-ZNMIVQPWSA-N 1 3 338.452 -0.767 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645959184 420529794 /nfs/dbraw/zinc/52/97/94/420529794.db2.gz FAEPIFVSIOSDGM-KBPBESRZSA-N 1 3 326.441 -0.936 20 0 EBADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000646667625 420682927 /nfs/dbraw/zinc/68/29/27/420682927.db2.gz YKJYSUSOVUYPNT-AHIWAGSCSA-N 1 3 340.468 -0.168 20 0 EBADHO CCS(=O)(=O)NCCCN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178931480 420689977 /nfs/dbraw/zinc/68/99/77/420689977.db2.gz YECHDDBXFBLNKE-UHFFFAOYSA-N 1 3 348.513 -0.294 20 0 EBADHO CN(C)CCN1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000654664834 420834601 /nfs/dbraw/zinc/83/46/01/420834601.db2.gz XVIWCMDBVQROJD-OKILXGFUSA-N 1 3 325.457 -0.258 20 0 EBADHO COCC1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1 ZINC000655967469 420860964 /nfs/dbraw/zinc/86/09/64/420860964.db2.gz WMYUQDJWSKSZQO-UONOGXRCSA-N 1 3 326.441 -0.537 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000658779803 420977315 /nfs/dbraw/zinc/97/73/15/420977315.db2.gz SCPXYQXGUBNAGJ-CYBMUJFWSA-N 1 3 336.440 -0.016 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659438427 421000219 /nfs/dbraw/zinc/00/02/19/421000219.db2.gz WXEOOSCKUQPLGQ-UHFFFAOYSA-N 1 3 326.401 -0.592 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659438427 421000224 /nfs/dbraw/zinc/00/02/24/421000224.db2.gz WXEOOSCKUQPLGQ-UHFFFAOYSA-N 1 3 326.401 -0.592 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659506820 421001349 /nfs/dbraw/zinc/00/13/49/421001349.db2.gz WRDOIKJRANUBFB-MRXNPFEDSA-N 1 3 339.484 -0.166 20 0 EBADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659690410 421015413 /nfs/dbraw/zinc/01/54/13/421015413.db2.gz UIECVJHLOABJBY-ZIAGYGMSSA-N 1 3 343.447 -0.974 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659725350 421022676 /nfs/dbraw/zinc/02/26/76/421022676.db2.gz ZSAYKFMLJDXINN-SNPRPXQTSA-N 1 3 338.452 -0.530 20 0 EBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659724432 421022934 /nfs/dbraw/zinc/02/29/34/421022934.db2.gz VYONYLPNIVFNCE-LSDHHAIUSA-N 1 3 340.468 -0.010 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662933271 421113087 /nfs/dbraw/zinc/11/30/87/421113087.db2.gz PRMUOBHEMJHLRV-UHFFFAOYSA-N 1 3 327.473 -0.722 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1nnnn1C ZINC000664571491 421158859 /nfs/dbraw/zinc/15/88/59/421158859.db2.gz HZZUMIBHISXBAP-LBPRGKRZSA-N 1 3 326.449 -0.676 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1nnnn1C ZINC000664571491 421158862 /nfs/dbraw/zinc/15/88/62/421158862.db2.gz HZZUMIBHISXBAP-LBPRGKRZSA-N 1 3 326.449 -0.676 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000626901045 421192989 /nfs/dbraw/zinc/19/29/89/421192989.db2.gz KBOBENUFEZXNDN-CALCHBBNSA-N 1 3 348.451 -0.159 20 0 EBADHO CNC(=O)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000640335797 421217977 /nfs/dbraw/zinc/21/79/77/421217977.db2.gz CQIWGYKKFUJRTQ-UHFFFAOYSA-N 1 3 337.428 -0.207 20 0 EBADHO C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)n2)CC1 ZINC000580147178 421203911 /nfs/dbraw/zinc/20/39/11/421203911.db2.gz HAMPFAJCQBNNAP-HNNXBMFYSA-N 1 3 332.452 0.478 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337641 421209912 /nfs/dbraw/zinc/20/99/12/421209912.db2.gz QGZHRJVLHNJRGH-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337641 421209915 /nfs/dbraw/zinc/20/99/15/421209915.db2.gz QGZHRJVLHNJRGH-KBPBESRZSA-N 1 3 325.457 -0.068 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)N(CCN)CCO)CCCCCC1 ZINC000418907832 264839756 /nfs/dbraw/zinc/83/97/56/264839756.db2.gz YIWUBOUYTZRVNP-UHFFFAOYSA-N 1 3 328.457 -0.463 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1CN ZINC000419785606 264889176 /nfs/dbraw/zinc/88/91/76/264889176.db2.gz SPJUOOXVLMJTNP-RDBSUJKOSA-N 1 3 328.457 -0.202 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420048999 264917095 /nfs/dbraw/zinc/91/70/95/264917095.db2.gz XXLKQDYTWWKVGG-OLZOCXBDSA-N 1 3 344.456 -0.748 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423649566 265026808 /nfs/dbraw/zinc/02/68/08/265026808.db2.gz PQRWOWULTSHLOS-CYBMUJFWSA-N 1 3 347.419 -0.312 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1=O ZINC000424230264 265051748 /nfs/dbraw/zinc/05/17/48/265051748.db2.gz ZSPXBBHRKIAVGX-AEGPPILISA-N 1 3 348.451 -0.917 20 0 EBADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000430956337 265159218 /nfs/dbraw/zinc/15/92/18/265159218.db2.gz OGPDTRPIWAHZRA-CQSZACIVSA-N 1 3 339.484 -0.722 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000419975861 272816740 /nfs/dbraw/zinc/81/67/40/272816740.db2.gz LGWPLLMYVJRKDX-ZDUSSCGKSA-N 1 3 349.435 -0.290 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000665764237 545696714 /nfs/dbraw/zinc/69/67/14/545696714.db2.gz YWORGIPAZHKJEF-KKUMJFAQSA-N 1 3 330.473 -0.357 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000665764237 545696716 /nfs/dbraw/zinc/69/67/16/545696716.db2.gz YWORGIPAZHKJEF-KKUMJFAQSA-N 1 3 330.473 -0.357 20 0 EBADHO CC1(C)CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC[NH2+]1 ZINC000669486502 545879319 /nfs/dbraw/zinc/87/93/19/545879319.db2.gz RXUKTGQBCUBQOS-OAHLLOKOSA-N 1 3 339.484 -0.214 20 0 EBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000669491329 545881725 /nfs/dbraw/zinc/88/17/25/545881725.db2.gz VOEDIBGZEXCFLH-LSDHHAIUSA-N 1 3 337.468 -0.033 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1)C[NH+]1CCN(C)CC1 ZINC000671172513 545915528 /nfs/dbraw/zinc/91/55/28/545915528.db2.gz ZLMPIGJMMVFROA-CABCVRRESA-N 1 3 339.484 -0.804 20 0 EBADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CN(C)CCO1 ZINC000152364049 545934917 /nfs/dbraw/zinc/93/49/17/545934917.db2.gz KFQJIHXQTIYOBI-HUUCEWRRSA-N 1 3 329.489 -0.160 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000152708819 545939625 /nfs/dbraw/zinc/93/96/25/545939625.db2.gz IKTGGPNMOUESER-AWEZNQCLSA-N 1 3 348.451 -0.016 20 0 EBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666975526 546047278 /nfs/dbraw/zinc/04/72/78/546047278.db2.gz QYNORQCLWBDBTC-GOEBONIOSA-N 1 3 328.457 -0.149 20 0 EBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891825 546239408 /nfs/dbraw/zinc/23/94/08/546239408.db2.gz SJHHQMWSSLTRGO-SJORKVTESA-N 1 3 335.496 -0.385 20 0 EBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C1 ZINC000677891825 546239415 /nfs/dbraw/zinc/23/94/15/546239415.db2.gz SJHHQMWSSLTRGO-SJORKVTESA-N 1 3 335.496 -0.385 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174277 546366378 /nfs/dbraw/zinc/36/63/78/546366378.db2.gz GKJWDOQSNTUNJD-YOEHRIQHSA-N 1 3 340.468 -0.688 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891480356 582557042 /nfs/dbraw/zinc/55/70/42/582557042.db2.gz BCHSFSBGNTUDJS-MJBXVCDLSA-N 1 3 325.457 -0.034 20 0 EBADHO Nc1cc[nH+]c(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000891567064 582558554 /nfs/dbraw/zinc/55/85/54/582558554.db2.gz VDUUVSVKONPNLN-OAHLLOKOSA-N 1 3 348.451 -0.131 20 0 EBADHO CN1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](CN)C1 ZINC000892754519 582586681 /nfs/dbraw/zinc/58/66/81/582586681.db2.gz ARIVTBBLKVVOBW-ZIAGYGMSSA-N 1 3 325.457 -0.571 20 0 EBADHO CC(C)[NH+]1CCN(CCC(=O)NCCN2CCN(C)CC2)CC1 ZINC000900043843 582760253 /nfs/dbraw/zinc/76/02/53/582760253.db2.gz VPQZZKZVQGODRY-UHFFFAOYSA-N 1 3 325.501 -0.234 20 0 EBADHO C[C@H](CNC(=O)c1cnc(C(=O)NC[C@@H](C)[NH+](C)C)cn1)N(C)C ZINC000900164298 582763249 /nfs/dbraw/zinc/76/32/49/582763249.db2.gz YWVZOPBJDSZXKB-VXGBXAGGSA-N 1 3 336.440 -0.164 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000900693480 582779435 /nfs/dbraw/zinc/77/94/35/582779435.db2.gz UFVSNXFZRRKKQE-NVXWUHKLSA-N 1 3 326.485 -0.074 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000900693480 582779438 /nfs/dbraw/zinc/77/94/38/582779438.db2.gz UFVSNXFZRRKKQE-NVXWUHKLSA-N 1 3 326.485 -0.074 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000900693480 582779442 /nfs/dbraw/zinc/77/94/42/582779442.db2.gz UFVSNXFZRRKKQE-NVXWUHKLSA-N 1 3 326.485 -0.074 20 0 EBADHO CN1CCC[C@](O)(CC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000900956780 582787314 /nfs/dbraw/zinc/78/73/14/582787314.db2.gz ZDASNZKDRQKXPG-KRWDZBQOSA-N 1 3 326.485 -0.025 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C)Cc1cnn(C)c1)C2 ZINC000903493890 582809547 /nfs/dbraw/zinc/80/95/47/582809547.db2.gz ZLVUTVJMIPRYOY-VBQJREDUSA-N 1 3 349.435 -0.409 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903731445 582814713 /nfs/dbraw/zinc/81/47/13/582814713.db2.gz GLNWWLAJLCHSFC-KBPBESRZSA-N 1 3 340.468 -0.249 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000775036479 583394205 /nfs/dbraw/zinc/39/42/05/583394205.db2.gz UOEGSOUWQSEDQS-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000807776581 583663210 /nfs/dbraw/zinc/66/32/10/583663210.db2.gz DSIKDEKNIHCDFJ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000807776581 583663211 /nfs/dbraw/zinc/66/32/11/583663211.db2.gz DSIKDEKNIHCDFJ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000829715551 583957768 /nfs/dbraw/zinc/95/77/68/583957768.db2.gz OMCZRLWHCNBSAA-ZDUSSCGKSA-N 1 3 332.452 -0.093 20 0 EBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000829715551 583957769 /nfs/dbraw/zinc/95/77/69/583957769.db2.gz OMCZRLWHCNBSAA-ZDUSSCGKSA-N 1 3 332.452 -0.093 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CCCCC1 ZINC000842016027 584056337 /nfs/dbraw/zinc/05/63/37/584056337.db2.gz QSSZRAWDGWWZJA-ZIAGYGMSSA-N 1 3 325.457 -0.922 20 0 EBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842163908 584058709 /nfs/dbraw/zinc/05/87/09/584058709.db2.gz ASVYMTSIBUYBFU-QLFBSQMISA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181495 584090285 /nfs/dbraw/zinc/09/02/85/584090285.db2.gz SHZFORZLUOBEGY-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C[C@H]1C[NH3+] ZINC000846335901 584124923 /nfs/dbraw/zinc/12/49/23/584124923.db2.gz SQBISUNNABSUSI-RRFJBIMHSA-N 1 3 340.468 -0.201 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000851684938 584198255 /nfs/dbraw/zinc/19/82/55/584198255.db2.gz NLJXLHMAZJCKGK-JSGCOSHPSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)[C@H](C[NH3+])C1 ZINC000851684874 584198273 /nfs/dbraw/zinc/19/82/73/584198273.db2.gz MJLDXHASGWPSLC-KBXIAJHMSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000861732216 584335917 /nfs/dbraw/zinc/33/59/17/584335917.db2.gz KKULBKNTMHJKQX-XJKSGUPXSA-N 1 3 348.447 -0.325 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000861750129 584337238 /nfs/dbraw/zinc/33/72/38/584337238.db2.gz NPFIQSKQNDMYSG-CQSZACIVSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816216 584407489 /nfs/dbraw/zinc/40/74/89/584407489.db2.gz KPVCHTHLXIVEJH-UPJWGTAASA-N 1 3 346.453 -0.865 20 0 EBADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998832 584450811 /nfs/dbraw/zinc/45/08/11/584450811.db2.gz HIVNYFBVXLBNPZ-QXSJWSMHSA-N 1 3 344.415 -0.050 20 0 EBADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998830 584450870 /nfs/dbraw/zinc/45/08/70/584450870.db2.gz HIVNYFBVXLBNPZ-JONQDZQNSA-N 1 3 344.415 -0.050 20 0 EBADHO CN1CCC(C[NH2+]C[C@@H](O)CC(C)(C)O)(N2CCOCC2)CC1 ZINC000872209455 584460534 /nfs/dbraw/zinc/46/05/34/584460534.db2.gz KYHYXZNHZASUNL-HNNXBMFYSA-N 1 3 329.485 -0.106 20 0 EBADHO C[C@H](CNC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000875420795 584498838 /nfs/dbraw/zinc/49/88/38/584498838.db2.gz DUSBNEUUULZLLH-MGPQQGTHSA-N 1 3 348.513 -0.200 20 0 EBADHO COC[C@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CNCCO1 ZINC000877199589 584529866 /nfs/dbraw/zinc/52/98/66/584529866.db2.gz WVINFJFFPMRZPD-INIZCTEOSA-N 1 3 335.408 -0.565 20 0 EBADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000884560128 584627194 /nfs/dbraw/zinc/62/71/94/584627194.db2.gz NZUKSEVICJLQIW-RBSFLKMASA-N 1 3 338.452 -0.304 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)Cc2ccccc2C1 ZINC000884567027 584627649 /nfs/dbraw/zinc/62/76/49/584627649.db2.gz ZTDSALSBAJKGHD-HOTGVXAUSA-N 1 3 342.443 -0.226 20 0 EBADHO CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000884560520 584627686 /nfs/dbraw/zinc/62/76/86/584627686.db2.gz ZMCLOJZXMFQZIW-CABCVRRESA-N 1 3 340.468 -0.057 20 0 EBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCCN(C)CCOC ZINC000884637676 584630540 /nfs/dbraw/zinc/63/05/40/584630540.db2.gz XDXALMTUCGKIBL-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631275 584630613 /nfs/dbraw/zinc/63/06/13/584630613.db2.gz FHAATJZJOFKLMC-STQMWFEESA-N 1 3 344.406 -0.052 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884637650 584630622 /nfs/dbraw/zinc/63/06/22/584630622.db2.gz WJDXSGNIQVWYDR-AWEZNQCLSA-N 1 3 342.484 -0.035 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884662656 584632415 /nfs/dbraw/zinc/63/24/15/584632415.db2.gz VTWJQPJAMVFQIR-MRXNPFEDSA-N 1 3 348.447 -0.489 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884669765 584632582 /nfs/dbraw/zinc/63/25/82/584632582.db2.gz GFNMAIXNSDWKQE-RBSFLKMASA-N 1 3 339.484 -0.676 20 0 EBADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884725338 584636348 /nfs/dbraw/zinc/63/63/48/584636348.db2.gz FVWDTYLJQYNESI-AWEZNQCLSA-N 1 3 338.452 -0.432 20 0 EBADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884725339 584636457 /nfs/dbraw/zinc/63/64/57/584636457.db2.gz FVWDTYLJQYNESI-CQSZACIVSA-N 1 3 338.452 -0.432 20 0 EBADHO CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CCC1(C)C ZINC000884724260 584636472 /nfs/dbraw/zinc/63/64/72/584636472.db2.gz OBRPGQLNUTVOBJ-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000887091873 584676380 /nfs/dbraw/zinc/67/63/80/584676380.db2.gz ZLORDGRFSOGXJO-DZGCQCFKSA-N 1 3 347.419 -0.695 20 0 EBADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCNCCNCC2)CCCC1 ZINC000910949107 650141626 /nfs/dbraw/zinc/14/16/26/650141626.db2.gz HLQUESXTAWPFHC-UHFFFAOYSA-N 1 3 339.484 -0.754 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000910972865 650142570 /nfs/dbraw/zinc/14/25/70/650142570.db2.gz RYGHCXLHQQXGFO-FVQBIDKESA-N 1 3 332.448 0.000 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000910999284 650144623 /nfs/dbraw/zinc/14/46/23/650144623.db2.gz JPANZPMGRRMGRH-ZIAGYGMSSA-N 1 3 340.468 -0.425 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911003020 650144816 /nfs/dbraw/zinc/14/48/16/650144816.db2.gz FZUWKDYENYATSK-ZDUSSCGKSA-N 1 3 326.441 -0.672 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC000911097876 650151175 /nfs/dbraw/zinc/15/11/75/650151175.db2.gz WGBLUYRLMYVRQA-CYBMUJFWSA-N 1 3 339.484 -0.757 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148819 650154164 /nfs/dbraw/zinc/15/41/64/650154164.db2.gz RBOFPPBQQWTMCI-TUVASFSCSA-N 1 3 338.452 -0.591 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000911161491 650155381 /nfs/dbraw/zinc/15/53/81/650155381.db2.gz KTXQOLMWBWBXGX-UHFFFAOYSA-N 1 3 340.468 -0.199 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCSC1 ZINC000911198535 650158980 /nfs/dbraw/zinc/15/89/80/650158980.db2.gz HALQREFAGWUJCI-XHDPSFHLSA-N 1 3 328.482 -0.264 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCSC1 ZINC000911201499 650158996 /nfs/dbraw/zinc/15/89/96/650158996.db2.gz XEICPFJMRWZXKK-DOMZBBRYSA-N 1 3 328.482 -0.263 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911206432 650159440 /nfs/dbraw/zinc/15/94/40/650159440.db2.gz FKZWYKDQZHRVDP-HNNXBMFYSA-N 1 3 339.484 -0.484 20 0 EBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000911335879 650171631 /nfs/dbraw/zinc/17/16/31/650171631.db2.gz BZOPRLDBMAOPIA-UONOGXRCSA-N 1 3 338.452 -0.530 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911518708 650189703 /nfs/dbraw/zinc/18/97/03/650189703.db2.gz AOXSMQUGPLMQNI-CQSZACIVSA-N 1 3 339.484 -0.804 20 0 EBADHO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000923281868 650337584 /nfs/dbraw/zinc/33/75/84/650337584.db2.gz IFPGRJRXSMLKEC-JKSUJKDBSA-N 1 3 342.484 -0.931 20 0 EBADHO COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000923281868 650337586 /nfs/dbraw/zinc/33/75/86/650337586.db2.gz IFPGRJRXSMLKEC-JKSUJKDBSA-N 1 3 342.484 -0.931 20 0 EBADHO COC(=O)CCN1CC[C@H](N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923447684 650341217 /nfs/dbraw/zinc/34/12/17/650341217.db2.gz VZNWOCQOYFICIU-KBPBESRZSA-N 1 3 339.436 -0.020 20 0 EBADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCNCCNCC2)cc1 ZINC000923691580 650353472 /nfs/dbraw/zinc/35/34/72/650353472.db2.gz IBLGISTVFMPVHL-UHFFFAOYSA-N 1 3 326.466 -0.068 20 0 EBADHO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000926334360 650386530 /nfs/dbraw/zinc/38/65/30/650386530.db2.gz TZOLLPVRKCRRIK-RHSMWYFYSA-N 1 3 338.452 -0.615 20 0 EBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926381874 650390167 /nfs/dbraw/zinc/39/01/67/650390167.db2.gz YHXPXDUMBCUIDE-XJKSGUPXSA-N 1 3 326.441 -0.760 20 0 EBADHO Cc1cccc(NCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000930149327 651587077 /nfs/dbraw/zinc/58/70/77/651587077.db2.gz NVQOLBBERYSZLM-CQSZACIVSA-N 1 3 348.451 -0.720 20 0 EBADHO Cc1cccc(NCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000930149327 651587080 /nfs/dbraw/zinc/58/70/80/651587080.db2.gz NVQOLBBERYSZLM-CQSZACIVSA-N 1 3 348.451 -0.720 20 0 EBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931878514 651650787 /nfs/dbraw/zinc/65/07/87/651650787.db2.gz DFTZWJLBIPZXRS-OAHLLOKOSA-N 1 3 339.484 -0.709 20 0 EBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931878514 651650788 /nfs/dbraw/zinc/65/07/88/651650788.db2.gz DFTZWJLBIPZXRS-OAHLLOKOSA-N 1 3 339.484 -0.709 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C[NH+](C)C ZINC000932469226 651682938 /nfs/dbraw/zinc/68/29/38/651682938.db2.gz NADSQMHNGRXWFO-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000946924702 653270640 /nfs/dbraw/zinc/27/06/40/653270640.db2.gz JGVWEFGVNPIMOU-ZIAGYGMSSA-N 1 3 340.468 -0.452 20 0 EBADHO CN1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946925786 653272258 /nfs/dbraw/zinc/27/22/58/653272258.db2.gz UIUBYDZXGXNKRJ-KGLIPLIRSA-N 1 3 338.452 -0.698 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000955443704 720177135 /nfs/dbraw/zinc/17/71/35/720177135.db2.gz YUIYZRVKFMHFEG-OAHLLOKOSA-N 1 3 331.420 -0.037 20 0 EBADHO COCCN1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171530 722318130 /nfs/dbraw/zinc/31/81/30/722318130.db2.gz KDQWAISMHBJAAH-HUUCEWRRSA-N 1 3 325.453 -0.082 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCn3cccn3)C[C@H]2O)CC1 ZINC000958375440 722354477 /nfs/dbraw/zinc/35/44/77/722354477.db2.gz UEXRQIOQMJJZFL-HZPDHXFCSA-N 1 3 335.452 -0.366 20 0 EBADHO Cn1nccc1CCN1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592199 722397431 /nfs/dbraw/zinc/39/74/31/722397431.db2.gz MSPSYSBAUNLGIG-GOEBONIOSA-N 1 3 347.463 -0.533 20 0 EBADHO Cn1cc(CCN2C[C@H](O)[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592958 722397732 /nfs/dbraw/zinc/39/77/32/722397732.db2.gz ZBWYPMNNTVDMPO-CVEARBPZSA-N 1 3 347.463 -0.533 20 0 EBADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958895558 722643647 /nfs/dbraw/zinc/64/36/47/722643647.db2.gz HPSUXGUMCGGMID-QEJZJMRPSA-N 1 3 349.435 -0.676 20 0 EBADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958895558 722643648 /nfs/dbraw/zinc/64/36/48/722643648.db2.gz HPSUXGUMCGGMID-QEJZJMRPSA-N 1 3 349.435 -0.676 20 0 EBADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CCC1 ZINC001018971697 728758679 /nfs/dbraw/zinc/75/86/79/728758679.db2.gz OMRHEOHZXFEJKG-AWEZNQCLSA-N 1 3 338.452 -0.480 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001019034736 728777149 /nfs/dbraw/zinc/77/71/49/728777149.db2.gz MVXRIIXNGMDCML-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001019032296 728777293 /nfs/dbraw/zinc/77/72/93/728777293.db2.gz PBOYCCSNUMTIBW-MELADBBJSA-N 1 3 331.482 -0.048 20 0 EBADHO CC(C)(C(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001019231288 728831761 /nfs/dbraw/zinc/83/17/61/728831761.db2.gz WFRLDZJTPKWBFN-STQMWFEESA-N 1 3 336.436 -0.144 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590029 728932736 /nfs/dbraw/zinc/93/27/36/728932736.db2.gz KUHKZNUKRZTVKI-HIFRSBDPSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590029 728932740 /nfs/dbraw/zinc/93/27/40/728932740.db2.gz KUHKZNUKRZTVKI-HIFRSBDPSA-N 1 3 349.435 -0.362 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000970717190 725320259 /nfs/dbraw/zinc/32/02/59/725320259.db2.gz KQYYKWIOKOWWSA-UONOGXRCSA-N 1 3 329.466 -0.293 20 0 EBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC000970745070 725323281 /nfs/dbraw/zinc/32/32/81/725323281.db2.gz IAOJDDLNARZDHP-ZBFHGGJFSA-N 1 3 347.463 -0.224 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000991618424 725488258 /nfs/dbraw/zinc/48/82/58/725488258.db2.gz MLBSCGSICCFYER-UONOGXRCSA-N 1 3 347.419 -0.874 20 0 EBADHO CN(CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654318 735295534 /nfs/dbraw/zinc/29/55/34/735295534.db2.gz LEHLFLFAKIVIOG-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000976533471 726337519 /nfs/dbraw/zinc/33/75/19/726337519.db2.gz QTNJTFLCSSDYHK-UTXMOHQDSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000976533471 726337521 /nfs/dbraw/zinc/33/75/21/726337521.db2.gz QTNJTFLCSSDYHK-UTXMOHQDSA-N 1 3 334.464 -0.005 20 0 EBADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000976770136 726413192 /nfs/dbraw/zinc/41/31/92/726413192.db2.gz UCMDGDSIVCKNAX-XUWVNRHRSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)C1CC1 ZINC000996676734 726421899 /nfs/dbraw/zinc/42/18/99/726421899.db2.gz HSWQWSPOIBMOKK-OAHLLOKOSA-N 1 3 337.468 -0.068 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996998558 726434399 /nfs/dbraw/zinc/43/43/99/726434399.db2.gz KPBPDGGCQONTBG-OCCSQVGLSA-N 1 3 336.436 -0.144 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998723889 726495973 /nfs/dbraw/zinc/49/59/73/726495973.db2.gz SMAKOOAHVPTCRL-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC000999181767 726510148 /nfs/dbraw/zinc/51/01/48/726510148.db2.gz MKBSYBRMCZDVRW-KBPBESRZSA-N 1 3 348.451 -0.473 20 0 EBADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352944 726515627 /nfs/dbraw/zinc/51/56/27/726515627.db2.gz LHENCBFNZYAQGQ-DZGCQCFKSA-N 1 3 338.452 -0.304 20 0 EBADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999352944 726515628 /nfs/dbraw/zinc/51/56/28/726515628.db2.gz LHENCBFNZYAQGQ-DZGCQCFKSA-N 1 3 338.452 -0.304 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001000217599 726559924 /nfs/dbraw/zinc/55/99/24/726559924.db2.gz IBVSONOVBYNMEQ-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000570904 726571318 /nfs/dbraw/zinc/57/13/18/726571318.db2.gz HLPGXDNCLPJCIG-DZGCQCFKSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002086066 726632016 /nfs/dbraw/zinc/63/20/16/726632016.db2.gz ZAJLOWGMCUAGIE-HNNXBMFYSA-N 1 3 331.420 -0.131 20 0 EBADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001003334515 726670154 /nfs/dbraw/zinc/67/01/54/726670154.db2.gz WPWHSAUZBICRKJ-HNNXBMFYSA-N 1 3 334.464 -0.003 20 0 EBADHO CN1CC[C@H](NC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)C1=O ZINC001051902981 735455503 /nfs/dbraw/zinc/45/55/03/735455503.db2.gz NTTCDKLDXQQSAY-KBPBESRZSA-N 1 3 336.436 -0.870 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178650 729091578 /nfs/dbraw/zinc/09/15/78/729091578.db2.gz ANKXNJKCSYTYBO-BHPKHCPMSA-N 1 3 334.424 -0.585 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178650 729091581 /nfs/dbraw/zinc/09/15/81/729091581.db2.gz ANKXNJKCSYTYBO-BHPKHCPMSA-N 1 3 334.424 -0.585 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001020178677 729092288 /nfs/dbraw/zinc/09/22/88/729092288.db2.gz AYIUDVDCPDKZQY-KLHDSHLOSA-N 1 3 333.436 -0.017 20 0 EBADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020407284 729160469 /nfs/dbraw/zinc/16/04/69/729160469.db2.gz XJUSIPHQMPTLFO-OCEHDEDJSA-N 1 3 336.436 -0.650 20 0 EBADHO O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406282 729160715 /nfs/dbraw/zinc/16/07/15/729160715.db2.gz OZQRNBJXCHWRGH-QAEIGLEVSA-N 1 3 348.447 -0.635 20 0 EBADHO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1=O ZINC001020406999 729160806 /nfs/dbraw/zinc/16/08/06/729160806.db2.gz JWDXNMGKUCEBCH-QAEIGLEVSA-N 1 3 348.447 -0.683 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001020508168 729189022 /nfs/dbraw/zinc/18/90/22/729189022.db2.gz MSYXQIPFFASQDO-YDHLFZDLSA-N 1 3 336.440 -0.339 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020590156 729206112 /nfs/dbraw/zinc/20/61/12/729206112.db2.gz NKXHJTIPVSJWGQ-MGPQQGTHSA-N 1 3 336.436 -0.286 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001020980474 729261314 /nfs/dbraw/zinc/26/13/14/729261314.db2.gz JUOGVYKWPTVASL-JHJVBQTASA-N 1 3 340.449 -0.068 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001021704928 729333136 /nfs/dbraw/zinc/33/31/36/729333136.db2.gz XFOHYUXWOOYZTI-KCQAQPDRSA-N 1 3 331.420 -0.037 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC001021704928 729333137 /nfs/dbraw/zinc/33/31/37/729333137.db2.gz XFOHYUXWOOYZTI-KCQAQPDRSA-N 1 3 331.420 -0.037 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001022713937 729524429 /nfs/dbraw/zinc/52/44/29/729524429.db2.gz NKXHJTIPVSJWGQ-MCIONIFRSA-N 1 3 336.436 -0.286 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022712628 729524477 /nfs/dbraw/zinc/52/44/77/729524477.db2.gz VVVBKWTZNINKHH-MCIONIFRSA-N 1 3 336.436 -0.144 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001023783201 729797527 /nfs/dbraw/zinc/79/75/27/729797527.db2.gz FNJPENABKNMLRJ-MGPQQGTHSA-N 1 3 338.452 -0.890 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001023783201 729797528 /nfs/dbraw/zinc/79/75/28/729797528.db2.gz FNJPENABKNMLRJ-MGPQQGTHSA-N 1 3 338.452 -0.890 20 0 EBADHO COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908379 730104902 /nfs/dbraw/zinc/10/49/02/730104902.db2.gz DSPMHCLWVUFWKO-DGLYNPCGSA-N 1 3 335.448 -0.069 20 0 EBADHO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908379 730104904 /nfs/dbraw/zinc/10/49/04/730104904.db2.gz DSPMHCLWVUFWKO-DGLYNPCGSA-N 1 3 335.448 -0.069 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908441 730104972 /nfs/dbraw/zinc/10/49/72/730104972.db2.gz NHSPPDPQITXHFU-YQDSAWSOSA-N 1 3 347.459 -0.068 20 0 EBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908441 730104974 /nfs/dbraw/zinc/10/49/74/730104974.db2.gz NHSPPDPQITXHFU-YQDSAWSOSA-N 1 3 347.459 -0.068 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043517 730117445 /nfs/dbraw/zinc/11/74/45/730117445.db2.gz IALGXZFMVAZNFQ-KDEOKCCVSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043517 730117448 /nfs/dbraw/zinc/11/74/48/730117448.db2.gz IALGXZFMVAZNFQ-KDEOKCCVSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043626 730117557 /nfs/dbraw/zinc/11/75/57/730117557.db2.gz VHHSFRDEOWHRDU-VBTGVMJWSA-N 1 3 334.420 -0.820 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043626 730117559 /nfs/dbraw/zinc/11/75/59/730117559.db2.gz VHHSFRDEOWHRDU-VBTGVMJWSA-N 1 3 334.420 -0.820 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001026885053 730166946 /nfs/dbraw/zinc/16/69/46/730166946.db2.gz FKGXXXIYARJCGY-STQMWFEESA-N 1 3 336.436 -0.286 20 0 EBADHO O=C(NCC1CN(C[C@H](O)Cn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001031811745 730772906 /nfs/dbraw/zinc/77/29/06/730772906.db2.gz AAYWWQYOFYSTRJ-INIZCTEOSA-N 1 3 347.463 -0.080 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001034567731 731143252 /nfs/dbraw/zinc/14/32/52/731143252.db2.gz SBPWXINUCFCBGX-JSGCOSHPSA-N 1 3 347.419 -0.024 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(CC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034573948 731144525 /nfs/dbraw/zinc/14/45/25/731144525.db2.gz SXKCAOHMXYPNNF-AWEZNQCLSA-N 1 3 347.419 -0.024 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760895 731524795 /nfs/dbraw/zinc/52/47/95/731524795.db2.gz VFKUZNJHWINELI-WMLDXEAASA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760895 731524798 /nfs/dbraw/zinc/52/47/98/731524798.db2.gz VFKUZNJHWINELI-WMLDXEAASA-N 1 3 340.468 -0.641 20 0 EBADHO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001040199471 731640903 /nfs/dbraw/zinc/64/09/03/731640903.db2.gz WQKJPTXGQQVZGH-PBHICJAKSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001040199471 731640906 /nfs/dbraw/zinc/64/09/06/731640906.db2.gz WQKJPTXGQQVZGH-PBHICJAKSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001040360298 731713148 /nfs/dbraw/zinc/71/31/48/731713148.db2.gz WQKJPTXGQQVZGH-YOEHRIQHSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001040360298 731713150 /nfs/dbraw/zinc/71/31/50/731713150.db2.gz WQKJPTXGQQVZGH-YOEHRIQHSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040451259 731739823 /nfs/dbraw/zinc/73/98/23/731739823.db2.gz SXFGMWOITGRKGK-INIZCTEOSA-N 1 3 328.457 -0.641 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001040718474 731845929 /nfs/dbraw/zinc/84/59/29/731845929.db2.gz LILJMHMSEQHDTM-YOEHRIQHSA-N 1 3 342.484 -0.252 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043159869 732795837 /nfs/dbraw/zinc/79/58/37/732795837.db2.gz KNTKBHKHQNCJSB-ZIAGYGMSSA-N 1 3 340.468 -0.785 20 0 EBADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043159869 732795838 /nfs/dbraw/zinc/79/58/38/732795838.db2.gz KNTKBHKHQNCJSB-ZIAGYGMSSA-N 1 3 340.468 -0.785 20 0 EBADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043417206 732924786 /nfs/dbraw/zinc/92/47/86/732924786.db2.gz WJURXLACMSLBDN-OKILXGFUSA-N 1 3 340.468 -0.500 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001043431969 732936297 /nfs/dbraw/zinc/93/62/97/732936297.db2.gz WCIVDCONFSPIMA-UHFFFAOYSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043454966 732949215 /nfs/dbraw/zinc/94/92/15/732949215.db2.gz KRYUVPAVLGXGKV-CYBMUJFWSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001043454966 732949217 /nfs/dbraw/zinc/94/92/17/732949217.db2.gz KRYUVPAVLGXGKV-CYBMUJFWSA-N 1 3 338.452 -0.888 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043613310 733024112 /nfs/dbraw/zinc/02/41/12/733024112.db2.gz QMWYLKMDBCJCSE-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001043613310 733024116 /nfs/dbraw/zinc/02/41/16/733024116.db2.gz QMWYLKMDBCJCSE-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001044391289 733412225 /nfs/dbraw/zinc/41/22/25/733412225.db2.gz OUSLZZCJLBEGJT-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061745166 738735639 /nfs/dbraw/zinc/73/56/39/738735639.db2.gz UDMNENOYDAYGRR-CYBMUJFWSA-N 1 3 337.424 -0.444 20 0 EBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391931 733684540 /nfs/dbraw/zinc/68/45/40/733684540.db2.gz LRWHLFCKPGZFKG-UHFFFAOYSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717115 733759290 /nfs/dbraw/zinc/75/92/90/733759290.db2.gz USMZNHXIOIGCKZ-ZIAGYGMSSA-N 1 3 340.468 -0.500 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862401 738791373 /nfs/dbraw/zinc/79/13/73/738791373.db2.gz SRCSMPQJDMBIGW-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863791 734544013 /nfs/dbraw/zinc/54/40/13/734544013.db2.gz LFTGILVQHPNHIK-QKPAOTATSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863791 734544014 /nfs/dbraw/zinc/54/40/14/734544014.db2.gz LFTGILVQHPNHIK-QKPAOTATSA-N 1 3 334.464 -0.005 20 0 EBADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049131144 734657655 /nfs/dbraw/zinc/65/76/55/734657655.db2.gz GBRGMUMSMMQBOJ-OWCLPIDISA-N 1 3 334.464 -0.003 20 0 EBADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049131144 734657658 /nfs/dbraw/zinc/65/76/58/734657658.db2.gz GBRGMUMSMMQBOJ-OWCLPIDISA-N 1 3 334.464 -0.003 20 0 EBADHO CN(CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001049428226 734727102 /nfs/dbraw/zinc/72/71/02/734727102.db2.gz HAIUFHHHRXMCSB-GJZGRUSLSA-N 1 3 340.468 -0.548 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435400 734729252 /nfs/dbraw/zinc/72/92/52/734729252.db2.gz LUSJUGPDMLRBGA-KBPBESRZSA-N 1 3 328.457 -0.692 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435709 734729750 /nfs/dbraw/zinc/72/97/50/734729750.db2.gz RLEAPCUCGKLRHG-KBPBESRZSA-N 1 3 342.484 -0.302 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049609965 734765172 /nfs/dbraw/zinc/76/51/72/734765172.db2.gz ILCQBXIBUAPBDU-BFKWJSRZSA-N 1 3 335.448 -0.093 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049609965 734765174 /nfs/dbraw/zinc/76/51/74/734765174.db2.gz ILCQBXIBUAPBDU-BFKWJSRZSA-N 1 3 335.448 -0.093 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001050234494 734876089 /nfs/dbraw/zinc/87/60/89/734876089.db2.gz HGUGZBMPXJCAPR-KBPBESRZSA-N 1 3 336.436 -0.284 20 0 EBADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001050389439 734896902 /nfs/dbraw/zinc/89/69/02/734896902.db2.gz FLVMRRPLGNYJFV-IHRRRGAJSA-N 1 3 335.456 -0.074 20 0 EBADHO Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001050389439 734896906 /nfs/dbraw/zinc/89/69/06/734896906.db2.gz FLVMRRPLGNYJFV-IHRRRGAJSA-N 1 3 335.456 -0.074 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001051348720 735132709 /nfs/dbraw/zinc/13/27/09/735132709.db2.gz JJBWFIWFQAOFJX-HZSPNIEDSA-N 1 3 336.436 -0.144 20 0 EBADHO CN(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057636618 737377171 /nfs/dbraw/zinc/37/71/71/737377171.db2.gz VLQVKZPPILVLJA-HUUCEWRRSA-N 1 3 340.468 -0.785 20 0 EBADHO CN(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001057636618 737377172 /nfs/dbraw/zinc/37/71/72/737377172.db2.gz VLQVKZPPILVLJA-HUUCEWRRSA-N 1 3 340.468 -0.785 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CN(CC)CC ZINC001057658825 737396004 /nfs/dbraw/zinc/39/60/04/737396004.db2.gz DANKPVKXCCFDOE-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CN(CC)CC ZINC001057658825 737396007 /nfs/dbraw/zinc/39/60/07/737396007.db2.gz DANKPVKXCCFDOE-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001057659421 737396568 /nfs/dbraw/zinc/39/65/68/737396568.db2.gz OYLHUHKKPUKKSB-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001057659421 737396573 /nfs/dbraw/zinc/39/65/73/737396573.db2.gz OYLHUHKKPUKKSB-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057864063 737484948 /nfs/dbraw/zinc/48/49/48/737484948.db2.gz ARVVAKHUTWUVNP-CQSZACIVSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057864063 737484951 /nfs/dbraw/zinc/48/49/51/737484951.db2.gz ARVVAKHUTWUVNP-CQSZACIVSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001057864358 737485957 /nfs/dbraw/zinc/48/59/57/737485957.db2.gz NZFNUKBAJLQKRJ-INIZCTEOSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057942830 737547069 /nfs/dbraw/zinc/54/70/69/737547069.db2.gz WPQHAHLOTWYZAC-UHFFFAOYSA-N 1 3 330.473 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001058168323 737689432 /nfs/dbraw/zinc/68/94/32/737689432.db2.gz ABGQDLWEXNKCRI-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](CC)N(C)C ZINC001058168681 737690639 /nfs/dbraw/zinc/69/06/39/737690639.db2.gz PTRFTYWEBIOAKY-HNNXBMFYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](CC)N(C)C ZINC001058168681 737690641 /nfs/dbraw/zinc/69/06/41/737690641.db2.gz PTRFTYWEBIOAKY-HNNXBMFYSA-N 1 3 344.500 -0.004 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)N(C)C ZINC001058250798 737733881 /nfs/dbraw/zinc/73/38/81/737733881.db2.gz IWDPTRLIEDKNFK-MRXNPFEDSA-N 1 3 344.500 -0.149 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)N(C)C ZINC001058250798 737733883 /nfs/dbraw/zinc/73/38/83/737733883.db2.gz IWDPTRLIEDKNFK-MRXNPFEDSA-N 1 3 344.500 -0.149 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610560 737921314 /nfs/dbraw/zinc/92/13/14/737921314.db2.gz LQGZIYYZFQVIAM-UHFFFAOYSA-N 1 3 339.440 -0.460 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709460 737960428 /nfs/dbraw/zinc/96/04/28/737960428.db2.gz VZFUKKXQNAKXMJ-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709459 737960588 /nfs/dbraw/zinc/96/05/88/737960588.db2.gz VZFUKKXQNAKXMJ-HNNXBMFYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CN1CCC[C@H]1C ZINC001058844066 738022829 /nfs/dbraw/zinc/02/28/29/738022829.db2.gz SBKPVGBHZUASDI-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CN1CCC[C@H]1C ZINC001058844066 738022833 /nfs/dbraw/zinc/02/28/33/738022833.db2.gz SBKPVGBHZUASDI-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CN(C)[C@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001065260097 739617568 /nfs/dbraw/zinc/61/75/68/739617568.db2.gz IAWFKNNNHTZYCZ-HOCLYGCPSA-N 1 3 340.468 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065409693 739693784 /nfs/dbraw/zinc/69/37/84/739693784.db2.gz MWIBWNQTKYFXRG-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065571918 739768295 /nfs/dbraw/zinc/76/82/95/739768295.db2.gz FGGNWVARWRGKBE-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065622982 739811182 /nfs/dbraw/zinc/81/11/82/739811182.db2.gz YHWGLXPMIOJXSU-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)N(C)CC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068454013 740330446 /nfs/dbraw/zinc/33/04/46/740330446.db2.gz HQJRJCWCKGTRGV-UHFFFAOYSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070689774 740920833 /nfs/dbraw/zinc/92/08/33/740920833.db2.gz OQXFPQAQIDZGOM-RBSFLKMASA-N 1 3 335.452 -0.362 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001073425758 741611522 /nfs/dbraw/zinc/61/15/22/741611522.db2.gz GTYJOFIGXRVISY-CQSZACIVSA-N 1 3 335.452 -0.502 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)C1 ZINC001073425758 741611526 /nfs/dbraw/zinc/61/15/26/741611526.db2.gz GTYJOFIGXRVISY-CQSZACIVSA-N 1 3 335.452 -0.502 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN([C@@H](C)C(N)=O)C2 ZINC001073433589 741612914 /nfs/dbraw/zinc/61/29/14/741612914.db2.gz FEGVSDHNODPYJO-KBPBESRZSA-N 1 3 338.452 -0.637 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074565078 742000066 /nfs/dbraw/zinc/00/00/66/742000066.db2.gz RMDUUZIYCISZHU-MELADBBJSA-N 1 3 336.436 -0.191 20 0 EBADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001074656121 742048931 /nfs/dbraw/zinc/04/89/31/742048931.db2.gz WNKADNJSVPOPHT-IHRRRGAJSA-N 1 3 348.451 -0.474 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C)N(C)C ZINC001074709516 742081926 /nfs/dbraw/zinc/08/19/26/742081926.db2.gz FXMSSWSXDZNOKD-RWMBFGLXSA-N 1 3 339.440 -0.543 20 0 EBADHO O=C(N1CC[C@H]2CN(CCn3cncn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469162 742477404 /nfs/dbraw/zinc/47/74/04/742477404.db2.gz UALCKNZKEAZEAL-LSDHHAIUSA-N 1 3 330.436 -0.093 20 0 EBADHO C[C@@H](CCNC(=O)[C@H](C1CC1)N(C)C)NC(=O)COCC[NH+](C)C ZINC001076956013 742662272 /nfs/dbraw/zinc/66/22/72/742662272.db2.gz CXQOGPWVXBCYJE-BBRMVZONSA-N 1 3 342.484 -0.084 20 0 EBADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001077661623 743149799 /nfs/dbraw/zinc/14/97/99/743149799.db2.gz AMFRSLBWCVZITR-AWEZNQCLSA-N 1 3 330.473 -0.083 20 0 EBADHO CN(C)c1ccncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC000985039853 807430545 /nfs/dbraw/zinc/43/05/45/807430545.db2.gz IUWITVVLLIXMDH-HAQNSBGRSA-N 1 3 344.423 -0.031 20 0 EBADHO C[N@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985792009 807584124 /nfs/dbraw/zinc/58/41/24/807584124.db2.gz LVNDHRKKPXDDDA-CQSZACIVSA-N 1 3 336.436 -0.190 20 0 EBADHO C[N@@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985792009 807584126 /nfs/dbraw/zinc/58/41/26/807584126.db2.gz LVNDHRKKPXDDDA-CQSZACIVSA-N 1 3 336.436 -0.190 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989665432 808552158 /nfs/dbraw/zinc/55/21/58/808552158.db2.gz FDACTEYRAXJTRG-JKSUJKDBSA-N 1 3 335.452 -0.270 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989665432 808552163 /nfs/dbraw/zinc/55/21/63/808552163.db2.gz FDACTEYRAXJTRG-JKSUJKDBSA-N 1 3 335.452 -0.270 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000990278395 808720044 /nfs/dbraw/zinc/72/00/44/808720044.db2.gz RHORCIBTCFRDSV-OAHLLOKOSA-N 1 3 338.452 -0.480 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002086294 809686026 /nfs/dbraw/zinc/68/60/26/809686026.db2.gz GSXJOTXRCQCHSH-HOTGVXAUSA-N 1 3 334.464 -0.003 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214343826 810240387 /nfs/dbraw/zinc/24/03/87/810240387.db2.gz HMHUPLHMMBNOBF-UPJWGTAASA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214855336 810286545 /nfs/dbraw/zinc/28/65/45/810286545.db2.gz CPPUBNUNUCUVQH-MRVWCRGKSA-N 1 3 346.497 -0.688 20 0 EBADHO COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458902 810331528 /nfs/dbraw/zinc/33/15/28/810331528.db2.gz PERGEXJLVZMZFX-RBSFLKMASA-N 1 3 342.484 -0.084 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540982 810334709 /nfs/dbraw/zinc/33/47/09/810334709.db2.gz TXSQWAXRJVIRSH-YNEHKIRRSA-N 1 3 339.440 -0.780 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215680646 810339790 /nfs/dbraw/zinc/33/97/90/810339790.db2.gz HGPJWOWXDWRFIK-DGCLKSJQSA-N 1 3 328.438 -0.177 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215994110 810353725 /nfs/dbraw/zinc/35/37/25/810353725.db2.gz QOIXCTJPFQUGNH-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001216001997 810354627 /nfs/dbraw/zinc/35/46/27/810354627.db2.gz NSLILPJANSCAEP-JHJVBQTASA-N 1 3 341.456 -0.391 20 0 EBADHO CNC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090824 810358368 /nfs/dbraw/zinc/35/83/68/810358368.db2.gz PCLAIMTTZFULOZ-TZMCWYRMSA-N 1 3 326.441 -0.720 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NCC1CC1 ZINC001216401938 810371158 /nfs/dbraw/zinc/37/11/58/810371158.db2.gz QSCOCKZKLUUBHN-UKRRQHHQSA-N 1 3 340.468 -0.473 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754535 810385645 /nfs/dbraw/zinc/38/56/45/810385645.db2.gz ZRFKBDXEXVSALY-JHJVBQTASA-N 1 3 339.440 -0.780 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754535 810385652 /nfs/dbraw/zinc/38/56/52/810385652.db2.gz ZRFKBDXEXVSALY-JHJVBQTASA-N 1 3 339.440 -0.780 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001216854417 810395852 /nfs/dbraw/zinc/39/58/52/810395852.db2.gz YKYFWZBGZPKAGU-IJLUTSLNSA-N 1 3 327.429 -0.654 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216851903 810395876 /nfs/dbraw/zinc/39/58/76/810395876.db2.gz KYEHOSUTAIXHAD-CHWSQXEVSA-N 1 3 339.440 -0.685 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001218141857 810479248 /nfs/dbraw/zinc/47/92/48/810479248.db2.gz OPTOSJOJAWCUOH-BBBLOLIVSA-N 1 3 336.392 -0.110 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2C[NH2+][C@@H]1C2 ZINC001218490705 810494140 /nfs/dbraw/zinc/49/41/40/810494140.db2.gz WZEJWTKHCNHNLO-IVZWLZJFSA-N 1 3 336.392 -0.110 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218511853 810496952 /nfs/dbraw/zinc/49/69/52/810496952.db2.gz YMWQOIKKRZNGBF-ZDUSSCGKSA-N 1 3 335.408 -0.051 20 0 EBADHO Cc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc(N2CCOCC2)n1 ZINC001218621514 810512301 /nfs/dbraw/zinc/51/23/01/810512301.db2.gz WACHOQBXCZLNLS-CXAGYDPISA-N 1 3 346.435 -0.241 20 0 EBADHO CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1nccnc1N ZINC001218623412 810512457 /nfs/dbraw/zinc/51/24/57/810512457.db2.gz LNVFWHYMGROMBF-RYUDHWBXSA-N 1 3 349.439 -0.531 20 0 EBADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1COC2(CNC2)CN1 ZINC001218726593 810524416 /nfs/dbraw/zinc/52/44/16/810524416.db2.gz MTJXEFCTGKSIRR-OLZOCXBDSA-N 1 3 333.392 -0.909 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001015599455 810536066 /nfs/dbraw/zinc/53/60/66/810536066.db2.gz OAUDCGUSEFVXLY-CABCVRRESA-N 1 3 336.440 -0.422 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001015599455 810536071 /nfs/dbraw/zinc/53/60/71/810536071.db2.gz OAUDCGUSEFVXLY-CABCVRRESA-N 1 3 336.440 -0.422 20 0 EBADHO COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218883931 810540008 /nfs/dbraw/zinc/54/00/08/810540008.db2.gz ZKCAXAYLFHURHQ-JTQLQIEISA-N 1 3 335.360 -0.065 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218916078 810543817 /nfs/dbraw/zinc/54/38/17/810543817.db2.gz ZUTJCEFXCXSNHU-LBPRGKRZSA-N 1 3 343.453 -0.086 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218973749 810551500 /nfs/dbraw/zinc/55/15/00/810551500.db2.gz MOIBPWWXZAAGPL-GWCFXTLKSA-N 1 3 347.419 -0.330 20 0 EBADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1COC2(CNC2)CN1 ZINC001219117199 810587394 /nfs/dbraw/zinc/58/73/94/810587394.db2.gz YYMUZRRJKTWULM-OAHLLOKOSA-N 1 3 331.420 -0.635 20 0 EBADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1COC2(CNC2)CN1 ZINC001219117198 810587863 /nfs/dbraw/zinc/58/78/63/810587863.db2.gz YYMUZRRJKTWULM-HNNXBMFYSA-N 1 3 331.420 -0.635 20 0 EBADHO O=C(N[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000439 810648836 /nfs/dbraw/zinc/64/88/36/810648836.db2.gz BMJNKAAVDAHVHH-HUUCEWRRSA-N 1 3 333.436 -0.470 20 0 EBADHO COc1cc2c(cc1NC(=O)[C@H](CN)OC)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504182 810726820 /nfs/dbraw/zinc/72/68/20/810726820.db2.gz QNJYQKJKNMGMPA-BBRMVZONSA-N 1 3 334.376 -0.209 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)COC1(C)C ZINC001219650695 810786435 /nfs/dbraw/zinc/78/64/35/810786435.db2.gz PSCNVTFXVPPOMI-VOAKCMCISA-N 1 3 326.441 -0.341 20 0 EBADHO CS(=O)(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nc1 ZINC001219716580 810806908 /nfs/dbraw/zinc/80/69/08/810806908.db2.gz TVINPZUBNHNYKR-IAQYHMDHSA-N 1 3 338.433 -0.700 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743954 810820914 /nfs/dbraw/zinc/82/09/14/810820914.db2.gz PWWFMGSKVWHPNT-YDHLFZDLSA-N 1 3 340.468 -0.107 20 0 EBADHO COCCn1c2c(ccc1=O)C[C@@H](NC(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001219898850 810899480 /nfs/dbraw/zinc/89/94/80/810899480.db2.gz PHEXMVZIJAMRJM-KBPBESRZSA-N 1 3 336.436 -0.466 20 0 EBADHO CCOC(=O)C(=CNC(=O)[C@@H](N)CSCC[NH3+])C(=O)OCC ZINC001220043313 810958286 /nfs/dbraw/zinc/95/82/86/810958286.db2.gz NLDUVAMHXYGXCG-JTQLQIEISA-N 1 3 333.410 -0.868 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191644 811011052 /nfs/dbraw/zinc/01/10/52/811011052.db2.gz MPVROHGESMTGOI-CRWXNKLISA-N 1 3 326.441 -0.679 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)COC1(C)C ZINC001220254010 811035828 /nfs/dbraw/zinc/03/58/28/811035828.db2.gz JBDODOLTHQJUTC-XQQFMLRXSA-N 1 3 326.441 -0.102 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[C@H]2CCC[N@H+]2C)COC1(C)C ZINC001220254010 811035833 /nfs/dbraw/zinc/03/58/33/811035833.db2.gz JBDODOLTHQJUTC-XQQFMLRXSA-N 1 3 326.441 -0.102 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220307234 811050545 /nfs/dbraw/zinc/05/05/45/811050545.db2.gz VSCPPISRSSPHTQ-ZFWWWQNUSA-N 1 3 327.473 -0.770 20 0 EBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220307234 811050555 /nfs/dbraw/zinc/05/05/55/811050555.db2.gz VSCPPISRSSPHTQ-ZFWWWQNUSA-N 1 3 327.473 -0.770 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315236 811052585 /nfs/dbraw/zinc/05/25/85/811052585.db2.gz AWJNVSWJABVUSV-WSMBLCCSSA-N 1 3 340.468 -0.108 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1(O)CCC1 ZINC001220383520 811083202 /nfs/dbraw/zinc/08/32/02/811083202.db2.gz AGEVWNSIEMMHEZ-STQMWFEESA-N 1 3 326.441 -0.535 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CNCc3ccnn3C2)CC[NH2+]C1 ZINC001220521227 811136571 /nfs/dbraw/zinc/13/65/71/811136571.db2.gz AOQSHFWPGYTQGE-NSHDSACASA-N 1 3 333.392 -0.471 20 0 EBADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001220583623 811165373 /nfs/dbraw/zinc/16/53/73/811165373.db2.gz RLIARZVBHOFHIK-RYUDHWBXSA-N 1 3 330.429 -0.785 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220649149 811187881 /nfs/dbraw/zinc/18/78/81/811187881.db2.gz SVAULOHQSYYEMQ-AWEZNQCLSA-N 1 3 334.420 -0.007 20 0 EBADHO O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@H]1C[NH2+]CC12CNC2 ZINC001220736999 811224870 /nfs/dbraw/zinc/22/48/70/811224870.db2.gz YWYZZYKDSKOQCY-HZPDHXFCSA-N 1 3 330.432 -0.183 20 0 EBADHO C[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC(C)(C)CC[NH3+] ZINC001220765944 811233309 /nfs/dbraw/zinc/23/33/09/811233309.db2.gz IECSUHAWLLNQPT-WOPDTQHZSA-N 1 3 343.472 -0.789 20 0 EBADHO O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1COC2(CNC2)CN1 ZINC001220791403 811243540 /nfs/dbraw/zinc/24/35/40/811243540.db2.gz XRDOJZCVLUEQTP-ZNMIVQPWSA-N 1 3 331.420 -0.821 20 0 EBADHO O=C(CNC(=O)[C@@H]1C[NH2+]CCN1)N1CCN(C2CCCCC2)CC1 ZINC001220900146 811287668 /nfs/dbraw/zinc/28/76/68/811287668.db2.gz BRBARXINDABXRI-HNNXBMFYSA-N 1 3 337.468 -0.859 20 0 EBADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001221357308 811445820 /nfs/dbraw/zinc/44/58/20/811445820.db2.gz HCFLSPQLTFXBPB-STQMWFEESA-N 1 3 332.514 -0.131 20 0 EBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221393145 811449021 /nfs/dbraw/zinc/44/90/21/811449021.db2.gz XOHUYUVTISLMTR-WHEQGISXSA-N 1 3 326.466 -0.349 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)COC1(C)C ZINC001221412785 811452900 /nfs/dbraw/zinc/45/29/00/811452900.db2.gz GEUKANLQDWYJFF-LEWSCRJBSA-N 1 3 338.452 -0.199 20 0 EBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221789163 811536169 /nfs/dbraw/zinc/53/61/69/811536169.db2.gz IJTOKXVFFUQOAN-OWCLPIDISA-N 1 3 335.452 -0.272 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228603770 811990628 /nfs/dbraw/zinc/99/06/28/811990628.db2.gz UVCDHQSJFKSGDJ-YNEHKIRRSA-N 1 3 339.440 -0.460 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229860500 812060055 /nfs/dbraw/zinc/06/00/55/812060055.db2.gz VCCAIIHQDWPUIO-VXGBXAGGSA-N 1 3 327.429 -0.460 20 0 EBADHO CN1CCN(c2ccc(CN3CCNC[C@]34CC[NH2+]C4)cn2)CC1 ZINC001234986527 812457752 /nfs/dbraw/zinc/45/77/52/812457752.db2.gz DPLYKKMZOYNZES-GOSISDBHSA-N 1 3 330.480 -0.029 20 0 EBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@@H](N4CC([NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236074504 812516328 /nfs/dbraw/zinc/51/63/28/812516328.db2.gz ZBUWHGWCFLSGGO-SEBNEYGDSA-N 1 3 327.425 -0.669 20 0 EBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001246009069 812559876 /nfs/dbraw/zinc/55/98/76/812559876.db2.gz SLBCORYKFJUCSR-HOCLYGCPSA-N 1 3 339.436 -0.466 20 0 EBADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1C[C@H]2CNC[C@@H](C1)O2 ZINC001246033228 812560621 /nfs/dbraw/zinc/56/06/21/812560621.db2.gz IGGJXYKVRYXUTN-XUWVNRHRSA-N 1 3 327.375 -0.132 20 0 EBADHO CCOC(=O)[C@@H]1CNCCN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246603933 812576841 /nfs/dbraw/zinc/57/68/41/812576841.db2.gz MKJCCWXBBMGZFP-FTGKKSIPSA-N 1 3 339.436 -0.105 20 0 EBADHO CC[C@]1(C(=O)OC)C[C@H]([NH+]2CCC([C@H](N)C(=O)OC)CC2)CN1 ZINC001246866216 812591954 /nfs/dbraw/zinc/59/19/54/812591954.db2.gz AMHHMJKBXSQMJK-HEHGZKQESA-N 1 3 327.425 -0.118 20 0 EBADHO O=C([C@@H]1C[C@@H](N2CC[C@@]3(C2)CNCCO3)C[NH2+]1)N1CCSC1 ZINC001246985870 812594540 /nfs/dbraw/zinc/59/45/40/812594540.db2.gz JEKWKJILMUUAGC-IPYPFGDCSA-N 1 3 326.466 -0.686 20 0 EBADHO O=C([C@@H]1C[C@H](N2CC[C@]3(C2)CNCCO3)C[NH2+]1)N1CCSC1 ZINC001246985993 812594589 /nfs/dbraw/zinc/59/45/89/812594589.db2.gz JEKWKJILMUUAGC-KCQAQPDRSA-N 1 3 326.466 -0.686 20 0 EBADHO CN1CC[NH+](C2CCN(C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC001251015590 812614025 /nfs/dbraw/zinc/61/40/25/812614025.db2.gz MDFCZTBVDNEDFU-QGZVFWFLSA-N 1 3 326.485 -0.609 20 0 EBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@H](C[NH3+])C(=O)OC ZINC001257920064 812774254 /nfs/dbraw/zinc/77/42/54/812774254.db2.gz RXZPMTOGEXMBGO-QWRGUYRKSA-N 1 3 338.426 -0.920 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081505251 813092752 /nfs/dbraw/zinc/09/27/52/813092752.db2.gz CZQZGFIESXBFBY-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC001262547900 813094279 /nfs/dbraw/zinc/09/42/79/813094279.db2.gz GKOREDCOPGJRIX-NFAWXSAZSA-N 1 3 338.452 -0.591 20 0 EBADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001263113214 813108120 /nfs/dbraw/zinc/10/81/20/813108120.db2.gz BUYJHWJSTYALER-GXTWGEPZSA-N 1 3 329.441 -0.406 20 0 EBADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001263113216 813108333 /nfs/dbraw/zinc/10/83/33/813108333.db2.gz BUYJHWJSTYALER-OCCSQVGLSA-N 1 3 329.441 -0.406 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001081634317 813334793 /nfs/dbraw/zinc/33/47/93/813334793.db2.gz GAWFSCLQELLFEU-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001081634317 813334801 /nfs/dbraw/zinc/33/48/01/813334801.db2.gz GAWFSCLQELLFEU-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081634851 813337636 /nfs/dbraw/zinc/33/76/36/813337636.db2.gz NFBXJLPXQMEFIV-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703650 813442597 /nfs/dbraw/zinc/44/25/97/813442597.db2.gz SUYNDWHYRXFHDF-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731934 813485840 /nfs/dbraw/zinc/48/58/40/813485840.db2.gz AKQYGRFVZKXDEP-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001081774821 813542515 /nfs/dbraw/zinc/54/25/15/813542515.db2.gz UIUWUQNDZAJSQG-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001081774821 813542521 /nfs/dbraw/zinc/54/25/21/813542521.db2.gz UIUWUQNDZAJSQG-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001266793622 813671750 /nfs/dbraw/zinc/67/17/50/813671750.db2.gz RGZXFGXIXJJWEJ-ZIAGYGMSSA-N 1 3 348.513 -0.296 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001266876650 813689852 /nfs/dbraw/zinc/68/98/52/813689852.db2.gz CZIDQDGFMGFZKR-ZDUSSCGKSA-N 1 3 348.407 -0.525 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O ZINC001266880809 813690745 /nfs/dbraw/zinc/69/07/45/813690745.db2.gz OTLKGYZXIHKZAO-CYBMUJFWSA-N 1 3 341.456 -0.116 20 0 EBADHO CN(CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001267011857 813733366 /nfs/dbraw/zinc/73/33/66/813733366.db2.gz JWEGKPFYJOJPKJ-LBPRGKRZSA-N 1 3 332.470 -0.790 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267280378 813819226 /nfs/dbraw/zinc/81/92/26/813819226.db2.gz ADDXGKMEILETTA-HOTGVXAUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267280378 813819233 /nfs/dbraw/zinc/81/92/33/813819233.db2.gz ADDXGKMEILETTA-HOTGVXAUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001082589927 813974187 /nfs/dbraw/zinc/97/41/87/813974187.db2.gz UFUGVTWPKDFLER-MGPQQGTHSA-N 1 3 338.452 -0.088 20 0 EBADHO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268080556 814119364 /nfs/dbraw/zinc/11/93/64/814119364.db2.gz YFLRNDWUGKNRLC-CHWSQXEVSA-N 1 3 334.486 -0.592 20 0 EBADHO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1)N1CCCCCC1 ZINC001268323830 814202283 /nfs/dbraw/zinc/20/22/83/814202283.db2.gz KOOPTEUTZFBYLP-GJZGRUSLSA-N 1 3 338.456 -0.391 20 0 EBADHO C[NH+]1CCC(C(=O)NC/C=C\CNCCNS(C)(=O)=O)CC1 ZINC001268586625 814306100 /nfs/dbraw/zinc/30/61/00/814306100.db2.gz FGKPBMMZJAAOFA-ARJAWSKDSA-N 1 3 332.470 -0.861 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268591261 814308156 /nfs/dbraw/zinc/30/81/56/814308156.db2.gz PQCLILOSDOLUCF-VSQXVHSFSA-N 1 3 325.413 -0.954 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268591261 814308165 /nfs/dbraw/zinc/30/81/65/814308165.db2.gz PQCLILOSDOLUCF-VSQXVHSFSA-N 1 3 325.413 -0.954 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCCN1C(=O)CNC1=O ZINC001268713115 814360992 /nfs/dbraw/zinc/36/09/92/814360992.db2.gz MCQOQNKEHYVWGW-JTQLQIEISA-N 1 3 336.396 -0.703 20 0 EBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001268711820 814361563 /nfs/dbraw/zinc/36/15/63/814361563.db2.gz WJKGFLJTDBEHHD-RYUDHWBXSA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001268920909 814443075 /nfs/dbraw/zinc/44/30/75/814443075.db2.gz YWAVDSIVECCJAY-JSGCOSHPSA-N 1 3 326.441 -0.184 20 0 EBADHO CN(C)CCN1CC2(CN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001269173188 814565155 /nfs/dbraw/zinc/56/51/55/814565155.db2.gz RVAPMIXIKZGKNW-AWEZNQCLSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1CC2(CN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001269173188 814565158 /nfs/dbraw/zinc/56/51/58/814565158.db2.gz RVAPMIXIKZGKNW-AWEZNQCLSA-N 1 3 338.452 -0.670 20 0 EBADHO C[C@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)N1CCCC1 ZINC001269248902 814594629 /nfs/dbraw/zinc/59/46/29/814594629.db2.gz USAXACOELFGSBE-CQSZACIVSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084992923 816008026 /nfs/dbraw/zinc/00/80/26/816008026.db2.gz ZXXQHMMIIAJKLN-OWQJAQGESA-N 1 3 335.448 -0.235 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084992923 816008030 /nfs/dbraw/zinc/00/80/30/816008030.db2.gz ZXXQHMMIIAJKLN-OWQJAQGESA-N 1 3 335.448 -0.235 20 0 EBADHO O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086153215 816249893 /nfs/dbraw/zinc/24/98/93/816249893.db2.gz YTCDLSGPKLKELD-OASYKEQNSA-N 1 3 348.447 -0.778 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272196863 816347995 /nfs/dbraw/zinc/34/79/95/816347995.db2.gz PYNQRXODJXGGHD-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)C(=O)CNCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001272196863 816348004 /nfs/dbraw/zinc/34/80/04/816348004.db2.gz PYNQRXODJXGGHD-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO COC(=O)CCCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272498461 816447132 /nfs/dbraw/zinc/44/71/32/816447132.db2.gz NAXJRCUPQURBBO-INIZCTEOSA-N 1 3 327.425 -0.196 20 0 EBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087088252 816460430 /nfs/dbraw/zinc/46/04/30/816460430.db2.gz PVLCVGITKKSGOA-BPLDGKMQSA-N 1 3 349.435 -0.364 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001272566474 816477499 /nfs/dbraw/zinc/47/74/99/816477499.db2.gz XMTSFXIAXUTODZ-OLZOCXBDSA-N 1 3 341.456 -0.390 20 0 EBADHO C[NH+](C)CCN1C[C@]2(CCN(CCN3CCOCC3)C2)OCC1=O ZINC001272662012 816501994 /nfs/dbraw/zinc/50/19/94/816501994.db2.gz UMORICFZFPTQPD-QGZVFWFLSA-N 1 3 340.468 -0.817 20 0 EBADHO C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001273018299 816567382 /nfs/dbraw/zinc/56/73/82/816567382.db2.gz ISAQLYCHYHHIRA-ZIAGYGMSSA-N 1 3 338.452 -0.038 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273351251 816651894 /nfs/dbraw/zinc/65/18/94/816651894.db2.gz NPGFQMQAHHBZSU-CQSZACIVSA-N 1 3 341.456 -0.830 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC1 ZINC001088406817 816677969 /nfs/dbraw/zinc/67/79/69/816677969.db2.gz FXCFCQUHJOPPDX-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001089038121 816787946 /nfs/dbraw/zinc/78/79/46/816787946.db2.gz FDAZOSSWSLSWSZ-OLZOCXBDSA-N 1 3 337.424 -0.787 20 0 EBADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001089038121 816787952 /nfs/dbraw/zinc/78/79/52/816787952.db2.gz FDAZOSSWSLSWSZ-OLZOCXBDSA-N 1 3 337.424 -0.787 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001274076493 816861734 /nfs/dbraw/zinc/86/17/34/816861734.db2.gz PSTVGDDQJYMFIZ-LSMGEYOZSA-N 1 3 336.436 -0.072 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001274076493 816861742 /nfs/dbraw/zinc/86/17/42/816861742.db2.gz PSTVGDDQJYMFIZ-LSMGEYOZSA-N 1 3 336.436 -0.072 20 0 EBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274209180 816895276 /nfs/dbraw/zinc/89/52/76/816895276.db2.gz YPFFKBPBVBCCNC-JSGCOSHPSA-N 1 3 346.497 -0.544 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)CCO1 ZINC001275916099 817313869 /nfs/dbraw/zinc/31/38/69/817313869.db2.gz UNJQZCWNJBYPGD-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277916520 817655859 /nfs/dbraw/zinc/65/58/59/817655859.db2.gz KMXBYUYVHWUNPC-CHWSQXEVSA-N 1 3 337.424 -0.787 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001278300100 817738721 /nfs/dbraw/zinc/73/87/21/817738721.db2.gz FMSRHNMROQAXJN-SWLSCSKDSA-N 1 3 337.424 -0.316 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691089 817795491 /nfs/dbraw/zinc/79/54/91/817795491.db2.gz XBVJMUZPAJDEMD-QWHCGFSZSA-N 1 3 338.452 -0.042 20 0 EBADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCOCCO)C2)CCC1 ZINC001278787974 817831777 /nfs/dbraw/zinc/83/17/77/817831777.db2.gz YOXCUTRMJYMNKO-HNNXBMFYSA-N 1 3 329.441 -0.967 20 0 EBADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCOCCO)C2)CCC1 ZINC001278787974 817831786 /nfs/dbraw/zinc/83/17/86/817831786.db2.gz YOXCUTRMJYMNKO-HNNXBMFYSA-N 1 3 329.441 -0.967 20 0 EBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001279315391 817916095 /nfs/dbraw/zinc/91/60/95/817916095.db2.gz HSXJXAQRSULVAP-WXRRBKDZSA-N 1 3 339.440 -0.543 20 0 EBADHO Cn1cc(CC[NH2+]CC2(O)CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC001281603404 818231500 /nfs/dbraw/zinc/23/15/00/818231500.db2.gz MJCSSNAGQNFQRG-INIZCTEOSA-N 1 3 349.479 0.000 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[C@H]1C[C@H]([NH2+]CCN1CCNC1=O)C2 ZINC001095007874 818546913 /nfs/dbraw/zinc/54/69/13/818546913.db2.gz WITQPNMLDMSVRA-GUTXKFCHSA-N 1 3 346.435 -0.054 20 0 EBADHO C[C@@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004981 819060530 /nfs/dbraw/zinc/06/05/30/819060530.db2.gz UUSXRUBWQOYKHE-OLZOCXBDSA-N 1 3 334.486 -0.544 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)CCOCC[NH2+][C@H]1CCNC1=O ZINC001284878794 819387616 /nfs/dbraw/zinc/38/76/16/819387616.db2.gz VGUSKVADZBQXDJ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001098951564 819394973 /nfs/dbraw/zinc/39/49/73/819394973.db2.gz PBARAYCIFJRHOF-LLQJNDGASA-N 1 3 335.448 -0.187 20 0 EBADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001098951564 819394980 /nfs/dbraw/zinc/39/49/80/819394980.db2.gz PBARAYCIFJRHOF-LLQJNDGASA-N 1 3 335.448 -0.187 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001099597128 819494153 /nfs/dbraw/zinc/49/41/53/819494153.db2.gz SNHKSNSLFNRDKL-HNNXBMFYSA-N 1 3 343.468 -0.456 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975001 819979679 /nfs/dbraw/zinc/97/96/79/819979679.db2.gz XLJSVEPEFPJVQZ-CVEARBPZSA-N 1 3 337.468 -0.144 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001100050592 820126138 /nfs/dbraw/zinc/12/61/38/820126138.db2.gz KRRREVHAKGCYLZ-HUUCEWRRSA-N 1 3 329.441 -0.969 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100442598 820423420 /nfs/dbraw/zinc/42/34/20/820423420.db2.gz NQUSTWPQQHAXHD-WXRRBKDZSA-N 1 3 341.456 -0.343 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100457321 820429028 /nfs/dbraw/zinc/42/90/28/820429028.db2.gz YTBYSEMTDUBBQZ-UHFFFAOYSA-N 1 3 348.513 -0.250 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100676037 820507704 /nfs/dbraw/zinc/50/77/04/820507704.db2.gz HRMFXJHJKQINTM-HSBZDZAISA-N 1 3 331.482 0.000 20 0 EBADHO CN(CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001100681618 820510602 /nfs/dbraw/zinc/51/06/02/820510602.db2.gz OEYUGUCFYIHLCW-UHFFFAOYSA-N 1 3 341.456 -0.356 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001100683606 820511666 /nfs/dbraw/zinc/51/16/66/820511666.db2.gz JUJWGRIUHFFNOF-MCIGGMRASA-N 1 3 327.429 -0.733 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100901662 820594263 /nfs/dbraw/zinc/59/42/63/820594263.db2.gz HTIFQPVTQHTPLR-UHFFFAOYSA-N 1 3 340.468 -0.329 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCC2CC(NCC(=O)Nc3cnccn3)C2)C1 ZINC001100981048 820630482 /nfs/dbraw/zinc/63/04/82/820630482.db2.gz SHKMZHLJZWRYIE-MOKVOYLWSA-N 1 3 346.435 -0.149 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCC2CC(NCC(=O)Nc3cnccn3)C2)C1 ZINC001100981048 820630486 /nfs/dbraw/zinc/63/04/86/820630486.db2.gz SHKMZHLJZWRYIE-MOKVOYLWSA-N 1 3 346.435 -0.149 20 0 EBADHO C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318792 821069685 /nfs/dbraw/zinc/06/96/85/821069685.db2.gz KFDXNIQNKOXCGM-ZIAGYGMSSA-N 1 3 348.513 -0.486 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001317126704 822012568 /nfs/dbraw/zinc/01/25/68/822012568.db2.gz YGWOQDPVASBCFB-TXEJJXNPSA-N 1 3 328.438 -0.068 20 0 EBADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244195 822044792 /nfs/dbraw/zinc/04/47/92/822044792.db2.gz HAWIEXZSRJFOTQ-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)S(C)(=O)=O ZINC001317313646 822079930 /nfs/dbraw/zinc/07/99/30/822079930.db2.gz RNVLMZGDKPVQHR-UONOGXRCSA-N 1 3 346.497 -0.590 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106910627 822353063 /nfs/dbraw/zinc/35/30/63/822353063.db2.gz HCURNPAUSUOXDO-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001128773800 828524090 /nfs/dbraw/zinc/52/40/90/828524090.db2.gz DYEBEICPXDXRHE-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001128773800 828524096 /nfs/dbraw/zinc/52/40/96/828524096.db2.gz DYEBEICPXDXRHE-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129219907 828582327 /nfs/dbraw/zinc/58/23/27/828582327.db2.gz NEUYDMJEBUGUSE-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001129327011 828598821 /nfs/dbraw/zinc/59/88/21/828598821.db2.gz DJLSINOCUYKXSM-AWEZNQCLSA-N 1 3 348.513 -0.439 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001129327011 828598823 /nfs/dbraw/zinc/59/88/23/828598823.db2.gz DJLSINOCUYKXSM-AWEZNQCLSA-N 1 3 348.513 -0.439 20 0 EBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364193 828606461 /nfs/dbraw/zinc/60/64/61/828606461.db2.gz RDZMFNCOWGXXKU-AWEZNQCLSA-N 1 3 326.441 -0.528 20 0 EBADHO CCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364193 828606466 /nfs/dbraw/zinc/60/64/66/828606466.db2.gz RDZMFNCOWGXXKU-AWEZNQCLSA-N 1 3 326.441 -0.528 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC(=O)NC1CC1)C1CC1 ZINC001129436474 828618932 /nfs/dbraw/zinc/61/89/32/828618932.db2.gz PLMQUYKUKSNNOX-CYBMUJFWSA-N 1 3 325.413 -0.979 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1CC1 ZINC001129443119 828619724 /nfs/dbraw/zinc/61/97/24/828619724.db2.gz IHUWHPGADYGTJH-NEPJUHHUSA-N 1 3 341.374 -0.028 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC(=O)NC1CC1 ZINC001129534889 828631782 /nfs/dbraw/zinc/63/17/82/828631782.db2.gz BXXLRQHPHAGPSC-LLVKDONJSA-N 1 3 339.440 -0.447 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001129840781 828680229 /nfs/dbraw/zinc/68/02/29/828680229.db2.gz JESPEGHEAOOQCX-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001129840781 828680235 /nfs/dbraw/zinc/68/02/35/828680235.db2.gz JESPEGHEAOOQCX-CQSZACIVSA-N 1 3 346.497 -0.398 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129840823 828680314 /nfs/dbraw/zinc/68/03/14/828680314.db2.gz KELZJONPAWLMQG-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840823 828680320 /nfs/dbraw/zinc/68/03/20/828680320.db2.gz KELZJONPAWLMQG-CYBMUJFWSA-N 1 3 334.486 -0.494 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCCN1CCCS1(=O)=O)[NH+](C)C ZINC001129947419 828698461 /nfs/dbraw/zinc/69/84/61/828698461.db2.gz YZLHBXOXCUOGMV-ZDUSSCGKSA-N 1 3 334.486 -0.686 20 0 EBADHO C[C@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC(N)=O ZINC001130173215 828744854 /nfs/dbraw/zinc/74/48/54/828744854.db2.gz BRAFFDNWKIKJKW-NSHDSACASA-N 1 3 325.413 -0.848 20 0 EBADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137325 828739210 /nfs/dbraw/zinc/73/92/10/828739210.db2.gz UBLPYSPBAVWHFH-KFWWJZLASA-N 1 3 338.456 -0.005 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)S(C)(=O)=O ZINC001130187463 828751034 /nfs/dbraw/zinc/75/10/34/828751034.db2.gz VRCQDTSPJKSJLN-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(CCNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)S(C)(=O)=O ZINC001130187463 828751039 /nfs/dbraw/zinc/75/10/39/828751039.db2.gz VRCQDTSPJKSJLN-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C ZINC001179763973 833008935 /nfs/dbraw/zinc/00/89/35/833008935.db2.gz RUDRUNKNKHFQFC-XHSDSOJGSA-N 1 3 345.484 -0.069 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001179762936 833009041 /nfs/dbraw/zinc/00/90/41/833009041.db2.gz BVHAHOKFOUPERG-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001114413799 826238650 /nfs/dbraw/zinc/23/86/50/826238650.db2.gz GSVVCNSOCWJUAG-IATRGZMQSA-N 1 3 334.420 -0.678 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001114413799 826238654 /nfs/dbraw/zinc/23/86/54/826238654.db2.gz GSVVCNSOCWJUAG-IATRGZMQSA-N 1 3 334.420 -0.678 20 0 EBADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001114589434 826293501 /nfs/dbraw/zinc/29/35/01/826293501.db2.gz HORDGBLQKMHILE-ZBKZBXIDSA-N 1 3 335.448 -0.068 20 0 EBADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001114589434 826293505 /nfs/dbraw/zinc/29/35/05/826293505.db2.gz HORDGBLQKMHILE-ZBKZBXIDSA-N 1 3 335.448 -0.068 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001115038576 826406018 /nfs/dbraw/zinc/40/60/18/826406018.db2.gz MLBFZCMVPLIJRY-KNCOVGOOSA-N 1 3 336.436 -0.968 20 0 EBADHO COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125714 826427904 /nfs/dbraw/zinc/42/79/04/826427904.db2.gz AYPMWDCWSJNOSB-FOLVSLTJSA-N 1 3 329.441 -0.726 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115152893 826434186 /nfs/dbraw/zinc/43/41/86/826434186.db2.gz WPOUWEXPKYHYQS-LJIGWXMPSA-N 1 3 335.452 -0.368 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115152893 826434189 /nfs/dbraw/zinc/43/41/89/826434189.db2.gz WPOUWEXPKYHYQS-LJIGWXMPSA-N 1 3 335.452 -0.368 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)COC2CCOCC2)C1 ZINC001118148225 826860239 /nfs/dbraw/zinc/86/02/39/826860239.db2.gz SNHWPXRECANZKA-GJZGRUSLSA-N 1 3 343.468 -0.280 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)COC2CCOCC2)C1 ZINC001118148225 826860255 /nfs/dbraw/zinc/86/02/55/826860255.db2.gz SNHWPXRECANZKA-GJZGRUSLSA-N 1 3 343.468 -0.280 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118488053 826939975 /nfs/dbraw/zinc/93/99/75/826939975.db2.gz YXOWMAOCZRIVDK-GXTWGEPZSA-N 1 3 326.441 -0.672 20 0 EBADHO CN1CCN(CCCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC001119527405 827117028 /nfs/dbraw/zinc/11/70/28/827117028.db2.gz PSDKIAVJPALEKM-QGZVFWFLSA-N 1 3 326.485 -0.023 20 0 EBADHO CN1CCN(CCCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC001119527405 827117032 /nfs/dbraw/zinc/11/70/32/827117032.db2.gz PSDKIAVJPALEKM-QGZVFWFLSA-N 1 3 326.485 -0.023 20 0 EBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNCCO3)C[C@H]2C1 ZINC001120434958 827219707 /nfs/dbraw/zinc/21/97/07/827219707.db2.gz VBUNUSQXTGNMDQ-KBUPBQIOSA-N 1 3 338.452 -0.720 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181673195 833172877 /nfs/dbraw/zinc/17/28/77/833172877.db2.gz FTDHJAKXEBTNAD-OLZOCXBDSA-N 1 3 332.470 -0.790 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001181884886 833186800 /nfs/dbraw/zinc/18/68/00/833186800.db2.gz LNJUHLGTNPOXJD-XHBSWPGZSA-N 1 3 341.456 -0.404 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001182473285 833236157 /nfs/dbraw/zinc/23/61/57/833236157.db2.gz OZUVYKJQLFCTBJ-KGLIPLIRSA-N 1 3 346.497 -0.401 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001182473285 833236162 /nfs/dbraw/zinc/23/61/62/833236162.db2.gz OZUVYKJQLFCTBJ-KGLIPLIRSA-N 1 3 346.497 -0.401 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001182692579 833252572 /nfs/dbraw/zinc/25/25/72/833252572.db2.gz NSQBCGCPKJPFBO-FRRDWIJNSA-N 1 3 339.440 -0.637 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001182692579 833252579 /nfs/dbraw/zinc/25/25/79/833252579.db2.gz NSQBCGCPKJPFBO-FRRDWIJNSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872554 827972296 /nfs/dbraw/zinc/97/22/96/827972296.db2.gz KFTUYXFUTYDKSC-VXGBXAGGSA-N 1 3 341.456 -0.201 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001183240388 833284350 /nfs/dbraw/zinc/28/43/50/833284350.db2.gz CFKZWRGLJUYQTK-CHWSQXEVSA-N 1 3 339.440 -0.650 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001183240388 833284351 /nfs/dbraw/zinc/28/43/51/833284351.db2.gz CFKZWRGLJUYQTK-CHWSQXEVSA-N 1 3 339.440 -0.650 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288195 833285704 /nfs/dbraw/zinc/28/57/04/833285704.db2.gz BPRXRGBHNYSUBJ-ZBFHGGJFSA-N 1 3 343.468 -0.315 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647387 833297967 /nfs/dbraw/zinc/29/79/67/833297967.db2.gz GBVWZMUOSYHQPC-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065861 828247372 /nfs/dbraw/zinc/24/73/72/828247372.db2.gz GEVSPYUBEGXUBW-CYBMUJFWSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065861 828247379 /nfs/dbraw/zinc/24/73/79/828247379.db2.gz GEVSPYUBEGXUBW-CYBMUJFWSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001127082544 828249329 /nfs/dbraw/zinc/24/93/29/828249329.db2.gz UKLQJLOUEVKQAZ-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001127082544 828249334 /nfs/dbraw/zinc/24/93/34/828249334.db2.gz UKLQJLOUEVKQAZ-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322720 828279501 /nfs/dbraw/zinc/27/95/01/828279501.db2.gz USVACGZBKGAVIV-OAHLLOKOSA-N 1 3 345.484 -0.019 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@H]1CCCO1 ZINC001127474497 828297247 /nfs/dbraw/zinc/29/72/47/828297247.db2.gz MTTAOMKPEPWTFD-CABCVRRESA-N 1 3 338.452 -0.671 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659829 828312758 /nfs/dbraw/zinc/31/27/58/828312758.db2.gz MUFKWBJORPERBQ-BFHYXJOUSA-N 1 3 328.457 -0.426 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659829 828312767 /nfs/dbraw/zinc/31/27/67/828312767.db2.gz MUFKWBJORPERBQ-BFHYXJOUSA-N 1 3 328.457 -0.426 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127691045 828315695 /nfs/dbraw/zinc/31/56/95/828315695.db2.gz ZANCYCMOFSWYHZ-VXGBXAGGSA-N 1 3 327.429 -0.732 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127691045 828315702 /nfs/dbraw/zinc/31/57/02/828315702.db2.gz ZANCYCMOFSWYHZ-VXGBXAGGSA-N 1 3 327.429 -0.732 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779956 828327546 /nfs/dbraw/zinc/32/75/46/828327546.db2.gz UKRXOLQIRQHXRW-KGLIPLIRSA-N 1 3 326.441 -0.578 20 0 EBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779956 828327556 /nfs/dbraw/zinc/32/75/56/828327556.db2.gz UKRXOLQIRQHXRW-KGLIPLIRSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1CCC1 ZINC001127780450 828330435 /nfs/dbraw/zinc/33/04/35/828330435.db2.gz ZBBANFASHFJHHE-GJZGRUSLSA-N 1 3 338.452 -0.528 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)NCC1CCC1 ZINC001127780450 828330443 /nfs/dbraw/zinc/33/04/43/828330443.db2.gz ZBBANFASHFJHHE-GJZGRUSLSA-N 1 3 338.452 -0.528 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC2CCOCC2)C1 ZINC001185248372 833351552 /nfs/dbraw/zinc/35/15/52/833351552.db2.gz DHKLXYGNUJKPDW-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185350124 833356846 /nfs/dbraw/zinc/35/68/46/833356846.db2.gz ZMZBRIBNWLNZNI-OLZOCXBDSA-N 1 3 341.456 -0.403 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385979 833357290 /nfs/dbraw/zinc/35/72/90/833357290.db2.gz YOLHFOUXKLJPOZ-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001185455555 833359241 /nfs/dbraw/zinc/35/92/41/833359241.db2.gz PIRKSRGHICETDB-QJPTWQEYSA-N 1 3 327.429 -0.654 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001185715714 833368050 /nfs/dbraw/zinc/36/80/50/833368050.db2.gz KHDCAOGZBXAIQN-OLZOCXBDSA-N 1 3 339.440 -0.541 20 0 EBADHO Cc1noc(CCC[NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)n1 ZINC001131520022 829152140 /nfs/dbraw/zinc/15/21/40/829152140.db2.gz RDBYUQAEWKHGTG-XOYHFGRZSA-N 1 3 349.435 -0.120 20 0 EBADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555494 829158724 /nfs/dbraw/zinc/15/87/24/829158724.db2.gz IKIJTKKPPXHUGY-PBHICJAKSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001131588154 829161622 /nfs/dbraw/zinc/16/16/22/829161622.db2.gz UMIUCKRZVDZLAG-PBHICJAKSA-N 1 3 340.468 -0.201 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001131588154 829161625 /nfs/dbraw/zinc/16/16/25/829161625.db2.gz UMIUCKRZVDZLAG-PBHICJAKSA-N 1 3 340.468 -0.201 20 0 EBADHO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC(N(C)[C@H]3CCOC3)C2)C1 ZINC001186108091 833389251 /nfs/dbraw/zinc/38/92/51/833389251.db2.gz WAFQKAAOBXLUOM-STQMWFEESA-N 1 3 325.409 -0.587 20 0 EBADHO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)[C@H]3CCOC3)C2)C1 ZINC001186108091 833389252 /nfs/dbraw/zinc/38/92/52/833389252.db2.gz WAFQKAAOBXLUOM-STQMWFEESA-N 1 3 325.409 -0.587 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001132736879 829512157 /nfs/dbraw/zinc/51/21/57/829512157.db2.gz FFROBGWWHDBQKM-OAHLLOKOSA-N 1 3 340.468 -0.327 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001132736879 829512166 /nfs/dbraw/zinc/51/21/66/829512166.db2.gz FFROBGWWHDBQKM-OAHLLOKOSA-N 1 3 340.468 -0.327 20 0 EBADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001132995536 829568363 /nfs/dbraw/zinc/56/83/63/829568363.db2.gz XABLSFIZVGLALY-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC001132995592 829568647 /nfs/dbraw/zinc/56/86/47/829568647.db2.gz ZUKWUHYRZOVUGJ-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001133051344 829578045 /nfs/dbraw/zinc/57/80/45/829578045.db2.gz DTRKLVQPMILCRH-NSHDSACASA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051857 829578831 /nfs/dbraw/zinc/57/88/31/829578831.db2.gz RVIFNWSVRYJVGF-LBPRGKRZSA-N 1 3 329.445 -0.343 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178250 829598813 /nfs/dbraw/zinc/59/88/13/829598813.db2.gz NLJHVHXGWUNVEL-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001186824546 833431269 /nfs/dbraw/zinc/43/12/69/833431269.db2.gz AEXKXKJKVBJVFN-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001186824546 833431276 /nfs/dbraw/zinc/43/12/76/833431276.db2.gz AEXKXKJKVBJVFN-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCCN1CCCS1(=O)=O)[NH+](C)C ZINC001133416025 829630111 /nfs/dbraw/zinc/63/01/11/829630111.db2.gz YZLHBXOXCUOGMV-CYBMUJFWSA-N 1 3 334.486 -0.686 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001133434486 829631325 /nfs/dbraw/zinc/63/13/25/829631325.db2.gz TWRNDQXDNBGLTO-UKRRQHHQSA-N 1 3 328.457 -0.569 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684588 829661246 /nfs/dbraw/zinc/66/12/46/829661246.db2.gz KEJGUFLDNAVZJL-LBPRGKRZSA-N 1 3 329.445 -0.342 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849696 829687169 /nfs/dbraw/zinc/68/71/69/829687169.db2.gz BYNSHUMHCPMAKC-OAHLLOKOSA-N 1 3 345.419 -0.640 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133849696 829687173 /nfs/dbraw/zinc/68/71/73/829687173.db2.gz BYNSHUMHCPMAKC-OAHLLOKOSA-N 1 3 345.419 -0.640 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001133856645 829688538 /nfs/dbraw/zinc/68/85/38/829688538.db2.gz MQODBMPMLMQPOT-ZBEGNZNMSA-N 1 3 342.415 -0.290 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001133856645 829688542 /nfs/dbraw/zinc/68/85/42/829688542.db2.gz MQODBMPMLMQPOT-ZBEGNZNMSA-N 1 3 342.415 -0.290 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896280 829695063 /nfs/dbraw/zinc/69/50/63/829695063.db2.gz GOLFWMJNPGUEBU-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896451 829695304 /nfs/dbraw/zinc/69/53/04/829695304.db2.gz JODCXXVTCYCJQV-UHFFFAOYSA-N 1 3 328.457 -0.423 20 0 EBADHO C[C@@H](NCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(=O)N(C)C ZINC001134020435 829713750 /nfs/dbraw/zinc/71/37/50/829713750.db2.gz AQBJPMRNCKWMHO-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CCN(C)C(=O)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134054674 829719660 /nfs/dbraw/zinc/71/96/60/829719660.db2.gz OVPHGPHRFVAVHH-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134582978 829797194 /nfs/dbraw/zinc/79/71/94/829797194.db2.gz CMDUXYDTHXEZRG-RYUDHWBXSA-N 1 3 341.456 -0.201 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCCN2CCCS2(=O)=O)CC1 ZINC001134780374 829844908 /nfs/dbraw/zinc/84/49/08/829844908.db2.gz CUYVXSSXGUHHOU-UHFFFAOYSA-N 1 3 346.497 -0.540 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782180 829844998 /nfs/dbraw/zinc/84/49/98/829844998.db2.gz ARDRQVSXEOAOMO-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)N1CCOCC1)C(C)C ZINC001135477346 829974396 /nfs/dbraw/zinc/97/43/96/829974396.db2.gz DDWHAANJVHCXRZ-INIZCTEOSA-N 1 3 342.484 -0.083 20 0 EBADHO NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229597 837411091 /nfs/dbraw/zinc/41/10/91/837411091.db2.gz XVZRLWZMILALTR-CYBMUJFWSA-N 1 3 339.440 -0.362 20 0 EBADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(C1)CCN(CCOCCO)C2 ZINC001147572851 830365862 /nfs/dbraw/zinc/36/58/62/830365862.db2.gz LOTVZPPMJFWZPB-MRXNPFEDSA-N 1 3 337.464 -0.129 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147836218 830418834 /nfs/dbraw/zinc/41/88/34/830418834.db2.gz ZKMDEAGADXUJNP-ZIAGYGMSSA-N 1 3 348.513 -0.248 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001147885324 830426177 /nfs/dbraw/zinc/42/61/77/830426177.db2.gz LZLUTBJJGLLLSV-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001147885324 830426184 /nfs/dbraw/zinc/42/61/84/830426184.db2.gz LZLUTBJJGLLLSV-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1C[C@H](C)CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1 ZINC001147893986 830427081 /nfs/dbraw/zinc/42/70/81/830427081.db2.gz WZBWHGPWQDEDPM-GASCZTMLSA-N 1 3 342.484 -0.225 20 0 EBADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147894037 830427248 /nfs/dbraw/zinc/42/72/48/830427248.db2.gz YUAJGXFICQCYSR-ZDUSSCGKSA-N 1 3 330.473 -0.036 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365430 830475836 /nfs/dbraw/zinc/47/58/36/830475836.db2.gz PJRARSSIJVMSFJ-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001148655122 830524122 /nfs/dbraw/zinc/52/41/22/830524122.db2.gz IDNOTNWDBBWZCF-GFCCVEGCSA-N 1 3 329.445 -0.343 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOCC ZINC001148655659 830525014 /nfs/dbraw/zinc/52/50/14/830525014.db2.gz QRTNPQQXEMMGJS-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO C[C@H](COCC(=O)NC[C@@H]1CN(CCO)CCCO1)[NH+]1CCCC1 ZINC001150334341 830866334 /nfs/dbraw/zinc/86/63/34/830866334.db2.gz VCOULKFBIGOSPM-HZPDHXFCSA-N 1 3 343.468 -0.313 20 0 EBADHO COCCN1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508201 830919750 /nfs/dbraw/zinc/91/97/50/830919750.db2.gz PMQCZIRJRSHURU-INIZCTEOSA-N 1 3 343.468 -0.049 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150546566 830928117 /nfs/dbraw/zinc/92/81/17/830928117.db2.gz GMDSGSGELZZDOC-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150546566 830928120 /nfs/dbraw/zinc/92/81/20/830928120.db2.gz GMDSGSGELZZDOC-CABCVRRESA-N 1 3 331.457 -0.457 20 0 EBADHO CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066656 831020406 /nfs/dbraw/zinc/02/04/06/831020406.db2.gz WTPPKBLKWCOAMC-CQSZACIVSA-N 1 3 336.440 -0.964 20 0 EBADHO CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066656 831020412 /nfs/dbraw/zinc/02/04/12/831020412.db2.gz WTPPKBLKWCOAMC-CQSZACIVSA-N 1 3 336.440 -0.964 20 0 EBADHO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)CN2CCOCC2)nn1 ZINC001151158593 831034783 /nfs/dbraw/zinc/03/47/83/831034783.db2.gz PQUKXGWRXISIFJ-ZDUSSCGKSA-N 1 3 337.424 -0.341 20 0 EBADHO C[C@H](NCCNC(=O)c1ccccc1C[NH+](C)C)C(=O)NC(N)=O ZINC001152383872 831156390 /nfs/dbraw/zinc/15/63/90/831156390.db2.gz KUNPTUGMBQUWKA-NSHDSACASA-N 1 3 335.408 -0.349 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152444904 831163276 /nfs/dbraw/zinc/16/32/76/831163276.db2.gz BFOVIPUCUHUGPI-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152444905 831163490 /nfs/dbraw/zinc/16/34/90/831163490.db2.gz BFOVIPUCUHUGPI-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152452061 831164250 /nfs/dbraw/zinc/16/42/50/831164250.db2.gz RKWWTYVBFFRSDN-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001152473090 831166773 /nfs/dbraw/zinc/16/67/73/831166773.db2.gz VPEKXCVKHGUTOL-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001155789916 831430233 /nfs/dbraw/zinc/43/02/33/831430233.db2.gz HRHMPOONJSBFHF-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001157717014 831587287 /nfs/dbraw/zinc/58/72/87/831587287.db2.gz WFTRXPPWCRIODZ-WRSAYESZSA-N 1 3 344.415 -0.457 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306011 831644570 /nfs/dbraw/zinc/64/45/70/831644570.db2.gz NGVLHZHJOXSNON-SGMGOOAPSA-N 1 3 332.408 -0.866 20 0 EBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001158413893 831652487 /nfs/dbraw/zinc/65/24/87/831652487.db2.gz BTOFZNDHOOJQPD-PBFPGSCMSA-N 1 3 337.420 -0.634 20 0 EBADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001159132604 831710724 /nfs/dbraw/zinc/71/07/24/831710724.db2.gz BPKIABKESYITSP-JSGCOSHPSA-N 1 3 331.424 -0.304 20 0 EBADHO [NH3+]CCCNCC(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159159274 831713731 /nfs/dbraw/zinc/71/37/31/831713731.db2.gz ZOCJECRTDGAGFD-UHFFFAOYSA-N 1 3 334.468 -0.198 20 0 EBADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]21 ZINC001159191728 831717671 /nfs/dbraw/zinc/71/76/71/831717671.db2.gz JGFRKVGRAKIMEK-IGQOVBAYSA-N 1 3 341.456 -0.813 20 0 EBADHO CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001159540640 831760428 /nfs/dbraw/zinc/76/04/28/831760428.db2.gz DFSMEEFXNSCCSP-CPUCHLNUSA-N 1 3 340.468 -0.310 20 0 EBADHO C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159607991 831765208 /nfs/dbraw/zinc/76/52/08/831765208.db2.gz DTLWZYHMYOMVIU-YPMHNXCESA-N 1 3 348.451 -0.015 20 0 EBADHO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664139 831770323 /nfs/dbraw/zinc/77/03/23/831770323.db2.gz CMVUQVGKAMOOLI-HZMVEIRTSA-N 1 3 346.431 -0.536 20 0 EBADHO O=C([C@@H]1C[NH2+]CCN1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666002 831770737 /nfs/dbraw/zinc/77/07/37/831770737.db2.gz NPOKSLZBMVIOIY-ULQDDVLXSA-N 1 3 345.447 -0.555 20 0 EBADHO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@H](N)CCC[NH3+])C3)CC2=O)cn1 ZINC001159750404 831778699 /nfs/dbraw/zinc/77/86/99/831778699.db2.gz KEEOKLCJGFUWBE-CJNGLKHVSA-N 1 3 334.424 -0.558 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CCC1 ZINC001159855011 831788662 /nfs/dbraw/zinc/78/86/62/831788662.db2.gz ZTNLCITXZOOFKO-UHFFFAOYSA-N 1 3 339.440 -0.445 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159916735 831797025 /nfs/dbraw/zinc/79/70/25/831797025.db2.gz RONIGXUCGQXRNS-HNNXBMFYSA-N 1 3 328.457 -0.425 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914202 831797111 /nfs/dbraw/zinc/79/71/11/831797111.db2.gz BLRJYQBKJKDBAI-CYBMUJFWSA-N 1 3 327.429 -0.732 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001159914210 831797276 /nfs/dbraw/zinc/79/72/76/831797276.db2.gz BLXHSEOYNNOQTG-CQSZACIVSA-N 1 3 339.440 -0.589 20 0 EBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159930311 831797753 /nfs/dbraw/zinc/79/77/53/831797753.db2.gz RMFMHQFIHVYOMH-HRCADAONSA-N 1 3 334.468 -0.473 20 0 EBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CCO2 ZINC001160179503 831822590 /nfs/dbraw/zinc/82/25/90/831822590.db2.gz LNKYLLTUULVMHF-NVXWUHKLSA-N 1 3 338.452 -0.447 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160425945 831848124 /nfs/dbraw/zinc/84/81/24/831848124.db2.gz ARLYTVSHPCFWNV-NEPJUHHUSA-N 1 3 329.445 -0.487 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001160427900 831848139 /nfs/dbraw/zinc/84/81/39/831848139.db2.gz XFFHFRYPYVISFQ-ZDUSSCGKSA-N 1 3 336.502 -0.440 20 0 EBADHO COC(=O)CN1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001160535747 831861078 /nfs/dbraw/zinc/86/10/78/831861078.db2.gz VDNNJQAFOXWHJO-AWEZNQCLSA-N 1 3 328.457 -0.201 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160742607 831881408 /nfs/dbraw/zinc/88/14/08/831881408.db2.gz PXKUYTIEMCVZPC-ZDUSSCGKSA-N 1 3 344.481 -0.708 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H]1C2 ZINC001160794403 831887587 /nfs/dbraw/zinc/88/75/87/831887587.db2.gz NXDHWFYYZYOGTD-MGWGEXEUSA-N 1 3 335.326 -0.267 20 0 EBADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160823792 831892313 /nfs/dbraw/zinc/89/23/13/831892313.db2.gz JPACSWNZQUIVIZ-VIFPVBQESA-N 1 3 342.421 -0.245 20 0 EBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160824829 831892553 /nfs/dbraw/zinc/89/25/53/831892553.db2.gz RONDKBFLCGVVRO-CMPLNLGQSA-N 1 3 341.437 -0.582 20 0 EBADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161026619 831915187 /nfs/dbraw/zinc/91/51/87/831915187.db2.gz SCGUQPCUONNGEG-LSDHHAIUSA-N 1 3 329.400 -0.078 20 0 EBADHO CC(C)(O)CCN1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001161175318 831935374 /nfs/dbraw/zinc/93/53/74/831935374.db2.gz KUMXXIQODSVKFG-HNNXBMFYSA-N 1 3 341.500 -0.958 20 0 EBADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001161239241 831939525 /nfs/dbraw/zinc/93/95/25/831939525.db2.gz YIYYPRSMZXPKRW-KBPBESRZSA-N 1 3 328.457 -0.202 20 0 EBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001161264166 831943240 /nfs/dbraw/zinc/94/32/40/831943240.db2.gz KDCLWAGMIIBRCX-ZDUSSCGKSA-N 1 3 332.470 -0.756 20 0 EBADHO CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)[C@@H]1CCC[NH2+]C1 ZINC001161341499 831949817 /nfs/dbraw/zinc/94/98/17/831949817.db2.gz VQFROBRUORWFRJ-XQQFMLRXSA-N 1 3 326.441 -0.102 20 0 EBADHO [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3CNCc4ccnn4C3)C2)CC1 ZINC001161373303 831951184 /nfs/dbraw/zinc/95/11/84/831951184.db2.gz NYSNRGRJIAJBKT-BBRMVZONSA-N 1 3 332.452 -0.374 20 0 EBADHO COc1cc(O[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)ccn1 ZINC001161395002 831953745 /nfs/dbraw/zinc/95/37/45/831953745.db2.gz QTTOSSYAGLJIAP-KGLIPLIRSA-N 1 3 332.404 -0.121 20 0 EBADHO COC(=O)[C@@H]1C[C@H](C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCN1 ZINC001161444339 831957932 /nfs/dbraw/zinc/95/79/32/831957932.db2.gz GIYOYQGWVJDCMT-ILXRZTDVSA-N 1 3 340.468 -0.330 20 0 EBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001161602340 831976931 /nfs/dbraw/zinc/97/69/31/831976931.db2.gz WOQZHGLIQCUJON-NSHDSACASA-N 1 3 333.392 -0.752 20 0 EBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001161602337 831977299 /nfs/dbraw/zinc/97/72/99/831977299.db2.gz WOQZHGLIQCUJON-LLVKDONJSA-N 1 3 333.392 -0.752 20 0 EBADHO Cn1nnnc1C[NH2+]CCCNC(=O)c1ccn(-c2ccncc2)n1 ZINC001162316439 832033632 /nfs/dbraw/zinc/03/36/32/832033632.db2.gz AWSIGZNRGCPQDG-UHFFFAOYSA-N 1 3 341.379 -0.300 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871988 832067400 /nfs/dbraw/zinc/06/74/00/832067400.db2.gz CKIFFUIGYJELAI-QRJNDHJOSA-N 1 3 337.449 -0.003 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162871988 832067407 /nfs/dbraw/zinc/06/74/07/832067407.db2.gz CKIFFUIGYJELAI-QRJNDHJOSA-N 1 3 337.449 -0.003 20 0 EBADHO O=C(C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)NC1CC1 ZINC001162872452 832068919 /nfs/dbraw/zinc/06/89/19/832068919.db2.gz SHXGECGCMDGJCF-TVIZTDCDSA-N 1 3 336.436 -0.776 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163822194 832142282 /nfs/dbraw/zinc/14/22/82/832142282.db2.gz VGDAIKBCCASRBK-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1ccccc1C(N)=O ZINC001165793870 832238172 /nfs/dbraw/zinc/23/81/72/832238172.db2.gz DYMYFNGIRJXFCU-UHFFFAOYSA-N 1 3 349.435 -0.228 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001166004532 832245795 /nfs/dbraw/zinc/24/57/95/832245795.db2.gz QOQQWRQNKABNGM-OAHLLOKOSA-N 1 3 328.457 -0.473 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001166676769 832278780 /nfs/dbraw/zinc/27/87/80/832278780.db2.gz CEVOYKHVHUHVFK-CABCVRRESA-N 1 3 340.468 -0.423 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166676673 832278902 /nfs/dbraw/zinc/27/89/02/832278902.db2.gz AYGDKPNFJBTBES-HUUCEWRRSA-N 1 3 331.457 -0.552 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001166865469 832294821 /nfs/dbraw/zinc/29/48/21/832294821.db2.gz DTVVPFILVDMGOS-KGLIPLIRSA-N 1 3 348.513 -0.296 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC001352730756 832362053 /nfs/dbraw/zinc/36/20/53/832362053.db2.gz RGAVBDWGTNASIQ-RDBSUJKOSA-N 1 3 328.457 -0.380 20 0 EBADHO N=C(NCCCC[NH3+])Nc1nc2nc[nH]c2c(N2CCOCC2)n1 ZINC001167877482 832380975 /nfs/dbraw/zinc/38/09/75/832380975.db2.gz DOPYQGVCKYFAEK-UHFFFAOYSA-N 1 3 333.400 -0.135 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001353698006 832441251 /nfs/dbraw/zinc/44/12/51/832441251.db2.gz BKRHFFGEZZFNBB-CQSZACIVSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001171238265 832553420 /nfs/dbraw/zinc/55/34/20/832553420.db2.gz SXVSZWGXGHQJGX-LBPRGKRZSA-N 1 3 341.456 -0.070 20 0 EBADHO O=C(CNCCCNC(=O)C12CC[NH+](CC1)C2)Nc1nncs1 ZINC001171311947 832555385 /nfs/dbraw/zinc/55/53/85/832555385.db2.gz VGPTYCMGGDAGMN-UHFFFAOYSA-N 1 3 338.437 -0.332 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001171762363 832574662 /nfs/dbraw/zinc/57/46/62/832574662.db2.gz AYVSMOZLELCDOE-HUUCEWRRSA-N 1 3 333.473 -0.164 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001171758292 832574928 /nfs/dbraw/zinc/57/49/28/832574928.db2.gz VOLPJLXTFUWEEE-LBPRGKRZSA-N 1 3 329.445 -0.342 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001171770689 832575662 /nfs/dbraw/zinc/57/56/62/832575662.db2.gz XSYNLSBFPVQVRF-CVEARBPZSA-N 1 3 345.484 -0.019 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)CN1CCOCC1)c1nnnn1C ZINC001176161034 832660314 /nfs/dbraw/zinc/66/03/14/832660314.db2.gz MAXACIURVORTHN-QWHCGFSZSA-N 1 3 339.444 -0.665 20 0 EBADHO CCn1ncc(C[NH2+]CCCNC(=O)[C@@H](C)CN2CCOCC2)n1 ZINC001176168603 832661169 /nfs/dbraw/zinc/66/11/69/832661169.db2.gz FHTUBIBXKFWDTO-AWEZNQCLSA-N 1 3 338.456 -0.138 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001176986806 832725975 /nfs/dbraw/zinc/72/59/75/832725975.db2.gz WKBRKRLBPLVGPZ-AWEZNQCLSA-N 1 3 328.457 -0.425 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178361286 832853728 /nfs/dbraw/zinc/85/37/28/832853728.db2.gz XFZWKXKMTZERHH-MELADBBJSA-N 1 3 346.497 -0.401 20 0 EBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(=O)NC(N)=O ZINC001178902317 832928431 /nfs/dbraw/zinc/92/84/31/832928431.db2.gz KUQDPMBQHQEYSZ-MDZLAQPJSA-N 1 3 339.440 -0.367 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C)N(C)C ZINC001178985769 832937592 /nfs/dbraw/zinc/93/75/92/832937592.db2.gz XCVMTHCGDGIKBR-MROQNXINSA-N 1 3 341.456 -0.250 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C)N(C)C ZINC001178990021 832938090 /nfs/dbraw/zinc/93/80/90/832938090.db2.gz FOHKEHNGSIOAOT-XUWVNRHRSA-N 1 3 345.484 -0.071 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C)[NH+](CC)CC ZINC001179517353 832984831 /nfs/dbraw/zinc/98/48/31/832984831.db2.gz QDPRYFLXLGMLEK-RWMBFGLXSA-N 1 3 341.456 -0.119 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C)N(C)C ZINC001179549951 832988750 /nfs/dbraw/zinc/98/87/50/832988750.db2.gz NWRPLEMVHSDCFW-SRVKXCTJSA-N 1 3 327.429 -0.639 20 0 EBADHO CC(C)CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106252 833901307 /nfs/dbraw/zinc/90/13/07/833901307.db2.gz CUKXDKGGKAEMBK-LSDHHAIUSA-N 1 3 342.484 -0.084 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825460 833972135 /nfs/dbraw/zinc/97/21/35/833972135.db2.gz MEEULTOCHJIJOZ-QWHCGFSZSA-N 1 3 332.470 -0.932 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825460 833972139 /nfs/dbraw/zinc/97/21/39/833972139.db2.gz MEEULTOCHJIJOZ-QWHCGFSZSA-N 1 3 332.470 -0.932 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001188083583 833999919 /nfs/dbraw/zinc/99/99/19/833999919.db2.gz CNCYGSGCCUPADG-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO CN1CC[C@@H](N2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819852 834194845 /nfs/dbraw/zinc/19/48/45/834194845.db2.gz BEYUFTLRPLQOKG-RRFJBIMHSA-N 1 3 338.452 -0.672 20 0 EBADHO CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001330 834993817 /nfs/dbraw/zinc/99/38/17/834993817.db2.gz GXZSXFZMNKKNEY-HOTGVXAUSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001330 834993825 /nfs/dbraw/zinc/99/38/25/834993825.db2.gz GXZSXFZMNKKNEY-HOTGVXAUSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040786 835006363 /nfs/dbraw/zinc/00/63/63/835006363.db2.gz SJPNBLVDVUUJRC-CVEARBPZSA-N 1 3 343.468 -0.361 20 0 EBADHO COCCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040786 835006372 /nfs/dbraw/zinc/00/63/72/835006372.db2.gz SJPNBLVDVUUJRC-CVEARBPZSA-N 1 3 343.468 -0.361 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195677431 835271843 /nfs/dbraw/zinc/27/18/43/835271843.db2.gz PZGOQYFSXXUCDP-RBSFLKMASA-N 1 3 325.453 -0.084 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCN(C[C@H](O)COCCOC)CC1 ZINC001197707879 835599931 /nfs/dbraw/zinc/59/99/31/835599931.db2.gz PVTXYCXCWVHGQW-INIZCTEOSA-N 1 3 345.484 -0.114 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCN(C[C@H](O)COCCOC)CC1 ZINC001197707879 835599935 /nfs/dbraw/zinc/59/99/35/835599935.db2.gz PVTXYCXCWVHGQW-INIZCTEOSA-N 1 3 345.484 -0.114 20 0 EBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687895 836015444 /nfs/dbraw/zinc/01/54/44/836015444.db2.gz HUAWFYPCQITQOQ-CHWSQXEVSA-N 1 3 326.441 -0.448 20 0 EBADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200703376 836020545 /nfs/dbraw/zinc/02/05/45/836020545.db2.gz CBCILNNDAFXQGW-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)C1CCC1 ZINC001200705501 836021170 /nfs/dbraw/zinc/02/11/70/836021170.db2.gz XSBRKSFTMOKPRY-INIZCTEOSA-N 1 3 343.468 -0.313 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720936 836022855 /nfs/dbraw/zinc/02/28/55/836022855.db2.gz FCNWNQCRVHBJSZ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200720936 836022868 /nfs/dbraw/zinc/02/28/68/836022868.db2.gz FCNWNQCRVHBJSZ-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001200851159 836046741 /nfs/dbraw/zinc/04/67/41/836046741.db2.gz MKTRRTSATWOYFY-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001200851159 836046749 /nfs/dbraw/zinc/04/67/49/836046749.db2.gz MKTRRTSATWOYFY-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001200851255 836049017 /nfs/dbraw/zinc/04/90/17/836049017.db2.gz MKTRRTSATWOYFY-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001200851255 836049032 /nfs/dbraw/zinc/04/90/32/836049032.db2.gz MKTRRTSATWOYFY-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201226154 836113045 /nfs/dbraw/zinc/11/30/45/836113045.db2.gz VJAPHMYWQWQAHM-CABCVRRESA-N 1 3 340.468 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201226154 836113048 /nfs/dbraw/zinc/11/30/48/836113048.db2.gz VJAPHMYWQWQAHM-CABCVRRESA-N 1 3 340.468 -0.199 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1)N(C)C ZINC001201240177 836115508 /nfs/dbraw/zinc/11/55/08/836115508.db2.gz PHXBNVOACPSQCN-GFCCVEGCSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[C@H](NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201259513 836119005 /nfs/dbraw/zinc/11/90/05/836119005.db2.gz ARUJKAHYQBXJSJ-KBPBESRZSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262039 836120145 /nfs/dbraw/zinc/12/01/45/836120145.db2.gz ROUVZJMNNUWCKV-CHWSQXEVSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001201277600 836121797 /nfs/dbraw/zinc/12/17/97/836121797.db2.gz VEIMWAGGHIGOLK-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@@H](NC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335038 836130909 /nfs/dbraw/zinc/13/09/09/836130909.db2.gz MMHBSSQUMPNJFB-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001201404825 836141226 /nfs/dbraw/zinc/14/12/26/836141226.db2.gz XMNDCDVKOCGEIS-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481875 836150583 /nfs/dbraw/zinc/15/05/83/836150583.db2.gz HEIKFGRDGUKUFF-UONOGXRCSA-N 1 3 326.397 -0.833 20 0 EBADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201484639 836151709 /nfs/dbraw/zinc/15/17/09/836151709.db2.gz WZFWKPJKDZGKFN-OAHLLOKOSA-N 1 3 340.424 -0.178 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201569100 836160444 /nfs/dbraw/zinc/16/04/44/836160444.db2.gz MOLFJROVDQKLPJ-HIFRSBDPSA-N 1 3 340.468 -0.201 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201677431 836174530 /nfs/dbraw/zinc/17/45/30/836174530.db2.gz BHAQXNUKXTUXHQ-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201677430 836174545 /nfs/dbraw/zinc/17/45/45/836174545.db2.gz BHAQXNUKXTUXHQ-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001201701364 836179277 /nfs/dbraw/zinc/17/92/77/836179277.db2.gz LSXIITCQPPRTPU-KDJCLPLCSA-N 1 3 336.436 -0.824 20 0 EBADHO C[NH+](C)CCCCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001201908957 836213527 /nfs/dbraw/zinc/21/35/27/836213527.db2.gz SFNXVZNFDYCGOS-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201931624 836218085 /nfs/dbraw/zinc/21/80/85/836218085.db2.gz MSFPDWBSFOZHBR-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCCS(C)(=O)=O)C2)C1 ZINC001202058250 836244633 /nfs/dbraw/zinc/24/46/33/836244633.db2.gz IYPHLILKSIPRDD-KGLIPLIRSA-N 1 3 347.481 -0.810 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCCS(C)(=O)=O)C2)C1 ZINC001202058250 836244642 /nfs/dbraw/zinc/24/46/42/836244642.db2.gz IYPHLILKSIPRDD-KGLIPLIRSA-N 1 3 347.481 -0.810 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001202147721 836260836 /nfs/dbraw/zinc/26/08/36/836260836.db2.gz JWAFPTQGEDPCLL-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202140862 836261916 /nfs/dbraw/zinc/26/19/16/836261916.db2.gz HHXKGWJKINMRQX-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO NC(=O)CNC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC001202208158 836275175 /nfs/dbraw/zinc/27/51/75/836275175.db2.gz JRCUOGHTQPPIHI-HNNXBMFYSA-N 1 3 340.468 -0.055 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496487 836309344 /nfs/dbraw/zinc/30/93/44/836309344.db2.gz SSECNIHNPUPBDD-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001203006177 836381773 /nfs/dbraw/zinc/38/17/73/836381773.db2.gz VOIZLJUDACBQJL-UHFFFAOYSA-N 1 3 327.429 -0.636 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687671 836845013 /nfs/dbraw/zinc/84/50/13/836845013.db2.gz ICXKHPRFVKAQST-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688609 836846311 /nfs/dbraw/zinc/84/63/11/836846311.db2.gz RBEVIBAQHCHJED-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CS(=O)(=O)CCN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208055768 836937631 /nfs/dbraw/zinc/93/76/31/836937631.db2.gz FJJPQFJHFAEYQP-LSDHHAIUSA-N 1 3 343.493 -0.047 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208357891 837005224 /nfs/dbraw/zinc/00/52/24/837005224.db2.gz DLTNZPJOESYZMS-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208357891 837005235 /nfs/dbraw/zinc/00/52/35/837005235.db2.gz DLTNZPJOESYZMS-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001208414629 837026747 /nfs/dbraw/zinc/02/67/47/837026747.db2.gz UHHRUKYUILXCQZ-QWHCGFSZSA-N 1 3 334.486 -0.544 20 0 EBADHO C[C@@H](N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001209419508 837165569 /nfs/dbraw/zinc/16/55/69/837165569.db2.gz NDKIUTQEIPKVGG-YPMHNXCESA-N 1 3 339.440 -0.508 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001209669782 837188842 /nfs/dbraw/zinc/18/88/42/837188842.db2.gz UHHRUKYUILXCQZ-STQMWFEESA-N 1 3 334.486 -0.544 20 0 EBADHO CS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209836845 837205446 /nfs/dbraw/zinc/20/54/46/837205446.db2.gz NZQBYKZESMXHTE-LBPRGKRZSA-N 1 3 328.438 -0.033 20 0 EBADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314597 837269072 /nfs/dbraw/zinc/26/90/72/837269072.db2.gz BJDLAVBUNISCRA-GDBMZVCRSA-N 1 3 337.468 -0.023 20 0 EBADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338543 837273446 /nfs/dbraw/zinc/27/34/46/837273446.db2.gz FYZZAGTTXLFBNM-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210751150 837328448 /nfs/dbraw/zinc/32/84/48/837328448.db2.gz ULGQXUSXCGSSFW-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210812185 837333155 /nfs/dbraw/zinc/33/31/55/837333155.db2.gz UJPNPLOURKDAAR-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210812035 837333186 /nfs/dbraw/zinc/33/31/86/837333186.db2.gz SZYPXOVEMGQYIT-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210810830 837333286 /nfs/dbraw/zinc/33/32/86/837333286.db2.gz DVYVYWJKMRXUEP-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211025247 837370631 /nfs/dbraw/zinc/37/06/31/837370631.db2.gz HCCDPFNUZDLYKU-FVQBIDKESA-N 1 3 340.468 -0.473 20 0 EBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211025247 837370641 /nfs/dbraw/zinc/37/06/41/837370641.db2.gz HCCDPFNUZDLYKU-FVQBIDKESA-N 1 3 340.468 -0.473 20 0 EBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001319561165 838150312 /nfs/dbraw/zinc/15/03/12/838150312.db2.gz UAKIOKNYPJFUMN-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320818796 838843228 /nfs/dbraw/zinc/84/32/28/838843228.db2.gz HHWCLEZMCCUGBE-IHRRRGAJSA-N 1 3 338.452 -0.040 20 0 EBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320818796 838843240 /nfs/dbraw/zinc/84/32/40/838843240.db2.gz HHWCLEZMCCUGBE-IHRRRGAJSA-N 1 3 338.452 -0.040 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320840491 838846623 /nfs/dbraw/zinc/84/66/23/838846623.db2.gz KZRWBYSNPAVBQV-ZDUSSCGKSA-N 1 3 341.456 -0.388 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320840491 838846635 /nfs/dbraw/zinc/84/66/35/838846635.db2.gz KZRWBYSNPAVBQV-ZDUSSCGKSA-N 1 3 341.456 -0.388 20 0 EBADHO CN(CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCCN1C)S(C)(=O)=O ZINC001321121117 838911930 /nfs/dbraw/zinc/91/19/30/838911930.db2.gz QNANRHAEQDDPIX-GJBLVYBDSA-N 1 3 346.497 -0.376 20 0 EBADHO CN(CCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1C ZINC001322649325 839226562 /nfs/dbraw/zinc/22/65/62/839226562.db2.gz UXMWDOAILBIXKF-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001324237790 839613216 /nfs/dbraw/zinc/61/32/16/839613216.db2.gz UPJZRLYBBGRBOS-ZDUSSCGKSA-N 1 3 333.392 -0.318 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNCC(=O)N1CCC1 ZINC001326022942 840006545 /nfs/dbraw/zinc/00/65/45/840006545.db2.gz OFJLLVUCOPTPCP-HNNXBMFYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNCC(=O)N1CCC1 ZINC001326022942 840006554 /nfs/dbraw/zinc/00/65/54/840006554.db2.gz OFJLLVUCOPTPCP-HNNXBMFYSA-N 1 3 340.468 -0.498 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC001326993384 840264634 /nfs/dbraw/zinc/26/46/34/840264634.db2.gz DZPBCAMQOCDWEW-HUUCEWRRSA-N 1 3 342.484 -0.178 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(OCCC[NH2+]CC(N)=O)CC1 ZINC001329786013 841019689 /nfs/dbraw/zinc/01/96/89/841019689.db2.gz HWJUWNCDPUUSEE-CQSZACIVSA-N 1 3 326.441 -0.447 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001332045033 841557820 /nfs/dbraw/zinc/55/78/20/841557820.db2.gz CAKULTQSDFMMLO-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566215 841672888 /nfs/dbraw/zinc/67/28/88/841672888.db2.gz MPLRRGRQQJWISD-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CCN1CCN(CCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001332974515 841773468 /nfs/dbraw/zinc/77/34/68/841773468.db2.gz CJLLIIWROZHNBK-QHCPKHFHSA-N 1 3 344.525 -0.369 20 0 EBADHO C[C@H](C(=O)NCCCCC[NH+]1CCNCC1)N1CCN(C)CC1 ZINC001342679512 843174346 /nfs/dbraw/zinc/17/43/46/843174346.db2.gz PYQLNITXEFENQB-MRXNPFEDSA-N 1 3 325.501 -0.186 20 0 EBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001344775899 843333484 /nfs/dbraw/zinc/33/34/84/843333484.db2.gz ZSWYMCUSCSQTSP-SOUVJXGZSA-N 1 3 338.452 -0.624 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001345958308 843465735 /nfs/dbraw/zinc/46/57/35/843465735.db2.gz JITOPEBMQMMZIR-ZNMIVQPWSA-N 1 3 339.484 -0.770 20 0 EBADHO CCN(C(=O)C(=O)NCCCCN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC001350029348 843959400 /nfs/dbraw/zinc/95/94/00/843959400.db2.gz RMLFRTDNDGIMOI-HNNXBMFYSA-N 1 3 339.484 -0.659 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691316726 1125850184 /nfs/dbraw/zinc/85/01/84/1125850184.db2.gz AHXGHQUBRPVQMG-GFCCVEGCSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001691316726 1125850185 /nfs/dbraw/zinc/85/01/85/1125850185.db2.gz AHXGHQUBRPVQMG-GFCCVEGCSA-N 1 3 327.429 -0.637 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118784 1125925699 /nfs/dbraw/zinc/92/56/99/1125925699.db2.gz LTXVRHCABKYEFF-LSDHHAIUSA-N 1 3 337.468 -0.209 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001481118784 1125925700 /nfs/dbraw/zinc/92/57/00/1125925700.db2.gz LTXVRHCABKYEFF-LSDHHAIUSA-N 1 3 337.468 -0.209 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481277569 1125962754 /nfs/dbraw/zinc/96/27/54/1125962754.db2.gz TYKONCRLOFMDLA-QWHCGFSZSA-N 1 3 343.472 -0.145 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315176 1125971161 /nfs/dbraw/zinc/97/11/61/1125971161.db2.gz RGWVGDCHOQXCOW-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481315176 1125971164 /nfs/dbraw/zinc/97/11/64/1125971164.db2.gz RGWVGDCHOQXCOW-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO O=C(NCC[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455605 1125993379 /nfs/dbraw/zinc/99/33/79/1125993379.db2.gz BIHPRWCKHRWLOU-UONOGXRCSA-N 1 3 348.447 -0.284 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481507039 1126005466 /nfs/dbraw/zinc/00/54/66/1126005466.db2.gz PVEHLLQFEKKPEJ-ZIAGYGMSSA-N 1 3 346.497 -0.732 20 0 EBADHO CN(CCNS(C)(=O)=O)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481507039 1126005469 /nfs/dbraw/zinc/00/54/69/1126005469.db2.gz PVEHLLQFEKKPEJ-ZIAGYGMSSA-N 1 3 346.497 -0.732 20 0 EBADHO C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001482268717 1126115664 /nfs/dbraw/zinc/11/56/64/1126115664.db2.gz ZXZPYNNZOCHZFP-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001482532786 1126191836 /nfs/dbraw/zinc/19/18/36/1126191836.db2.gz IJHVNIDQIPPXHE-GFCCVEGCSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001482840094 1126297258 /nfs/dbraw/zinc/29/72/58/1126297258.db2.gz QQKWHAZSTVNWOJ-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001648990202 1126317741 /nfs/dbraw/zinc/31/77/41/1126317741.db2.gz IZZMVBVEBPTJFH-QGZVFWFLSA-N 1 3 337.468 -0.019 20 0 EBADHO C[C@H]1CN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001691603272 1126324871 /nfs/dbraw/zinc/32/48/71/1126324871.db2.gz XVGMTEBZTAJHIO-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H]1CN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001691603272 1126324872 /nfs/dbraw/zinc/32/48/72/1126324872.db2.gz XVGMTEBZTAJHIO-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001483145566 1126346582 /nfs/dbraw/zinc/34/65/82/1126346582.db2.gz QUFGXSFBCDIVFY-MNOVXSKESA-N 1 3 325.413 -0.708 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001483234384 1126368389 /nfs/dbraw/zinc/36/83/89/1126368389.db2.gz QTCVIARBVOCUDQ-NSHDSACASA-N 1 3 339.440 -0.447 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483234530 1126369083 /nfs/dbraw/zinc/36/90/83/1126369083.db2.gz SMWBRVAHFGWJDM-RYUDHWBXSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284148 1126413606 /nfs/dbraw/zinc/41/36/06/1126413606.db2.gz BXNDCURFKWMWOG-NWDGAFQWSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483417535 1126426276 /nfs/dbraw/zinc/42/62/76/1126426276.db2.gz MHNYTFMHVUJDDV-KGLIPLIRSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@H](CN(C)CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483417535 1126426278 /nfs/dbraw/zinc/42/62/78/1126426278.db2.gz MHNYTFMHVUJDDV-KGLIPLIRSA-N 1 3 348.513 -0.344 20 0 EBADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566795 1126435497 /nfs/dbraw/zinc/43/54/97/1126435497.db2.gz UGIJNIBVJDNSJQ-QWHCGFSZSA-N 1 3 336.436 -0.240 20 0 EBADHO C[C@@]1(C[NH2+]CCN2C(=O)CCC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484114164 1126506750 /nfs/dbraw/zinc/50/67/50/1126506750.db2.gz RHXGVGSXDJMWBE-KRWDZBQOSA-N 1 3 347.419 -0.071 20 0 EBADHO CCn1cc(CCN2CC[C@](O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001484252286 1126544910 /nfs/dbraw/zinc/54/49/10/1126544910.db2.gz UIPJZZBVEHBNQM-WMZOPIPTSA-N 1 3 349.479 -0.050 20 0 EBADHO CCn1cc(CCN2CC[C@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001484252286 1126544911 /nfs/dbraw/zinc/54/49/11/1126544911.db2.gz UIPJZZBVEHBNQM-WMZOPIPTSA-N 1 3 349.479 -0.050 20 0 EBADHO O=C(N(CCO)CCN[C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001484486124 1126595885 /nfs/dbraw/zinc/59/58/85/1126595885.db2.gz HIATXNOYKSVXOI-CQSZACIVSA-N 1 3 338.452 -0.696 20 0 EBADHO C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499744 1126598976 /nfs/dbraw/zinc/59/89/76/1126598976.db2.gz DGKYKKOXAIJMHQ-KGLIPLIRSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499744 1126598977 /nfs/dbraw/zinc/59/89/77/1126598977.db2.gz DGKYKKOXAIJMHQ-KGLIPLIRSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692935 1126620076 /nfs/dbraw/zinc/62/00/76/1126620076.db2.gz QEYLIXIKKYRPCJ-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(=O)NCC)C1 ZINC001484678316 1126618821 /nfs/dbraw/zinc/61/88/21/1126618821.db2.gz KPENFQJJLOMABI-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(=O)NCC)C1 ZINC001484678316 1126618822 /nfs/dbraw/zinc/61/88/22/1126618822.db2.gz KPENFQJJLOMABI-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001484691031 1126619514 /nfs/dbraw/zinc/61/95/14/1126619514.db2.gz UFYMWBUWBXUJHS-CQSZACIVSA-N 1 3 335.408 -0.608 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692904 1126620046 /nfs/dbraw/zinc/62/00/46/1126620046.db2.gz PWWCQZYBANAULA-CABCVRRESA-N 1 3 336.440 -0.563 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001484903364 1126651918 /nfs/dbraw/zinc/65/19/18/1126651918.db2.gz ABZSNNKUGXORRE-KGLIPLIRSA-N 1 3 325.457 -0.210 20 0 EBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484887138 1126649148 /nfs/dbraw/zinc/64/91/48/1126649148.db2.gz FJSKYQWYJSIMIP-QWRGUYRKSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484887137 1126649207 /nfs/dbraw/zinc/64/92/07/1126649207.db2.gz FJSKYQWYJSIMIP-MNOVXSKESA-N 1 3 325.413 -0.898 20 0 EBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001484963243 1126656822 /nfs/dbraw/zinc/65/68/22/1126656822.db2.gz NCVBIJULBWKHCU-ZDUSSCGKSA-N 1 3 326.441 -0.840 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC(O)(CN[C@H](C)C(N)=O)CC1 ZINC001484963146 1126656907 /nfs/dbraw/zinc/65/69/07/1126656907.db2.gz MSNPIWJHONKCDC-CYBMUJFWSA-N 1 3 328.457 -0.465 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC(O)(CN[C@H](C)C(N)=O)CC1 ZINC001484963146 1126656908 /nfs/dbraw/zinc/65/69/08/1126656908.db2.gz MSNPIWJHONKCDC-CYBMUJFWSA-N 1 3 328.457 -0.465 20 0 EBADHO CCNC(=O)CNCC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484959313 1126659224 /nfs/dbraw/zinc/65/92/24/1126659224.db2.gz OLASQKNWUSUSBU-UHFFFAOYSA-N 1 3 340.468 -0.593 20 0 EBADHO CNC(=O)[C@@H](C)NCC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484959787 1126659301 /nfs/dbraw/zinc/65/93/01/1126659301.db2.gz URWBBZQIPQFXBW-CYBMUJFWSA-N 1 3 328.457 -0.594 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC001485021166 1126663811 /nfs/dbraw/zinc/66/38/11/1126663811.db2.gz JZQOTFXXTJFNRU-KGLIPLIRSA-N 1 3 333.448 -0.010 20 0 EBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001649041070 1126862177 /nfs/dbraw/zinc/86/21/77/1126862177.db2.gz LXSFMXFLDANKEN-UONOGXRCSA-N 1 3 327.425 -0.116 20 0 EBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833577 1126888589 /nfs/dbraw/zinc/88/85/89/1126888589.db2.gz JORAAYOJEGKURA-UONOGXRCSA-N 1 3 331.482 -0.191 20 0 EBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNCCS(C)(=O)=O)C1CC1 ZINC001485833577 1126888596 /nfs/dbraw/zinc/88/85/96/1126888596.db2.gz JORAAYOJEGKURA-UONOGXRCSA-N 1 3 331.482 -0.191 20 0 EBADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)NCC(=O)NC(N)=O ZINC001485957297 1126938757 /nfs/dbraw/zinc/93/87/57/1126938757.db2.gz BPKMUAHBURWBQH-ZDUSSCGKSA-N 1 3 341.456 -0.116 20 0 EBADHO C[C@@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001486091192 1127030923 /nfs/dbraw/zinc/03/09/23/1127030923.db2.gz GLXARXSACIOULG-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125328 1127041752 /nfs/dbraw/zinc/04/17/52/1127041752.db2.gz CWZXHUYDKCTCDO-OCCSQVGLSA-N 1 3 336.440 -0.617 20 0 EBADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125329 1127042054 /nfs/dbraw/zinc/04/20/54/1127042054.db2.gz CWZXHUYDKCTCDO-TZMCWYRMSA-N 1 3 336.440 -0.617 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486127098 1127048908 /nfs/dbraw/zinc/04/89/08/1127048908.db2.gz HKALKHBPZHDYQC-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486277916 1127073682 /nfs/dbraw/zinc/07/36/82/1127073682.db2.gz JVOATDBJAQPMOJ-HOTGVXAUSA-N 1 3 335.452 -0.329 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001486317383 1127119485 /nfs/dbraw/zinc/11/94/85/1127119485.db2.gz HEUKBBKSBUIVIU-HIFRSBDPSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)c1nc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001486317339 1127119787 /nfs/dbraw/zinc/11/97/87/1127119787.db2.gz NUICZIDBTVOCTD-OLZOCXBDSA-N 1 3 338.456 -0.211 20 0 EBADHO CC(C)c1nc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001486317339 1127119788 /nfs/dbraw/zinc/11/97/88/1127119788.db2.gz NUICZIDBTVOCTD-OLZOCXBDSA-N 1 3 338.456 -0.211 20 0 EBADHO CCCN(C)CC(=O)N1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001487034188 1127385834 /nfs/dbraw/zinc/38/58/34/1127385834.db2.gz NRIBTWGICHUETH-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CCCN(C)CC(=O)N1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001487034188 1127385837 /nfs/dbraw/zinc/38/58/37/1127385837.db2.gz NRIBTWGICHUETH-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001410121500 1127585108 /nfs/dbraw/zinc/58/51/08/1127585108.db2.gz NYUSWPJYKAHFLT-XPCVCDNBSA-N 1 3 331.420 -0.167 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001410121500 1127585117 /nfs/dbraw/zinc/58/51/17/1127585117.db2.gz NYUSWPJYKAHFLT-XPCVCDNBSA-N 1 3 331.420 -0.167 20 0 EBADHO CCCN(C)CC(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001410177186 1127630987 /nfs/dbraw/zinc/63/09/87/1127630987.db2.gz INUNSHYYNXFUMS-CQSZACIVSA-N 1 3 340.468 -0.199 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001410421736 1127710163 /nfs/dbraw/zinc/71/01/63/1127710163.db2.gz HJQHHPJFUDNSTB-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001411039182 1127983972 /nfs/dbraw/zinc/98/39/72/1127983972.db2.gz GCAVSIBXWQGHMO-KGLIPLIRSA-N 1 3 340.468 -0.500 20 0 EBADHO CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001411101879 1128016634 /nfs/dbraw/zinc/01/66/34/1128016634.db2.gz SFNIZIJVSWWYDB-OLZOCXBDSA-N 1 3 326.441 -0.842 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(CNC[C@@H]4CCOC4)nn3)C2)C1 ZINC001093343795 1128330858 /nfs/dbraw/zinc/33/08/58/1128330858.db2.gz QWAVMDJVRUKNRH-KBPBESRZSA-N 1 3 348.451 -0.261 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(CNC[C@@H]4CCOC4)nn3)C2)C1 ZINC001093343795 1128330862 /nfs/dbraw/zinc/33/08/62/1128330862.db2.gz QWAVMDJVRUKNRH-KBPBESRZSA-N 1 3 348.451 -0.261 20 0 EBADHO CC[C@@H](C(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1)N(C)C ZINC001093407570 1128339313 /nfs/dbraw/zinc/33/93/13/1128339313.db2.gz DRQFTLKKODMBEH-UUCFBXCCSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001489579639 1129016279 /nfs/dbraw/zinc/01/62/79/1129016279.db2.gz PYFJUEPFUOGCOC-KFWWJZLASA-N 1 3 340.468 -0.501 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480550467 1131389520 /nfs/dbraw/zinc/38/95/20/1131389520.db2.gz ZHYJAKXHPTYHTC-CHWSQXEVSA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001480550467 1131389528 /nfs/dbraw/zinc/38/95/28/1131389528.db2.gz ZHYJAKXHPTYHTC-CHWSQXEVSA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001412918558 1129782613 /nfs/dbraw/zinc/78/26/13/1129782613.db2.gz DLVRIOYDYNSGRN-KGLIPLIRSA-N 1 3 340.468 -0.452 20 0 EBADHO COC(=O)c1cn(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1 ZINC001413266361 1129974320 /nfs/dbraw/zinc/97/43/20/1129974320.db2.gz IWASGUCYKMVHLE-LBPRGKRZSA-N 1 3 340.428 -0.547 20 0 EBADHO COC(=O)c1cn(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1 ZINC001413266361 1129974322 /nfs/dbraw/zinc/97/43/22/1129974322.db2.gz IWASGUCYKMVHLE-LBPRGKRZSA-N 1 3 340.428 -0.547 20 0 EBADHO CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001413283907 1129988890 /nfs/dbraw/zinc/98/88/90/1129988890.db2.gz BUWJCRXXJZMYKP-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001490958222 1130273867 /nfs/dbraw/zinc/27/38/67/1130273867.db2.gz RPMYJVSEQVHJGS-HDJSIYSDSA-N 1 3 346.497 -0.401 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(CO)COC3)CC2)CC1 ZINC001364216602 1132240808 /nfs/dbraw/zinc/24/08/08/1132240808.db2.gz NJYHLPHSYBQBHJ-UHFFFAOYSA-N 1 3 340.468 -0.147 20 0 EBADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC001365325453 1132623471 /nfs/dbraw/zinc/62/34/71/1132623471.db2.gz STWRNECKTJURGO-OAGGEKHMSA-N 1 3 341.500 -0.281 20 0 EBADHO C[NH+]1CCC(CC(=O)NC[C@H](NCC(=O)NC(N)=O)C2CC2)CC1 ZINC001366053513 1132983212 /nfs/dbraw/zinc/98/32/12/1132983212.db2.gz AKXWLOVBQXKCKH-ZDUSSCGKSA-N 1 3 339.440 -0.602 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001366092765 1132999596 /nfs/dbraw/zinc/99/95/96/1132999596.db2.gz WPQCIINTONAIAB-SOUVJXGZSA-N 1 3 338.452 -0.746 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001366098677 1133003490 /nfs/dbraw/zinc/00/34/90/1133003490.db2.gz LABFDMQXRKKLTI-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001366099673 1133004663 /nfs/dbraw/zinc/00/46/63/1133004663.db2.gz SDSXFNODMVIOIS-KGLIPLIRSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)N(C)C ZINC001366120108 1133015419 /nfs/dbraw/zinc/01/54/19/1133015419.db2.gz VAFLOABPFPWWHM-ZQDZILKHSA-N 1 3 340.468 -0.189 20 0 EBADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001366128226 1133018459 /nfs/dbraw/zinc/01/84/59/1133018459.db2.gz WYLOKDNDXYRESC-SRVKXCTJSA-N 1 3 341.456 -0.216 20 0 EBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CCC1 ZINC001366148699 1133027147 /nfs/dbraw/zinc/02/71/47/1133027147.db2.gz IEFAFCDXSQTBTO-BETUJISGSA-N 1 3 346.497 -0.401 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001366170710 1133037436 /nfs/dbraw/zinc/03/74/36/1133037436.db2.gz YPESVLOWEGOBRO-TXEJJXNPSA-N 1 3 327.429 -0.589 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N1CCOCC1)[NH+](C)C ZINC001366327264 1133100428 /nfs/dbraw/zinc/10/04/28/1133100428.db2.gz UGLQBVBLGGGILO-DZGCQCFKSA-N 1 3 328.457 -0.474 20 0 EBADHO CCN1CC[C@H](NCCN(C)C(=O)COC2CC[NH+](C)CC2)C1=O ZINC001366768162 1133289698 /nfs/dbraw/zinc/28/96/98/1133289698.db2.gz ISBFHKHEAPNPLU-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830755 1133309521 /nfs/dbraw/zinc/30/95/21/1133309521.db2.gz AFLMJLGIVMRYJT-STQMWFEESA-N 1 3 341.456 -0.260 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001367249424 1133515653 /nfs/dbraw/zinc/51/56/53/1133515653.db2.gz RSCYUUYARFNBSH-STQMWFEESA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CN[C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001367375407 1133569450 /nfs/dbraw/zinc/56/94/50/1133569450.db2.gz JGBZPMLMRRPBAE-RYUDHWBXSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367381827 1133571856 /nfs/dbraw/zinc/57/18/56/1133571856.db2.gz MLPIWOPXOOFASC-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367381827 1133571861 /nfs/dbraw/zinc/57/18/61/1133571861.db2.gz MLPIWOPXOOFASC-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001367617020 1133698553 /nfs/dbraw/zinc/69/85/53/1133698553.db2.gz BXERIDSVYMMEHF-VHSXEESVSA-N 1 3 338.330 -0.359 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001367617017 1133699216 /nfs/dbraw/zinc/69/92/16/1133699216.db2.gz BXERIDSVYMMEHF-UWVGGRQHSA-N 1 3 338.330 -0.359 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001368109865 1133942020 /nfs/dbraw/zinc/94/20/20/1133942020.db2.gz SQNGIOASCPPERQ-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CCCC1 ZINC001368130501 1133952356 /nfs/dbraw/zinc/95/23/56/1133952356.db2.gz CCZBHZRAGGBIGN-LBPRGKRZSA-N 1 3 327.429 -0.602 20 0 EBADHO COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001368241407 1134011192 /nfs/dbraw/zinc/01/11/92/1134011192.db2.gz QLDJNSHRSNWQKJ-CYBMUJFWSA-N 1 3 340.424 -0.477 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368350401 1134159390 /nfs/dbraw/zinc/15/93/90/1134159390.db2.gz KQDXWLNLTAXSOT-NWDGAFQWSA-N 1 3 327.429 -0.794 20 0 EBADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001368452497 1134237657 /nfs/dbraw/zinc/23/76/57/1134237657.db2.gz BLNZYDOWSLBVNI-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001368505981 1134258051 /nfs/dbraw/zinc/25/80/51/1134258051.db2.gz CPGSMJNBEHKMSI-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368532534 1134278577 /nfs/dbraw/zinc/27/85/77/1134278577.db2.gz ASNGVHFHDNNEMR-LPWJVIDDSA-N 1 3 339.440 -0.462 20 0 EBADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001368632654 1134345439 /nfs/dbraw/zinc/34/54/39/1134345439.db2.gz GHMVHSAIEFRLOS-OKILXGFUSA-N 1 3 340.468 -0.140 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]CCn2cncn2)C1 ZINC001368636007 1134347810 /nfs/dbraw/zinc/34/78/10/1134347810.db2.gz YZKWLEDTHNILFZ-INIZCTEOSA-N 1 3 338.456 -0.437 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001368689274 1134389622 /nfs/dbraw/zinc/38/96/22/1134389622.db2.gz QWADEDMUVIWHIA-KBPBESRZSA-N 1 3 340.468 -0.322 20 0 EBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001368738481 1134414937 /nfs/dbraw/zinc/41/49/37/1134414937.db2.gz YKJQNGJXJVQMOR-TUAOUCFPSA-N 1 3 329.445 -0.345 20 0 EBADHO COC[C@H](O)CN1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001368773215 1134434005 /nfs/dbraw/zinc/43/40/05/1134434005.db2.gz SZOFAKJULPUNEL-CQSZACIVSA-N 1 3 341.452 -0.967 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001368783768 1134439835 /nfs/dbraw/zinc/43/98/35/1134439835.db2.gz YPZPMEUBYJAOHI-STQMWFEESA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001368889184 1134475865 /nfs/dbraw/zinc/47/58/65/1134475865.db2.gz NVUZMVUKJFAMNM-OLZOCXBDSA-N 1 3 328.457 -0.332 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158417 1134599238 /nfs/dbraw/zinc/59/92/38/1134599238.db2.gz JGKQQNGYNPBYIO-ZIAGYGMSSA-N 1 3 338.452 -0.447 20 0 EBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001369158217 1134599534 /nfs/dbraw/zinc/59/95/34/1134599534.db2.gz VWMDSJPUNHKLQC-JSGCOSHPSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001369248760 1134629390 /nfs/dbraw/zinc/62/93/90/1134629390.db2.gz BSDUKFPNERLVMX-GHMZBOCLSA-N 1 3 327.429 -0.509 20 0 EBADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)NC(N)=O ZINC001369291104 1134642280 /nfs/dbraw/zinc/64/22/80/1134642280.db2.gz DRHXXIFPVQQMFK-LBPRGKRZSA-N 1 3 327.429 -0.506 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)NCc1cncs1 ZINC001369381090 1134742505 /nfs/dbraw/zinc/74/25/05/1134742505.db2.gz ITADAKRHIXTEMY-CHWSQXEVSA-N 1 3 342.465 -0.322 20 0 EBADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCCS(C)(=O)=O ZINC001369438113 1134779180 /nfs/dbraw/zinc/77/91/80/1134779180.db2.gz CAVOQNOCNDRVLM-CYBMUJFWSA-N 1 3 343.493 -0.047 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455343 1134794082 /nfs/dbraw/zinc/79/40/82/1134794082.db2.gz IHGQFMRVJJYQAZ-RYUDHWBXSA-N 1 3 341.456 -0.263 20 0 EBADHO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001369475774 1134835513 /nfs/dbraw/zinc/83/55/13/1134835513.db2.gz SPPUESOSIKVOTE-OLZOCXBDSA-N 1 3 328.457 -0.644 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369482282 1134849480 /nfs/dbraw/zinc/84/94/80/1134849480.db2.gz SHKFOILSINZLFR-ZBFHGGJFSA-N 1 3 337.468 -0.021 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369482282 1134849485 /nfs/dbraw/zinc/84/94/85/1134849485.db2.gz SHKFOILSINZLFR-ZBFHGGJFSA-N 1 3 337.468 -0.021 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001369484231 1134853411 /nfs/dbraw/zinc/85/34/11/1134853411.db2.gz PTKVKORFRYPFLZ-OCCSQVGLSA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C)C1(C(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001370010685 1135172127 /nfs/dbraw/zinc/17/21/27/1135172127.db2.gz YMBWZXNDDMRIHU-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCCN(C)S(C)(=O)=O)C1 ZINC001370401499 1135335483 /nfs/dbraw/zinc/33/54/83/1135335483.db2.gz CXTKCJBWENXRAH-ZDUSSCGKSA-N 1 3 334.486 -0.590 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCCN(C)S(C)(=O)=O)C1 ZINC001370401499 1135335486 /nfs/dbraw/zinc/33/54/86/1135335486.db2.gz CXTKCJBWENXRAH-ZDUSSCGKSA-N 1 3 334.486 -0.590 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)N(C)C ZINC001370547126 1135403602 /nfs/dbraw/zinc/40/36/02/1135403602.db2.gz JUNNRXCVWWSFIY-AAVRWANBSA-N 1 3 331.482 -0.002 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC001370758038 1135600484 /nfs/dbraw/zinc/60/04/84/1135600484.db2.gz QZYAMBPSLXXPTG-KBPBESRZSA-N 1 3 342.484 -0.350 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001370857708 1135673954 /nfs/dbraw/zinc/67/39/54/1135673954.db2.gz YLZQVVDVQJVDLS-STQMWFEESA-N 1 3 341.456 -0.390 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001371512932 1135942402 /nfs/dbraw/zinc/94/24/02/1135942402.db2.gz PPXWIBILENUNEX-NWDGAFQWSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001371512932 1135942403 /nfs/dbraw/zinc/94/24/03/1135942403.db2.gz PPXWIBILENUNEX-NWDGAFQWSA-N 1 3 325.413 -0.755 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O)N(C)C ZINC001371529244 1135953851 /nfs/dbraw/zinc/95/38/51/1135953851.db2.gz IEKVOLGJUKJFSH-MCIONIFRSA-N 1 3 340.468 -0.644 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533470 1135957575 /nfs/dbraw/zinc/95/75/75/1135957575.db2.gz YOLHFOUXKLJPOZ-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CS(C)(=O)=O ZINC001371536166 1135959702 /nfs/dbraw/zinc/95/97/02/1135959702.db2.gz XEFBKVBYANRXDZ-NEPJUHHUSA-N 1 3 328.438 -0.177 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001371543277 1135964349 /nfs/dbraw/zinc/96/43/49/1135964349.db2.gz SGUVZVUGCOKEPE-IJEWVQPXSA-N 1 3 342.484 -0.398 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)COCC(F)(F)F ZINC001372220819 1136143563 /nfs/dbraw/zinc/14/35/63/1136143563.db2.gz PDALNONDMUYPPM-NEPJUHHUSA-N 1 3 341.374 -0.074 20 0 EBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)COCC(F)(F)F ZINC001372220819 1136143564 /nfs/dbraw/zinc/14/35/64/1136143564.db2.gz PDALNONDMUYPPM-NEPJUHHUSA-N 1 3 341.374 -0.074 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832891 1136569624 /nfs/dbraw/zinc/56/96/24/1136569624.db2.gz SBXCJCWVKGZVHE-NEPJUHHUSA-N 1 3 339.440 -0.589 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001373832891 1136569628 /nfs/dbraw/zinc/56/96/28/1136569628.db2.gz SBXCJCWVKGZVHE-NEPJUHHUSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)NC(N)=O ZINC001374044565 1136612907 /nfs/dbraw/zinc/61/29/07/1136612907.db2.gz BZCZNFLWDVBBAI-LLVKDONJSA-N 1 3 327.429 -0.602 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C)CC1 ZINC001374635872 1136765157 /nfs/dbraw/zinc/76/51/57/1136765157.db2.gz JBKLNVPOQCACTI-GFCCVEGCSA-N 1 3 328.457 -0.690 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNCc2ccccn2)CC1 ZINC001374657263 1136780058 /nfs/dbraw/zinc/78/00/58/1136780058.db2.gz ISAPGIVBFPXZFF-HNNXBMFYSA-N 1 3 336.436 -0.241 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001374672842 1136791667 /nfs/dbraw/zinc/79/16/67/1136791667.db2.gz AUHPGFRNGHHGQE-OLZOCXBDSA-N 1 3 337.424 -0.756 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCCC1 ZINC001374679994 1136797100 /nfs/dbraw/zinc/79/71/00/1136797100.db2.gz APLUVWKNERGLNZ-HNNXBMFYSA-N 1 3 342.484 -0.204 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)CNCc1nccs1 ZINC001374685985 1136801387 /nfs/dbraw/zinc/80/13/87/1136801387.db2.gz RQWJNHYHFILGCN-OLZOCXBDSA-N 1 3 342.465 -0.322 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001374719080 1136812928 /nfs/dbraw/zinc/81/29/28/1136812928.db2.gz GACWEEMCJNUFCF-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)C1(N(C)C)CCC1 ZINC001374769553 1136827467 /nfs/dbraw/zinc/82/74/67/1136827467.db2.gz DJOLDXALBOIWPD-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001374773012 1136828811 /nfs/dbraw/zinc/82/88/11/1136828811.db2.gz UKRTYPHIDLUGPD-YPMHNXCESA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001374773012 1136828815 /nfs/dbraw/zinc/82/88/15/1136828815.db2.gz UKRTYPHIDLUGPD-YPMHNXCESA-N 1 3 339.440 -0.317 20 0 EBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001374822529 1136842298 /nfs/dbraw/zinc/84/22/98/1136842298.db2.gz QTGVTYVFFZZPGP-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001374906935 1136870804 /nfs/dbraw/zinc/87/08/04/1136870804.db2.gz VWAYLDXERUQZEL-GMXVVIOVSA-N 1 3 341.456 -0.202 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCO1 ZINC000332192213 282122381 /nfs/dbraw/zinc/12/23/81/282122381.db2.gz QSCUVMXXKQKKAC-LJISPDSOSA-N 1 3 338.452 -0.639 20 0 EBADHO C[NH2+]CCOCCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000624395647 376209266 /nfs/dbraw/zinc/20/92/66/376209266.db2.gz ICFRFRAHXYGOOW-UHFFFAOYSA-N 1 3 347.485 -0.424 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000583999974 375973456 /nfs/dbraw/zinc/97/34/56/375973456.db2.gz HWMHCQIBQQXESL-DZGCQCFKSA-N 1 3 338.452 -0.624 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCSC1 ZINC000642768870 376087834 /nfs/dbraw/zinc/08/78/34/376087834.db2.gz MXEMNAXYHRFHSX-QCQGSNGOSA-N 1 3 340.493 -0.264 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CCO1 ZINC000642732161 376056298 /nfs/dbraw/zinc/05/62/98/376056298.db2.gz JQDFAJOWAOIKKC-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO Cc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000557052186 376157479 /nfs/dbraw/zinc/15/74/79/376157479.db2.gz HCVGXJGJBRANQK-UHFFFAOYSA-N 1 3 325.413 -0.449 20 0 EBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000557292605 376170104 /nfs/dbraw/zinc/17/01/04/376170104.db2.gz WQABBQVEPHNCET-QWHCGFSZSA-N 1 3 327.473 -0.820 20 0 EBADHO CNS(=O)(=O)CCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000408033297 376289856 /nfs/dbraw/zinc/28/98/56/376289856.db2.gz KEUDRXKXIZFUQV-GJZGRUSLSA-N 1 3 332.514 -0.117 20 0 EBADHO CNS(=O)(=O)CCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000408033297 376289860 /nfs/dbraw/zinc/28/98/60/376289860.db2.gz KEUDRXKXIZFUQV-GJZGRUSLSA-N 1 3 332.514 -0.117 20 0 EBADHO CC[NH2+]CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000561203000 376814711 /nfs/dbraw/zinc/81/47/11/376814711.db2.gz LMFKBMOXADYDST-UHFFFAOYSA-N 1 3 325.457 -0.064 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](CN)C1 ZINC000561234630 376817430 /nfs/dbraw/zinc/81/74/30/376817430.db2.gz QLZATFJNXXWZHM-UONOGXRCSA-N 1 3 341.500 -0.430 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000572712888 377065422 /nfs/dbraw/zinc/06/54/22/377065422.db2.gz JHOGZRJVKYHXIT-HUUCEWRRSA-N 1 3 340.468 -0.247 20 0 EBADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000569724297 377158116 /nfs/dbraw/zinc/15/81/16/377158116.db2.gz UUXMSAIRFKYTEL-STQMWFEESA-N 1 3 346.435 -0.477 20 0 EBADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000569724293 377158234 /nfs/dbraw/zinc/15/82/34/377158234.db2.gz UUXMSAIRFKYTEL-OLZOCXBDSA-N 1 3 346.435 -0.477 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CCN2C1=O ZINC000595272395 377988274 /nfs/dbraw/zinc/98/82/74/377988274.db2.gz YOJWJIIZUZZQIG-OCCSQVGLSA-N 1 3 335.383 -0.262 20 0 EBADHO COC(=O)CCN1CCC[C@@H](N2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890810 378032509 /nfs/dbraw/zinc/03/25/09/378032509.db2.gz FGMZADLBPSSRBQ-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO CCOC(=O)C[C@@H](O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000599328609 378230340 /nfs/dbraw/zinc/23/03/40/378230340.db2.gz AXNJCGZJVMAFIB-CQSZACIVSA-N 1 3 329.441 -0.310 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000563143419 378452654 /nfs/dbraw/zinc/45/26/54/378452654.db2.gz NAHZDGOCCUMCTJ-CHWSQXEVSA-N 1 3 327.473 -0.629 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)S(C)(=O)=O ZINC000338083610 378735048 /nfs/dbraw/zinc/73/50/48/378735048.db2.gz HXYPJOQQQXDFBG-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)S(C)(=O)=O ZINC000338083610 378735054 /nfs/dbraw/zinc/73/50/54/378735054.db2.gz HXYPJOQQQXDFBG-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)CC1=O ZINC000452794300 379096945 /nfs/dbraw/zinc/09/69/45/379096945.db2.gz GFAVFVSHNQUAKY-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000627297015 379142726 /nfs/dbraw/zinc/14/27/26/379142726.db2.gz ZNNDQCMTFNMZGG-MRXNPFEDSA-N 1 3 348.447 -0.323 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000629806368 379150476 /nfs/dbraw/zinc/15/04/76/379150476.db2.gz WHWWAZPWXKGAFQ-CQSZACIVSA-N 1 3 338.452 -0.351 20 0 EBADHO CN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@@H](CN)C1 ZINC000571539993 379213173 /nfs/dbraw/zinc/21/31/73/379213173.db2.gz SGVRAUCNLFQCRH-AWEZNQCLSA-N 1 3 325.457 -0.920 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627302719 379233611 /nfs/dbraw/zinc/23/36/11/379233611.db2.gz WPGUSUZIDLPUCZ-GXTWGEPZSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000642640921 379537709 /nfs/dbraw/zinc/53/77/09/379537709.db2.gz LUBMHOXZIRVDCJ-ZBFHGGJFSA-N 1 3 348.447 -0.143 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425689 379593454 /nfs/dbraw/zinc/59/34/54/379593454.db2.gz XFAYCLATZFUNLO-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000627358046 379561892 /nfs/dbraw/zinc/56/18/92/379561892.db2.gz ZAJYBZAKLOXACQ-AWEZNQCLSA-N 1 3 328.457 -0.471 20 0 EBADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486340 379634602 /nfs/dbraw/zinc/63/46/02/379634602.db2.gz YKUDMAGHDSPQLG-ZDUSSCGKSA-N 1 3 328.457 -0.343 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000627484558 379634712 /nfs/dbraw/zinc/63/47/12/379634712.db2.gz BBEKHIWOZHYIAL-AWEZNQCLSA-N 1 3 326.441 -0.445 20 0 EBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452409 379604102 /nfs/dbraw/zinc/60/41/02/379604102.db2.gz JYIRAGMBZBMELN-GFCCVEGCSA-N 1 3 326.441 -0.401 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000627457180 379608201 /nfs/dbraw/zinc/60/82/01/379608201.db2.gz NINSONPXVINBDW-LSDHHAIUSA-N 1 3 331.420 -0.013 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000627462990 379612164 /nfs/dbraw/zinc/61/21/64/379612164.db2.gz KKBLKHAOKGQOEA-UHFFFAOYSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@@H]1CC[N@H+](CCNS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632057177 379806484 /nfs/dbraw/zinc/80/64/84/379806484.db2.gz VYZYVZZTBXYQQN-OAHLLOKOSA-N 1 3 332.514 -0.115 20 0 EBADHO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)CCCN2CCN(C)CC2)C1 ZINC000632057177 379806492 /nfs/dbraw/zinc/80/64/92/379806492.db2.gz VYZYVZZTBXYQQN-OAHLLOKOSA-N 1 3 332.514 -0.115 20 0 EBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631901918 379771084 /nfs/dbraw/zinc/77/10/84/379771084.db2.gz BYAGKGRQKQCXCR-CQSZACIVSA-N 1 3 346.497 -0.411 20 0 EBADHO [NH3+]CCCOCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627212775 379840627 /nfs/dbraw/zinc/84/06/27/379840627.db2.gz BMUKWXOOMGNPOJ-UHFFFAOYSA-N 1 3 341.456 -0.699 20 0 EBADHO CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2COCCN2)CC1 ZINC000627190176 379826717 /nfs/dbraw/zinc/82/67/17/379826717.db2.gz XSCHFZOMNHWVHY-AWEZNQCLSA-N 1 3 327.473 -0.310 20 0 EBADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccncc2)CC1 ZINC000633077179 379929134 /nfs/dbraw/zinc/92/91/34/379929134.db2.gz WFAQYRBZTWJSRK-OKILXGFUSA-N 1 3 329.404 -0.307 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000633087168 379930883 /nfs/dbraw/zinc/93/08/83/379930883.db2.gz BZWYMLCVAVVXOA-OWCLPIDISA-N 1 3 349.479 -0.812 20 0 EBADHO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1=O ZINC000633106199 379940718 /nfs/dbraw/zinc/94/07/18/379940718.db2.gz LONQZPSLQPBXTG-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1=O ZINC000633106199 379940722 /nfs/dbraw/zinc/94/07/22/379940722.db2.gz LONQZPSLQPBXTG-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354706181 380086331 /nfs/dbraw/zinc/08/63/31/380086331.db2.gz HNONCJGTXGLHAC-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638098172 380132497 /nfs/dbraw/zinc/13/24/97/380132497.db2.gz KCALOEDJLQSDAK-MRXNPFEDSA-N 1 3 326.441 -0.623 20 0 EBADHO [NH3+]C[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCOC1 ZINC000638099274 380133501 /nfs/dbraw/zinc/13/35/01/380133501.db2.gz RPSLPTYYZMYWJK-KRWDZBQOSA-N 1 3 338.452 -0.492 20 0 EBADHO CN1CCN(CCNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638135505 380194302 /nfs/dbraw/zinc/19/43/02/380194302.db2.gz CAVOWFWYOUSBOS-QGZVFWFLSA-N 1 3 333.480 -0.191 20 0 EBADHO CN1CCN(CCNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638135505 380194307 /nfs/dbraw/zinc/19/43/07/380194307.db2.gz CAVOWFWYOUSBOS-QGZVFWFLSA-N 1 3 333.480 -0.191 20 0 EBADHO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000552988694 380313392 /nfs/dbraw/zinc/31/33/92/380313392.db2.gz OIEKKHYMNWGFFQ-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)CNCCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC000566232982 380455838 /nfs/dbraw/zinc/45/58/38/380455838.db2.gz GBWXYQYBUHVNQM-INMHGKMJSA-N 1 3 329.485 -0.107 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479768 380512536 /nfs/dbraw/zinc/51/25/36/380512536.db2.gz NAHSZBXSEJEHBE-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479768 380512541 /nfs/dbraw/zinc/51/25/41/380512541.db2.gz NAHSZBXSEJEHBE-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCN(C)CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363221364 380464704 /nfs/dbraw/zinc/46/47/04/380464704.db2.gz PXFMIDYUKLVWMW-INIZCTEOSA-N 1 3 341.500 -0.014 20 0 EBADHO COCCN(C)CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363221364 380464708 /nfs/dbraw/zinc/46/47/08/380464708.db2.gz PXFMIDYUKLVWMW-INIZCTEOSA-N 1 3 341.500 -0.014 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340506861 380522550 /nfs/dbraw/zinc/52/25/50/380522550.db2.gz LOTCMDAMJMEKMS-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340506861 380522554 /nfs/dbraw/zinc/52/25/54/380522554.db2.gz LOTCMDAMJMEKMS-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000567806196 380544063 /nfs/dbraw/zinc/54/40/63/380544063.db2.gz VNPCBNWDKJTMEC-UONOGXRCSA-N 1 3 328.457 -0.345 20 0 EBADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660689 380565093 /nfs/dbraw/zinc/56/50/93/380565093.db2.gz IBNLZDWVEFJAMJ-CABCVRRESA-N 1 3 340.468 -0.199 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CN1CCN(C)CC1 ZINC000340793878 380632129 /nfs/dbraw/zinc/63/21/29/380632129.db2.gz JRZGUZKPXPQLOV-HUUCEWRRSA-N 1 3 341.500 -0.558 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340794447 380632222 /nfs/dbraw/zinc/63/22/22/380632222.db2.gz HEUIIISNHDLWBA-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340794447 380632223 /nfs/dbraw/zinc/63/22/23/380632223.db2.gz HEUIIISNHDLWBA-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCOCC[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000572751985 380643958 /nfs/dbraw/zinc/64/39/58/380643958.db2.gz XYGNYCJNJIFAAJ-ZDUSSCGKSA-N 1 3 335.404 -0.189 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287553 380594082 /nfs/dbraw/zinc/59/40/82/380594082.db2.gz CNNRVVFXFVCCOH-DMFQKCBSSA-N 1 3 335.452 -0.154 20 0 EBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000573562528 380678245 /nfs/dbraw/zinc/67/82/45/380678245.db2.gz NESOUCOBAKEZPF-ZDUSSCGKSA-N 1 3 332.408 -0.702 20 0 EBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000573562527 380678486 /nfs/dbraw/zinc/67/84/86/380678486.db2.gz NESOUCOBAKEZPF-CYBMUJFWSA-N 1 3 332.408 -0.702 20 0 EBADHO N[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)C1CCC1 ZINC000574277186 380706598 /nfs/dbraw/zinc/70/65/98/380706598.db2.gz MNZJCYDYQMFPST-CYBMUJFWSA-N 1 3 326.422 -0.011 20 0 EBADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004071 380754500 /nfs/dbraw/zinc/75/45/00/380754500.db2.gz MAMYOGLYJGYFGQ-YHUYYLMFSA-N 1 3 343.431 -0.305 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000343016544 380770249 /nfs/dbraw/zinc/77/02/49/380770249.db2.gz URHXOHVPKKMRQG-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C(C)C ZINC000582350652 380720558 /nfs/dbraw/zinc/72/05/58/380720558.db2.gz LJDUFDXNNHEXHV-AWEZNQCLSA-N 1 3 327.473 -0.677 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577084737 380802363 /nfs/dbraw/zinc/80/23/63/380802363.db2.gz FZKKEETUDZHNRA-KGLIPLIRSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)C[C@@H](C)O1 ZINC000577179405 380809541 /nfs/dbraw/zinc/80/95/41/380809541.db2.gz WFPHWUFGIBDDCR-QBPKDAKJSA-N 1 3 329.485 -0.107 20 0 EBADHO C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000417428941 380885541 /nfs/dbraw/zinc/88/55/41/380885541.db2.gz MDEHQPRFBQKODE-MCIONIFRSA-N 1 3 325.457 -0.082 20 0 EBADHO COCCN(C)CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417443710 380889260 /nfs/dbraw/zinc/88/92/60/380889260.db2.gz ZQBBKBGJSCJAQD-AWEZNQCLSA-N 1 3 343.472 -0.406 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000376106999 380891109 /nfs/dbraw/zinc/89/11/09/380891109.db2.gz OHTZLGUWKOOESY-CHWSQXEVSA-N 1 3 335.456 -0.600 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000376106999 380891114 /nfs/dbraw/zinc/89/11/14/380891114.db2.gz OHTZLGUWKOOESY-CHWSQXEVSA-N 1 3 335.456 -0.600 20 0 EBADHO COC[C@@]1(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)CC[NH2+]C1 ZINC000563882636 380993054 /nfs/dbraw/zinc/99/30/54/380993054.db2.gz COUVPQAGYKNIRX-RHSMWYFYSA-N 1 3 340.468 -0.281 20 0 EBADHO CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000580725370 381032411 /nfs/dbraw/zinc/03/24/11/381032411.db2.gz QKOHCYHYSOWYQC-WDEREUQCSA-N 1 3 348.455 -0.316 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581657485 381092825 /nfs/dbraw/zinc/09/28/25/381092825.db2.gz RFVGJIMKRHQXMG-BFHYXJOUSA-N 1 3 338.452 -0.088 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642440184 381094962 /nfs/dbraw/zinc/09/49/62/381094962.db2.gz YDJLEFKGBLKVOL-MGPQQGTHSA-N 1 3 326.441 -0.448 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000581723906 381099420 /nfs/dbraw/zinc/09/94/20/381099420.db2.gz FARWNRVHMLKQGC-AWEZNQCLSA-N 1 3 338.456 -0.160 20 0 EBADHO C[C@@H](CO)N1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231577 381190074 /nfs/dbraw/zinc/19/00/74/381190074.db2.gz NSCZRYSZWBFZFL-LSDHHAIUSA-N 1 3 340.468 -0.688 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418759139 381261296 /nfs/dbraw/zinc/26/12/96/381261296.db2.gz FXXLDNYHIKUWOP-AWEZNQCLSA-N 1 3 341.456 -0.830 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418497629 381244859 /nfs/dbraw/zinc/24/48/59/381244859.db2.gz KKTNAFQESNDKDK-AWEZNQCLSA-N 1 3 325.457 -0.081 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](CN)C1 ZINC000418833977 381288389 /nfs/dbraw/zinc/28/83/89/381288389.db2.gz LLWFZVNYQSJKMI-KGLIPLIRSA-N 1 3 340.468 -0.058 20 0 EBADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643478756 381328127 /nfs/dbraw/zinc/32/81/27/381328127.db2.gz BLNZQNKCXFSOJG-OKILXGFUSA-N 1 3 329.404 -0.592 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000643478967 381328385 /nfs/dbraw/zinc/32/83/85/381328385.db2.gz WDSHQJSWAZEITM-HIFRSBDPSA-N 1 3 347.419 -0.695 20 0 EBADHO NCCNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418971092 381352186 /nfs/dbraw/zinc/35/21/86/381352186.db2.gz XGZXRWHXJODGMH-UHFFFAOYSA-N 1 3 334.420 -0.148 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419028023 381355783 /nfs/dbraw/zinc/35/57/83/381355783.db2.gz PRKYDZAYNWXUSR-QLFBSQMISA-N 1 3 342.484 -0.179 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419028023 381355790 /nfs/dbraw/zinc/35/57/90/381355790.db2.gz PRKYDZAYNWXUSR-QLFBSQMISA-N 1 3 342.484 -0.179 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033170 381358204 /nfs/dbraw/zinc/35/82/04/381358204.db2.gz XZQLGNZNHHCHBY-BARDWOONSA-N 1 3 340.468 -0.345 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033203 381358561 /nfs/dbraw/zinc/35/85/61/381358561.db2.gz YDXOKIVXZNWOKA-RDBSUJKOSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419242816 381408129 /nfs/dbraw/zinc/40/81/29/381408129.db2.gz RPHQBUMCTCPTHO-NWDGAFQWSA-N 1 3 326.441 -0.184 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419117953 381380453 /nfs/dbraw/zinc/38/04/53/381380453.db2.gz IBDPFJKTIWEPIG-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)CC(C)C ZINC000419128000 381388354 /nfs/dbraw/zinc/38/83/54/381388354.db2.gz UNFAPLLLSBMHRV-GJZGRUSLSA-N 1 3 342.484 -0.036 20 0 EBADHO [NH3+]CCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419169827 381390743 /nfs/dbraw/zinc/39/07/43/381390743.db2.gz VMTDCMLTOOSKLQ-MRXNPFEDSA-N 1 3 348.447 -0.141 20 0 EBADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419167602 381391698 /nfs/dbraw/zinc/39/16/98/381391698.db2.gz IZWYSYRFQUDFRG-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419167602 381391705 /nfs/dbraw/zinc/39/17/05/381391705.db2.gz IZWYSYRFQUDFRG-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCO1 ZINC000419222316 381401877 /nfs/dbraw/zinc/40/18/77/381401877.db2.gz BNXHXUCCTNLZJZ-HUUCEWRRSA-N 1 3 338.452 -0.447 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419679954 381481027 /nfs/dbraw/zinc/48/10/27/381481027.db2.gz QICHPUDBNIPCOJ-RRFJBIMHSA-N 1 3 340.468 -0.343 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419842023 381503487 /nfs/dbraw/zinc/50/34/87/381503487.db2.gz LCCJSOREBLBHHB-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCNC[C@H]2C)CC1 ZINC000419837269 381501046 /nfs/dbraw/zinc/50/10/46/381501046.db2.gz WLEAJOAQFZRMBM-LSDHHAIUSA-N 1 3 339.484 -0.804 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420098648 381540175 /nfs/dbraw/zinc/54/01/75/381540175.db2.gz AZJZKBYFRJQVNS-HUUCEWRRSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157767 381550389 /nfs/dbraw/zinc/55/03/89/381550389.db2.gz GQOSPAKIJSMQKV-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419992599 381527638 /nfs/dbraw/zinc/52/76/38/381527638.db2.gz FOGKJRXHHXNQJN-CQSZACIVSA-N 1 3 328.457 -0.471 20 0 EBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189272 381564838 /nfs/dbraw/zinc/56/48/38/381564838.db2.gz NYVVMWNZJSZQTQ-QLFBSQMISA-N 1 3 340.468 -0.140 20 0 EBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420192455 381566370 /nfs/dbraw/zinc/56/63/70/381566370.db2.gz BIALDHGYLXUDQQ-GJZGRUSLSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420204846 381568391 /nfs/dbraw/zinc/56/83/91/381568391.db2.gz DCSIJMDOWWXFGV-GJZGRUSLSA-N 1 3 338.452 -0.432 20 0 EBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420202053 381569007 /nfs/dbraw/zinc/56/90/07/381569007.db2.gz PBDXXWJRWJYOGL-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420202053 381569015 /nfs/dbraw/zinc/56/90/15/381569015.db2.gz PBDXXWJRWJYOGL-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000420204712 381569362 /nfs/dbraw/zinc/56/93/62/381569362.db2.gz SRJMFLSYNQFSJN-KBPBESRZSA-N 1 3 326.441 -0.671 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351489311 381631178 /nfs/dbraw/zinc/63/11/78/381631178.db2.gz IELOFNUGXHWEKG-INIZCTEOSA-N 1 3 326.485 -0.073 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351489311 381631184 /nfs/dbraw/zinc/63/11/84/381631184.db2.gz IELOFNUGXHWEKG-INIZCTEOSA-N 1 3 326.485 -0.073 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000571985860 381632653 /nfs/dbraw/zinc/63/26/53/381632653.db2.gz DPXMBINMFSEZNS-ZIAGYGMSSA-N 1 3 325.457 -0.922 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995922 381883928 /nfs/dbraw/zinc/88/39/28/381883928.db2.gz MYCMHFFWUJNVLD-ZDUSSCGKSA-N 1 3 325.457 -0.210 20 0 EBADHO CCNC(=O)N1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000120525329 381861719 /nfs/dbraw/zinc/86/17/19/381861719.db2.gz URKUBEYVLKKHCK-AWEZNQCLSA-N 1 3 342.488 -0.075 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643509794 381928330 /nfs/dbraw/zinc/92/83/30/381928330.db2.gz USESBDUFNJRDKP-UHFFFAOYSA-N 1 3 327.473 -0.722 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643509771 381928511 /nfs/dbraw/zinc/92/85/11/381928511.db2.gz SCFMJUCNMPGQHS-HUUCEWRRSA-N 1 3 339.484 -0.851 20 0 EBADHO CN(C)CCN1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626930471 381958268 /nfs/dbraw/zinc/95/82/68/381958268.db2.gz ANISQURASMMANO-UHFFFAOYSA-N 1 3 327.473 -0.181 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629558986 382224136 /nfs/dbraw/zinc/22/41/36/382224136.db2.gz ORJSRHPCPRZAJX-CVEARBPZSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000340268197 155849565 /nfs/dbraw/zinc/84/95/65/155849565.db2.gz QBLUZDUURRVTRN-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)CC1 ZINC000343683479 156156427 /nfs/dbraw/zinc/15/64/27/156156427.db2.gz WILVHCLZPLHKPW-IRXDYDNUSA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343683479 156156432 /nfs/dbraw/zinc/15/64/32/156156432.db2.gz WILVHCLZPLHKPW-IRXDYDNUSA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343683479 156156435 /nfs/dbraw/zinc/15/64/35/156156435.db2.gz WILVHCLZPLHKPW-IRXDYDNUSA-N 1 3 335.496 -0.385 20 0 EBADHO CN(C)CCN1C[C@@H](C(=O)N2CCN(CC[NH+](C)C)CC2)CC1=O ZINC000344419165 156224447 /nfs/dbraw/zinc/22/44/47/156224447.db2.gz NKSPNLXIZYMVNF-HNNXBMFYSA-N 1 3 339.484 -0.898 20 0 EBADHO O=C(NCC1CC[NH+](CCO)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000344634758 156250113 /nfs/dbraw/zinc/25/01/13/156250113.db2.gz CCIJBSZSRMYVIO-HNNXBMFYSA-N 1 3 338.452 -0.887 20 0 EBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344637713 156250222 /nfs/dbraw/zinc/25/02/22/156250222.db2.gz JHWRVBSEAFVAGF-HNNXBMFYSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000359388183 157316940 /nfs/dbraw/zinc/31/69/40/157316940.db2.gz MQMBGNLWWWYIEF-MRXNPFEDSA-N 1 3 325.501 -0.234 20 0 EBADHO CCS(=O)(=O)NCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525446501 418960916 /nfs/dbraw/zinc/96/09/16/418960916.db2.gz QAQJTUHMLDRWGK-UHFFFAOYSA-N 1 3 337.490 -0.940 20 0 EBADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C[NH3+] ZINC000653247361 419050750 /nfs/dbraw/zinc/05/07/50/419050750.db2.gz YJULXDPRXHIHNQ-MGPQQGTHSA-N 1 3 326.441 -0.781 20 0 EBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000410505319 419034085 /nfs/dbraw/zinc/03/40/85/419034085.db2.gz UXYSLRWDMHJPPK-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000410505319 419034088 /nfs/dbraw/zinc/03/40/88/419034088.db2.gz UXYSLRWDMHJPPK-HNNXBMFYSA-N 1 3 342.484 -0.177 20 0 EBADHO C[C@H]1C[C@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000650918260 419087797 /nfs/dbraw/zinc/08/77/97/419087797.db2.gz ATXIFJMAMSEKHR-UONOGXRCSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@H]1C[C@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000650918260 419087801 /nfs/dbraw/zinc/08/78/01/419087801.db2.gz ATXIFJMAMSEKHR-UONOGXRCSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000650918258 419089386 /nfs/dbraw/zinc/08/93/86/419089386.db2.gz ATXIFJMAMSEKHR-KBPBESRZSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000650918258 419089391 /nfs/dbraw/zinc/08/93/91/419089391.db2.gz ATXIFJMAMSEKHR-KBPBESRZSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@@H](CNC(=O)NCCN1CCCOCC1)C[NH+]1CCN(C)CC1 ZINC000187213476 419251295 /nfs/dbraw/zinc/25/12/95/419251295.db2.gz KIHWAIGZOBTNPE-INIZCTEOSA-N 1 3 341.500 -0.109 20 0 EBADHO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000652621838 419241290 /nfs/dbraw/zinc/24/12/90/419241290.db2.gz WJQWALWNVDYFQJ-UHFFFAOYSA-N 1 3 336.440 -0.159 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000652704082 419301366 /nfs/dbraw/zinc/30/13/66/419301366.db2.gz FLCVSJAMQPXLQS-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000346077516 419483337 /nfs/dbraw/zinc/48/33/37/419483337.db2.gz CJEFMIXZNHDYRN-KBPBESRZSA-N 1 3 340.468 -0.236 20 0 EBADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000519691063 419536916 /nfs/dbraw/zinc/53/69/16/419536916.db2.gz YWAVFPVBINVQIQ-INIZCTEOSA-N 1 3 345.447 -0.018 20 0 EBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419947956 419827561 /nfs/dbraw/zinc/82/75/61/419827561.db2.gz YFOOWAQFQABVRK-ZIAGYGMSSA-N 1 3 339.484 -0.676 20 0 EBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)CC1 ZINC000420025869 419837815 /nfs/dbraw/zinc/83/78/15/419837815.db2.gz ZKYBIPOIJORBNI-AWEZNQCLSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422977186 419915008 /nfs/dbraw/zinc/91/50/08/419915008.db2.gz WHLPXWJSFUEJIU-XQQFMLRXSA-N 1 3 326.441 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422977186 419915013 /nfs/dbraw/zinc/91/50/13/419915013.db2.gz WHLPXWJSFUEJIU-XQQFMLRXSA-N 1 3 326.441 -0.232 20 0 EBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423206531 419923430 /nfs/dbraw/zinc/92/34/30/419923430.db2.gz GAPXFRGNLSPKFN-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423266817 419930487 /nfs/dbraw/zinc/93/04/87/419930487.db2.gz SHMNWNYBDGAPPA-AWEZNQCLSA-N 1 3 328.457 -0.247 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCO1 ZINC000423226296 419926528 /nfs/dbraw/zinc/92/65/28/419926528.db2.gz QDZIARWSTTVXNU-HUUCEWRRSA-N 1 3 338.452 -0.351 20 0 EBADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@]2(O)CCN(C)C2)CC1 ZINC000496945446 420654410 /nfs/dbraw/zinc/65/44/10/420654410.db2.gz PRGMJAMFUFJRBC-HNNXBMFYSA-N 1 3 327.429 -0.212 20 0 EBADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000646667626 420681600 /nfs/dbraw/zinc/68/16/00/420681600.db2.gz YKJYSUSOVUYPNT-OGHNNQOOSA-N 1 3 340.468 -0.168 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649320068 420799813 /nfs/dbraw/zinc/79/98/13/420799813.db2.gz MXCMOIADKYFVPO-ZDUSSCGKSA-N 1 3 344.406 -0.002 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000654997597 420847579 /nfs/dbraw/zinc/84/75/79/420847579.db2.gz GAHXJAJKAHZTQA-KFWWJZLASA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000654997597 420847581 /nfs/dbraw/zinc/84/75/81/420847581.db2.gz GAHXJAJKAHZTQA-KFWWJZLASA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000654997598 420848003 /nfs/dbraw/zinc/84/80/03/420848003.db2.gz GAHXJAJKAHZTQA-KKUMJFAQSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000654997598 420848005 /nfs/dbraw/zinc/84/80/05/420848005.db2.gz GAHXJAJKAHZTQA-KKUMJFAQSA-N 1 3 340.468 -0.737 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658458450 420956679 /nfs/dbraw/zinc/95/66/79/420956679.db2.gz ZXUQMAGZBXHZDV-AWEZNQCLSA-N 1 3 328.457 -0.424 20 0 EBADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659617313 421007260 /nfs/dbraw/zinc/00/72/60/421007260.db2.gz UIPLOHVRERBGBQ-UHFFFAOYSA-N 1 3 335.452 -0.312 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659677065 421012882 /nfs/dbraw/zinc/01/28/82/421012882.db2.gz MOXQOEUZSYKSFP-BBRMVZONSA-N 1 3 348.447 -0.407 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000659704990 421016709 /nfs/dbraw/zinc/01/67/09/421016709.db2.gz UVNUVQSHRSOBGQ-ZDUSSCGKSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659698719 421017228 /nfs/dbraw/zinc/01/72/28/421017228.db2.gz KLYLHGVUDSGAAF-KGLIPLIRSA-N 1 3 328.457 -0.343 20 0 EBADHO CN1CCN(CCCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659697731 421017304 /nfs/dbraw/zinc/01/73/04/421017304.db2.gz DELCILDUBZPEPH-UHFFFAOYSA-N 1 3 339.484 -0.482 20 0 EBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659713020 421018587 /nfs/dbraw/zinc/01/85/87/421018587.db2.gz AAUZUNXDPVMEIU-HUUCEWRRSA-N 1 3 338.452 -0.386 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659725354 421023338 /nfs/dbraw/zinc/02/33/38/421023338.db2.gz ZSAYKFMLJDXINN-YUELXQCFSA-N 1 3 338.452 -0.530 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000659738614 421025109 /nfs/dbraw/zinc/02/51/09/421025109.db2.gz GVVIIYDAQGWRME-SOUVJXGZSA-N 1 3 348.451 -0.726 20 0 EBADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662938121 421111920 /nfs/dbraw/zinc/11/19/20/421111920.db2.gz UKMIBWVAOISMRZ-UHFFFAOYSA-N 1 3 338.452 -0.759 20 0 EBADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662938121 421111923 /nfs/dbraw/zinc/11/19/23/421111923.db2.gz UKMIBWVAOISMRZ-UHFFFAOYSA-N 1 3 338.452 -0.759 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972141 421119627 /nfs/dbraw/zinc/11/96/27/421119627.db2.gz IVRRNLDFMPXTOY-HIFRSBDPSA-N 1 3 328.457 -0.345 20 0 EBADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CN(C)CCN1C ZINC000664084007 421148278 /nfs/dbraw/zinc/14/82/78/421148278.db2.gz YOQQHGQKSWGUKC-OAHLLOKOSA-N 1 3 328.505 -0.585 20 0 EBADHO CN(C)CCOCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664732394 421161217 /nfs/dbraw/zinc/16/12/17/421161217.db2.gz WKFXXKDRNUJJSO-OAHLLOKOSA-N 1 3 328.457 -0.195 20 0 EBADHO CN(C)CCOCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664732394 421161223 /nfs/dbraw/zinc/16/12/23/421161223.db2.gz WKFXXKDRNUJJSO-OAHLLOKOSA-N 1 3 328.457 -0.195 20 0 EBADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000369780519 421195368 /nfs/dbraw/zinc/19/53/68/421195368.db2.gz RELRNOAQFPULNX-ZIAGYGMSSA-N 1 3 336.440 0.429 20 0 EBADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N(C)C1CC1 ZINC000355419619 421197935 /nfs/dbraw/zinc/19/79/35/421197935.db2.gz CURZQOBMCBPKSN-GFCCVEGCSA-N 1 3 336.440 -0.018 20 0 EBADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCC1 ZINC000533456764 421198219 /nfs/dbraw/zinc/19/82/19/421198219.db2.gz AVBLKDQBTUBJKX-CYBMUJFWSA-N 1 3 336.440 -0.016 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCSC1 ZINC000419593229 264880952 /nfs/dbraw/zinc/88/09/52/264880952.db2.gz XOIGYFLIUGRHAP-OAHLLOKOSA-N 1 3 330.498 -0.017 20 0 EBADHO COC[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]C1 ZINC000423384997 265001514 /nfs/dbraw/zinc/00/15/14/265001514.db2.gz QSQABNHDQOQADE-QGZVFWFLSA-N 1 3 338.452 -0.621 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000423393590 265003488 /nfs/dbraw/zinc/00/34/88/265003488.db2.gz YVUQHLHHTKAAHD-CYBMUJFWSA-N 1 3 347.419 -0.441 20 0 EBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2CN)C1 ZINC000423680755 265031284 /nfs/dbraw/zinc/03/12/84/265031284.db2.gz UUNLMYMKFPEZQG-KFWWJZLASA-N 1 3 340.468 -0.106 20 0 EBADHO NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@@H](C[NH3+])C2)c1 ZINC000430938013 265155868 /nfs/dbraw/zinc/15/58/68/265155868.db2.gz GJYLOOQTPVIXLB-NSHDSACASA-N 1 3 326.422 -0.057 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000420186139 272823283 /nfs/dbraw/zinc/82/32/83/272823283.db2.gz QADVTQVBSIJWAU-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000339582650 279104700 /nfs/dbraw/zinc/10/47/00/279104700.db2.gz BZOJADZRCDFROJ-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000339582650 279104702 /nfs/dbraw/zinc/10/47/02/279104702.db2.gz BZOJADZRCDFROJ-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)CC1=O ZINC000340822966 289159631 /nfs/dbraw/zinc/15/96/31/289159631.db2.gz MVBDPDIUUKSJEH-HUUCEWRRSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000669228270 545827731 /nfs/dbraw/zinc/82/77/31/545827731.db2.gz LBGNNMMXAVAYCT-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CN1CCC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000670878298 545862228 /nfs/dbraw/zinc/86/22/28/545862228.db2.gz MVAKOQMLWKGDJY-HNNXBMFYSA-N 1 3 339.484 -0.661 20 0 EBADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000670878298 545862233 /nfs/dbraw/zinc/86/22/33/545862233.db2.gz MVAKOQMLWKGDJY-HNNXBMFYSA-N 1 3 339.484 -0.661 20 0 EBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666975525 546046977 /nfs/dbraw/zinc/04/69/77/546046977.db2.gz QYNORQCLWBDBTC-GDBMZVCRSA-N 1 3 328.457 -0.149 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677877674 546238030 /nfs/dbraw/zinc/23/80/30/546238030.db2.gz IYAWSAUMBRAUSW-LSDHHAIUSA-N 1 3 337.468 -0.920 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677877674 546238034 /nfs/dbraw/zinc/23/80/34/546238034.db2.gz IYAWSAUMBRAUSW-LSDHHAIUSA-N 1 3 337.468 -0.920 20 0 EBADHO O=C(CN1CCNCC1)NCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740092 582755248 /nfs/dbraw/zinc/75/52/48/582755248.db2.gz DHYAQXOFNRKRCN-AWEZNQCLSA-N 1 3 335.456 -0.811 20 0 EBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)CC1 ZINC000900696077 582777589 /nfs/dbraw/zinc/77/75/89/582777589.db2.gz YBJZPSLUNRQYRQ-WBVHZDCISA-N 1 3 326.485 -0.169 20 0 EBADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000900696077 582777592 /nfs/dbraw/zinc/77/75/92/582777592.db2.gz YBJZPSLUNRQYRQ-WBVHZDCISA-N 1 3 326.485 -0.169 20 0 EBADHO CN(C)CCNC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731489850 582837292 /nfs/dbraw/zinc/83/72/92/582837292.db2.gz FEDQERYGPKXFOT-UHFFFAOYSA-N 1 3 329.514 -0.045 20 0 EBADHO C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000741085968 583069159 /nfs/dbraw/zinc/06/91/59/583069159.db2.gz ACOCENQNRVOFQR-ZIAGYGMSSA-N 1 3 326.441 -0.395 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000774431116 583384532 /nfs/dbraw/zinc/38/45/32/583384532.db2.gz KDBAWUNLFPTNTC-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804058361 583640296 /nfs/dbraw/zinc/64/02/96/583640296.db2.gz ZYYOBVPTSNUQHG-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804058361 583640298 /nfs/dbraw/zinc/64/02/98/583640298.db2.gz ZYYOBVPTSNUQHG-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817955343 583731327 /nfs/dbraw/zinc/73/13/27/583731327.db2.gz WBPCIWWEWWMKMA-KRWDZBQOSA-N 1 3 339.484 -0.707 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000842015760 584056335 /nfs/dbraw/zinc/05/63/35/584056335.db2.gz MYLNWCVMVQXREU-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H]1C[NH3+] ZINC000842165381 584059026 /nfs/dbraw/zinc/05/90/26/584059026.db2.gz VVJAYQZVQOZAFY-BARDWOONSA-N 1 3 338.452 -0.448 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190775 584060326 /nfs/dbraw/zinc/06/03/26/584060326.db2.gz IOAYJNYZSKWBNA-CVEARBPZSA-N 1 3 340.493 -0.106 20 0 EBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000849073869 584165775 /nfs/dbraw/zinc/16/57/75/584165775.db2.gz KABYQUPXECGRQT-ZDUSSCGKSA-N 1 3 347.485 -0.753 20 0 EBADHO [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCCN1CCCO ZINC000849113512 584165998 /nfs/dbraw/zinc/16/59/98/584165998.db2.gz QDEYJRFPFBUICH-HNNXBMFYSA-N 1 3 327.473 -0.331 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000851669621 584197151 /nfs/dbraw/zinc/19/71/51/584197151.db2.gz ZDFLCAKRLGSAGJ-NSHDSACASA-N 1 3 335.399 -0.355 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000855345938 584257720 /nfs/dbraw/zinc/25/77/20/584257720.db2.gz KVBRZJLKIKKNMK-LBPRGKRZSA-N 1 3 339.440 -0.914 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000855345938 584257722 /nfs/dbraw/zinc/25/77/22/584257722.db2.gz KVBRZJLKIKKNMK-LBPRGKRZSA-N 1 3 339.440 -0.914 20 0 EBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000861732213 584335813 /nfs/dbraw/zinc/33/58/13/584335813.db2.gz KKULBKNTMHJKQX-CZUORRHYSA-N 1 3 348.447 -0.325 20 0 EBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000861736738 584336176 /nfs/dbraw/zinc/33/61/76/584336176.db2.gz IZYZAEKSYHODCJ-GFCCVEGCSA-N 1 3 337.424 -0.556 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861756361 584337770 /nfs/dbraw/zinc/33/77/70/584337770.db2.gz YDPVUGBRQBUFDW-MJBXVCDLSA-N 1 3 336.436 -0.633 20 0 EBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000861767383 584338124 /nfs/dbraw/zinc/33/81/24/584338124.db2.gz QAIDTTWYRODKRA-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863772065 584378240 /nfs/dbraw/zinc/37/82/40/584378240.db2.gz FGALSVQFMSNBOJ-CQSZACIVSA-N 1 3 340.468 -0.105 20 0 EBADHO O=C(C[C@H]1CSCCN1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999814 584450872 /nfs/dbraw/zinc/45/08/72/584450872.db2.gz PYHGTNMDDNCGPN-LOWDOPEQSA-N 1 3 340.449 -0.525 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872190005 584459022 /nfs/dbraw/zinc/45/90/22/584459022.db2.gz LJNVJQKBMYQWAL-XJKSGUPXSA-N 1 3 326.441 -0.909 20 0 EBADHO CN1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000874431965 584482452 /nfs/dbraw/zinc/48/24/52/584482452.db2.gz DXYQYTYUYGHYEA-MCIONIFRSA-N 1 3 337.424 -0.343 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875263027 584495777 /nfs/dbraw/zinc/49/57/77/584495777.db2.gz JEDBWVYXWODALE-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875263027 584495779 /nfs/dbraw/zinc/49/57/79/584495779.db2.gz JEDBWVYXWODALE-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO OC[C@@H]1CN(CC(C[N@@H+]2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702593 584543833 /nfs/dbraw/zinc/54/38/33/584543833.db2.gz ICSLNYMOOLSNJY-XSLAGTTESA-N 1 3 342.480 -0.637 20 0 EBADHO OC[C@@H]1CN(CC(C[N@H+]2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702593 584543836 /nfs/dbraw/zinc/54/38/36/584543836.db2.gz ICSLNYMOOLSNJY-XSLAGTTESA-N 1 3 342.480 -0.637 20 0 EBADHO CCO[C@@H]1CN(C(=O)c2ccnc(N3CCNCC3)c2)C[C@H]1C[NH3+] ZINC000884386124 584622791 /nfs/dbraw/zinc/62/27/91/584622791.db2.gz GEKYHOYLTBXAEV-HUUCEWRRSA-N 1 3 333.436 -0.073 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000884516812 584625571 /nfs/dbraw/zinc/62/55/71/584625571.db2.gz VGOARODCKAFVDV-NFAWXSAZSA-N 1 3 338.452 -0.306 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000884604099 584629771 /nfs/dbraw/zinc/62/97/71/584629771.db2.gz ZSJXUMQYMJLOIL-HNNXBMFYSA-N 1 3 340.468 -0.057 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884637590 584630670 /nfs/dbraw/zinc/63/06/70/584630670.db2.gz TWGCNJKNOHBHJC-CQSZACIVSA-N 1 3 328.457 -0.199 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884656614 584632293 /nfs/dbraw/zinc/63/22/93/584632293.db2.gz NJQSIBPSEZGIQB-OLZOCXBDSA-N 1 3 340.468 -0.060 20 0 EBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884725696 584636376 /nfs/dbraw/zinc/63/63/76/584636376.db2.gz UBOWSSGRYKDHKN-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198993 584645488 /nfs/dbraw/zinc/64/54/88/584645488.db2.gz KNBCFQHAABIFHB-CYBMUJFWSA-N 1 3 328.457 -0.201 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885292527 584647409 /nfs/dbraw/zinc/64/74/09/584647409.db2.gz WEVNPITWAQVQRI-RYUDHWBXSA-N 1 3 332.395 -0.100 20 0 EBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@H]2C)C1 ZINC000887091857 584676430 /nfs/dbraw/zinc/67/64/30/584676430.db2.gz ZCYWJBKCBYLCOG-KGLIPLIRSA-N 1 3 331.420 -0.061 20 0 EBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC000887091858 584676436 /nfs/dbraw/zinc/67/64/36/584676436.db2.gz ZCYWJBKCBYLCOG-UONOGXRCSA-N 1 3 331.420 -0.061 20 0 EBADHO CC(=O)N1C[C@H]2CN([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1 ZINC000887303355 584677459 /nfs/dbraw/zinc/67/74/59/584677459.db2.gz RLNNCWFYKYADIF-QLFBSQMISA-N 1 3 336.436 -0.524 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)CN(C)CCC ZINC000888042067 584684571 /nfs/dbraw/zinc/68/45/71/584684571.db2.gz PIQSALUYQSEJRY-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@H+](C)CCC ZINC000888042067 584684572 /nfs/dbraw/zinc/68/45/72/584684572.db2.gz PIQSALUYQSEJRY-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC000888042067 584684574 /nfs/dbraw/zinc/68/45/74/584684574.db2.gz PIQSALUYQSEJRY-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC000888042067 584684577 /nfs/dbraw/zinc/68/45/77/584684577.db2.gz PIQSALUYQSEJRY-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1COC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC000888042067 584684579 /nfs/dbraw/zinc/68/45/79/584684579.db2.gz PIQSALUYQSEJRY-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCNCCNCC1 ZINC000904968339 650052794 /nfs/dbraw/zinc/05/27/94/650052794.db2.gz KXTMLHSEDQZFPE-UHFFFAOYSA-N 1 3 327.473 -0.946 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907458125 650083281 /nfs/dbraw/zinc/08/32/81/650083281.db2.gz YAZYMGNUNYPDLN-NVXWUHKLSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907458125 650083282 /nfs/dbraw/zinc/08/32/82/650083282.db2.gz YAZYMGNUNYPDLN-NVXWUHKLSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(CCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000911053317 650147985 /nfs/dbraw/zinc/14/79/85/650147985.db2.gz OMAOFHZQQYZEHL-CYBMUJFWSA-N 1 3 338.452 -0.528 20 0 EBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911055913 650148574 /nfs/dbraw/zinc/14/85/74/650148574.db2.gz RDWCFHCWWBRHMT-PBHICJAKSA-N 1 3 340.468 -0.321 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147720 650154155 /nfs/dbraw/zinc/15/41/55/650154155.db2.gz SCRSBEQMBPBNOF-IUODEOHRSA-N 1 3 337.468 -0.875 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000911147153 650154473 /nfs/dbraw/zinc/15/44/73/650154473.db2.gz OLRDWQBRAZKFOR-GXTWGEPZSA-N 1 3 337.468 -0.733 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000911201052 650159017 /nfs/dbraw/zinc/15/90/17/650159017.db2.gz VUNCMYKECIJKLZ-XUJVJEKNSA-N 1 3 328.482 -0.488 20 0 EBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000911224495 650160679 /nfs/dbraw/zinc/16/06/79/650160679.db2.gz ZAWZKMALRVAYLF-OAHLLOKOSA-N 1 3 337.468 -0.874 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911231973 650161344 /nfs/dbraw/zinc/16/13/44/650161344.db2.gz QJGLYOKBFQZHLU-HZPDHXFCSA-N 1 3 348.447 -0.188 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911231973 650161346 /nfs/dbraw/zinc/16/13/46/650161346.db2.gz QJGLYOKBFQZHLU-HZPDHXFCSA-N 1 3 348.447 -0.188 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486177 650188015 /nfs/dbraw/zinc/18/80/15/650188015.db2.gz QBLLHISFNSYCPD-QLFBSQMISA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000911545524 650192719 /nfs/dbraw/zinc/19/27/19/650192719.db2.gz PPSRHLWIURQWKL-XJKSGUPXSA-N 1 3 326.441 -0.588 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000911545524 650192720 /nfs/dbraw/zinc/19/27/20/650192720.db2.gz PPSRHLWIURQWKL-XJKSGUPXSA-N 1 3 326.441 -0.588 20 0 EBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)COC1CCOCC1 ZINC000923343052 650338190 /nfs/dbraw/zinc/33/81/90/650338190.db2.gz BFYDSCFXGQJOIQ-LSDHHAIUSA-N 1 3 343.468 -0.138 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H](O)COC1CCOCC1 ZINC000923343046 650338231 /nfs/dbraw/zinc/33/82/31/650338231.db2.gz BFYDSCFXGQJOIQ-CABCVRRESA-N 1 3 343.468 -0.138 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923601263 650345840 /nfs/dbraw/zinc/34/58/40/650345840.db2.gz NAWOYUMBASEMCH-KBPBESRZSA-N 1 3 330.498 -0.222 20 0 EBADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000923683572 650353096 /nfs/dbraw/zinc/35/30/96/650353096.db2.gz JTLDJAYJBGTIPW-LBPRGKRZSA-N 1 3 333.454 -0.457 20 0 EBADHO CN(C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924562442 650364984 /nfs/dbraw/zinc/36/49/84/650364984.db2.gz ZESIUZZYEQZTCY-RYUDHWBXSA-N 1 3 325.413 -0.944 20 0 EBADHO CN(C)C[C@@H]1NC(=O)N(CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924562442 650364986 /nfs/dbraw/zinc/36/49/86/650364986.db2.gz ZESIUZZYEQZTCY-RYUDHWBXSA-N 1 3 325.413 -0.944 20 0 EBADHO CCO[C@H](CNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)C[NH+](C)C ZINC000926852742 651496679 /nfs/dbraw/zinc/49/66/79/651496679.db2.gz ZPQWQPOVOGAHGX-UONOGXRCSA-N 1 3 343.472 -0.286 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C[NH+](C)C ZINC000929991782 651574718 /nfs/dbraw/zinc/57/47/18/651574718.db2.gz JISZXTRKORZTQH-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000944679881 653147923 /nfs/dbraw/zinc/14/79/23/653147923.db2.gz KPWCLYXGXKDZMI-CQSZACIVSA-N 1 3 347.419 -0.608 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000946927570 653273869 /nfs/dbraw/zinc/27/38/69/653273869.db2.gz KGCUGIVKYSUPNM-KGLIPLIRSA-N 1 3 340.468 -0.500 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946927912 653275100 /nfs/dbraw/zinc/27/51/00/653275100.db2.gz OYKAYMXFKYSWEU-KBPBESRZSA-N 1 3 338.452 -0.698 20 0 EBADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000946932761 653277270 /nfs/dbraw/zinc/27/72/70/653277270.db2.gz MSZGFVSPUABULR-CQSZACIVSA-N 1 3 338.452 -0.696 20 0 EBADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000946932760 653277303 /nfs/dbraw/zinc/27/73/03/653277303.db2.gz MSZGFVSPUABULR-AWEZNQCLSA-N 1 3 338.452 -0.696 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCn3cncn3)C[C@@H]2O)CC1 ZINC000958374229 722354156 /nfs/dbraw/zinc/35/41/56/722354156.db2.gz LPEPOELPWYLQCM-CABCVRRESA-N 1 3 336.440 -0.971 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1 ZINC000958400497 722360564 /nfs/dbraw/zinc/36/05/64/722360564.db2.gz VQNGXLCUTJIXQH-SJORKVTESA-N 1 3 335.448 -0.195 20 0 EBADHO O=C(NC[C@H]1CN(CCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581929 722395066 /nfs/dbraw/zinc/39/50/66/722395066.db2.gz VPFMLRDBQCYCJB-JKSUJKDBSA-N 1 3 325.453 -0.490 20 0 EBADHO Cn1cc(CCN2C[C@@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592961 722397913 /nfs/dbraw/zinc/39/79/13/722397913.db2.gz ZBWYPMNNTVDMPO-JKSUJKDBSA-N 1 3 347.463 -0.533 20 0 EBADHO O=C(NC[C@@H]1CN(CCn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595068 722398528 /nfs/dbraw/zinc/39/85/28/722398528.db2.gz PCZZHVITNWLTLQ-CABCVRRESA-N 1 3 333.436 -0.612 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)N(C)C ZINC001019033469 728777365 /nfs/dbraw/zinc/77/73/65/728777365.db2.gz PILBDGXWYRHLMY-QLFBSQMISA-N 1 3 340.468 -0.236 20 0 EBADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C ZINC000962315519 723224914 /nfs/dbraw/zinc/22/49/14/723224914.db2.gz ZUBIUPRJGOXEFY-PBOSXPJTSA-N 1 3 331.420 -0.058 20 0 EBADHO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C ZINC000962315519 723224917 /nfs/dbraw/zinc/22/49/17/723224917.db2.gz ZUBIUPRJGOXEFY-PBOSXPJTSA-N 1 3 331.420 -0.058 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001019381816 728875896 /nfs/dbraw/zinc/87/58/96/728875896.db2.gz WHSXBGHEWYHBAB-KGLIPLIRSA-N 1 3 336.436 -0.190 20 0 EBADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001019386898 728876447 /nfs/dbraw/zinc/87/64/47/728876447.db2.gz XODUOIJZNCBXMO-QWHCGFSZSA-N 1 3 336.436 -0.286 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CCOC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965384081 724212263 /nfs/dbraw/zinc/21/22/63/724212263.db2.gz BNNFGRHDGWCEEI-ZDUSSCGKSA-N 1 3 347.419 -0.656 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CCOC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC000965384081 724212267 /nfs/dbraw/zinc/21/22/67/724212267.db2.gz BNNFGRHDGWCEEI-ZDUSSCGKSA-N 1 3 347.419 -0.656 20 0 EBADHO O=C(N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969197496 725160852 /nfs/dbraw/zinc/16/08/52/725160852.db2.gz KKYLHORLZNCQIF-OLZOCXBDSA-N 1 3 334.420 -0.390 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000969955568 725231788 /nfs/dbraw/zinc/23/17/88/725231788.db2.gz PKUWSXDJPUECCS-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)C1 ZINC000969955568 725231789 /nfs/dbraw/zinc/23/17/89/725231789.db2.gz PKUWSXDJPUECCS-LSDHHAIUSA-N 1 3 338.452 -0.623 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)cn1 ZINC000970231401 725265460 /nfs/dbraw/zinc/26/54/60/725265460.db2.gz PURRRKBKFYUXKL-KGLIPLIRSA-N 1 3 334.424 -0.863 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000976544925 726342902 /nfs/dbraw/zinc/34/29/02/726342902.db2.gz JDUTZTFEYYYUFU-NMNMXBMNSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000976544925 726342904 /nfs/dbraw/zinc/34/29/04/726342904.db2.gz JDUTZTFEYYYUFU-NMNMXBMNSA-N 1 3 334.464 -0.147 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)cn1 ZINC000996403272 726387862 /nfs/dbraw/zinc/38/78/62/726387862.db2.gz VBAQCEOSQYDJRI-CYBMUJFWSA-N 1 3 336.440 -0.630 20 0 EBADHO CC(C)(C(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749649 735370023 /nfs/dbraw/zinc/37/00/23/735370023.db2.gz HVAPOSOENOAMEO-ZIAGYGMSSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996821712 726428840 /nfs/dbraw/zinc/42/88/40/726428840.db2.gz HXGUMMSLDDESSK-PGMGQSNYSA-N 1 3 348.447 -0.681 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996998552 726434392 /nfs/dbraw/zinc/43/43/92/726434392.db2.gz KPBPDGGCQONTBG-GXTWGEPZSA-N 1 3 336.436 -0.144 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000997236390 726442321 /nfs/dbraw/zinc/44/23/21/726442321.db2.gz CBJAXGKMJNVAMP-AWEZNQCLSA-N 1 3 331.420 -0.071 20 0 EBADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000997854395 726467437 /nfs/dbraw/zinc/46/74/37/726467437.db2.gz CWFFWOZMNWOGRN-ZIAGYGMSSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@@H](N[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000999180178 726510162 /nfs/dbraw/zinc/51/01/62/726510162.db2.gz FQHBHZFDEJKONM-CHWSQXEVSA-N 1 3 336.440 -0.487 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999873040 726537182 /nfs/dbraw/zinc/53/71/82/726537182.db2.gz VLXPITHAPBILAD-CZUORRHYSA-N 1 3 334.464 -0.003 20 0 EBADHO COCCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000041418 726552762 /nfs/dbraw/zinc/55/27/62/726552762.db2.gz BQVLGGOTDJVTBY-UKRRQHHQSA-N 1 3 336.440 -0.261 20 0 EBADHO COCCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000041418 726552763 /nfs/dbraw/zinc/55/27/63/726552763.db2.gz BQVLGGOTDJVTBY-UKRRQHHQSA-N 1 3 336.440 -0.261 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)cn1 ZINC001000429361 726566822 /nfs/dbraw/zinc/56/68/22/726566822.db2.gz CEQXQJYQUZMNKL-CABCVRRESA-N 1 3 348.451 -0.473 20 0 EBADHO C[C@H](O)C[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000979393 726585899 /nfs/dbraw/zinc/58/58/99/726585899.db2.gz ZIADBCDYTLWTAP-OBYFKMTLSA-N 1 3 335.448 -0.021 20 0 EBADHO C[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000979393 726585900 /nfs/dbraw/zinc/58/59/00/726585900.db2.gz ZIADBCDYTLWTAP-OBYFKMTLSA-N 1 3 335.448 -0.021 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)n1 ZINC001018861258 728696086 /nfs/dbraw/zinc/69/60/86/728696086.db2.gz QSWMHSLUIAKHPD-KBPBESRZSA-N 1 3 348.451 -0.473 20 0 EBADHO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1=O ZINC001022455174 729495570 /nfs/dbraw/zinc/49/55/70/729495570.db2.gz JWDXNMGKUCEBCH-FUQSPGTJSA-N 1 3 348.447 -0.683 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022712004 729524216 /nfs/dbraw/zinc/52/42/16/729524216.db2.gz ICOYLTYQYHWMPW-SOUVJXGZSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(NC[C@@H]1CCCN(CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703589 729755771 /nfs/dbraw/zinc/75/57/71/729755771.db2.gz OEVSYWHUFWPFQY-HNNXBMFYSA-N 1 3 349.479 -0.064 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024180098 729856320 /nfs/dbraw/zinc/85/63/20/729856320.db2.gz SQNCFURXEMNVAG-DGCLKSJQSA-N 1 3 333.392 -0.414 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC001025787208 730088323 /nfs/dbraw/zinc/08/83/23/730088323.db2.gz ADHGTRCFPYBBGN-JHZZJYKESA-N 1 3 346.431 -0.820 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798630 730090072 /nfs/dbraw/zinc/09/00/72/730090072.db2.gz BDOBHNVGYNJLFP-ARKGTOAJSA-N 1 3 346.435 -0.812 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798630 730090074 /nfs/dbraw/zinc/09/00/74/730090074.db2.gz BDOBHNVGYNJLFP-ARKGTOAJSA-N 1 3 346.435 -0.812 20 0 EBADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043495 730117409 /nfs/dbraw/zinc/11/74/09/730117409.db2.gz DCRQXLRVCDCTDC-GAGVYUBLSA-N 1 3 334.464 -0.005 20 0 EBADHO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001026043495 730117411 /nfs/dbraw/zinc/11/74/11/730117411.db2.gz DCRQXLRVCDCTDC-GAGVYUBLSA-N 1 3 334.464 -0.005 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140373 730124363 /nfs/dbraw/zinc/12/43/63/730124363.db2.gz KLQDUMVNIZODRU-VBTGVMJWSA-N 1 3 334.420 -0.820 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140373 730124364 /nfs/dbraw/zinc/12/43/64/730124364.db2.gz KLQDUMVNIZODRU-VBTGVMJWSA-N 1 3 334.420 -0.820 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001026148541 730126018 /nfs/dbraw/zinc/12/60/18/730126018.db2.gz OPAHQEDUMKLHFY-NBFUAULTSA-N 1 3 349.479 -0.069 20 0 EBADHO NC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001026530913 730148840 /nfs/dbraw/zinc/14/88/40/730148840.db2.gz JCSJLPWWNJJEBM-DLUQRMLASA-N 1 3 336.436 -0.648 20 0 EBADHO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029151900 730391519 /nfs/dbraw/zinc/39/15/19/730391519.db2.gz CIUWYPHCPXPVFL-BXUZGUMPSA-N 1 3 347.419 -0.026 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001031683411 730750352 /nfs/dbraw/zinc/75/03/52/730750352.db2.gz ZPKBKYHPAGJPCC-VNQPRFMTSA-N 1 3 335.452 -0.368 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)CC[N@H+]1C ZINC001031683411 730750353 /nfs/dbraw/zinc/75/03/53/730750353.db2.gz ZPKBKYHPAGJPCC-VNQPRFMTSA-N 1 3 335.452 -0.368 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040214337 731647971 /nfs/dbraw/zinc/64/79/71/731647971.db2.gz LFFGJBPVRQXGEX-QGZVFWFLSA-N 1 3 349.435 -0.626 20 0 EBADHO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001040797164 731878561 /nfs/dbraw/zinc/87/85/61/731878561.db2.gz CCPUWVLMNUYPDI-CJNGLKHVSA-N 1 3 328.457 -0.642 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040797604 731879092 /nfs/dbraw/zinc/87/90/92/731879092.db2.gz JZUYZHLAWWMBBH-YOEHRIQHSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043114781 732764025 /nfs/dbraw/zinc/76/40/25/732764025.db2.gz BJJAWYMDNZHYFA-CYBMUJFWSA-N 1 3 338.452 -0.888 20 0 EBADHO CN(C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001043114781 732764031 /nfs/dbraw/zinc/76/40/31/732764031.db2.gz BJJAWYMDNZHYFA-CYBMUJFWSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115324 732764637 /nfs/dbraw/zinc/76/46/37/732764637.db2.gz GYOVEKKAZCAVIY-KGLIPLIRSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043115324 732764640 /nfs/dbraw/zinc/76/46/40/732764640.db2.gz GYOVEKKAZCAVIY-KGLIPLIRSA-N 1 3 338.452 -0.888 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CN(CC)CC)C1 ZINC001043157641 732793927 /nfs/dbraw/zinc/79/39/27/732793927.db2.gz IAKHIOKQBPCWHI-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CN(CC)CC)C1 ZINC001043157641 732793928 /nfs/dbraw/zinc/79/39/28/732793928.db2.gz IAKHIOKQBPCWHI-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043429377 732933699 /nfs/dbraw/zinc/93/36/99/732933699.db2.gz AIKRYELVTBWLFV-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043429377 732933702 /nfs/dbraw/zinc/93/37/02/732933702.db2.gz AIKRYELVTBWLFV-ZIAGYGMSSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001043429943 732934624 /nfs/dbraw/zinc/93/46/24/732934624.db2.gz HXJIIKWQLABUJW-UHFFFAOYSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001043463190 732955606 /nfs/dbraw/zinc/95/56/06/732955606.db2.gz LTWZKNPEPYDFLD-KGLIPLIRSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001043680652 733057479 /nfs/dbraw/zinc/05/74/79/733057479.db2.gz HYXQWSINWHROLN-MGPQQGTHSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001043680652 733057482 /nfs/dbraw/zinc/05/74/82/733057482.db2.gz HYXQWSINWHROLN-MGPQQGTHSA-N 1 3 340.468 -0.644 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043708460 733069553 /nfs/dbraw/zinc/06/95/53/733069553.db2.gz PQTFQMQVCUOZJS-UHFFFAOYSA-N 1 3 340.468 -0.641 20 0 EBADHO CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001044287991 733357475 /nfs/dbraw/zinc/35/74/75/733357475.db2.gz YPIZTMSERGRWDW-OAHLLOKOSA-N 1 3 342.484 -0.396 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001044323244 733382323 /nfs/dbraw/zinc/38/23/23/733382323.db2.gz HQBLYSUAZFUCJE-UHFFFAOYSA-N 1 3 349.435 -0.708 20 0 EBADHO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749398 733498267 /nfs/dbraw/zinc/49/82/67/733498267.db2.gz JWEBAZVNJCISGR-CHWSQXEVSA-N 1 3 334.424 -0.054 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001045153034 733604903 /nfs/dbraw/zinc/60/49/03/733604903.db2.gz YJIKXSFDUTXLCC-STQMWFEESA-N 1 3 349.435 -0.628 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001045153034 733604904 /nfs/dbraw/zinc/60/49/04/733604904.db2.gz YJIKXSFDUTXLCC-STQMWFEESA-N 1 3 349.435 -0.628 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001045412397 733689576 /nfs/dbraw/zinc/68/95/76/733689576.db2.gz BFKLZQPEUKWESK-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001046525801 733953957 /nfs/dbraw/zinc/95/39/57/733953957.db2.gz UCPONWIRHRSYAW-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001046525801 733953960 /nfs/dbraw/zinc/95/39/60/733953960.db2.gz UCPONWIRHRSYAW-ZDUSSCGKSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 ZINC001046530706 733955376 /nfs/dbraw/zinc/95/53/76/733955376.db2.gz BKBRNRRYYGODKU-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 ZINC001046530706 733955381 /nfs/dbraw/zinc/95/53/81/733955381.db2.gz BKBRNRRYYGODKU-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862657 738791456 /nfs/dbraw/zinc/79/14/56/738791456.db2.gz WMQQTAHMCBFXIV-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001047626490 734288793 /nfs/dbraw/zinc/28/87/93/734288793.db2.gz CLEHKSFQSDEODH-HOTGVXAUSA-N 1 3 335.452 -0.438 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061907152 738809555 /nfs/dbraw/zinc/80/95/55/738809555.db2.gz BHQUXWHUVOMNMC-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO 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GQYHACLURZBESQ-RHSMWYFYSA-N 1 3 348.451 -0.647 20 0 EBADHO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218914480 810544652 /nfs/dbraw/zinc/54/46/52/810544652.db2.gz XHJMLULHWUYNDG-GFCCVEGCSA-N 1 3 327.410 -0.818 20 0 EBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573186 810755728 /nfs/dbraw/zinc/75/57/28/810755728.db2.gz HIKCAGJENNKKRB-AWEZNQCLSA-N 1 3 328.457 -0.153 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736442 810816061 /nfs/dbraw/zinc/81/60/61/810816061.db2.gz CJCYZVQKCHCMJK-AVGNSLFASA-N 1 3 326.441 -0.641 20 0 EBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1Cc2cc(O)ccc2CN1 ZINC001219764996 810830839 /nfs/dbraw/zinc/83/08/39/810830839.db2.gz RIWASSDYVVFDLH-ISTRZQFTSA-N 1 3 330.432 -0.184 20 0 EBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1Cc2cc(O)ccc2CN1 ZINC001219764996 810830847 /nfs/dbraw/zinc/83/08/47/810830847.db2.gz RIWASSDYVVFDLH-ISTRZQFTSA-N 1 3 330.432 -0.184 20 0 EBADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1Cc2cc(O)ccc2CN1 ZINC001219764996 810830854 /nfs/dbraw/zinc/83/08/54/810830854.db2.gz RIWASSDYVVFDLH-ISTRZQFTSA-N 1 3 330.432 -0.184 20 0 EBADHO N[C@@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C1CCC2(CC1)OCCO2 ZINC001219815303 810857179 /nfs/dbraw/zinc/85/71/79/810857179.db2.gz WZRQDOOOPBLFNR-LZWOXQAQSA-N 1 3 339.436 -0.401 20 0 EBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1CNCC2 ZINC001219845295 810875262 /nfs/dbraw/zinc/87/52/62/810875262.db2.gz VSXMCYSXHYIXBN-BZNIZROVSA-N 1 3 335.408 -0.820 20 0 EBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219847802 810877887 /nfs/dbraw/zinc/87/78/87/810877887.db2.gz SOWMDTKUZGVHDO-CBBWQLFWSA-N 1 3 345.447 -0.230 20 0 EBADHO COCCn1c2c(ccc1=O)C[C@@H](NC(=O)[C@H](N)CCC[NH3+])CC2 ZINC001219898852 810899257 /nfs/dbraw/zinc/89/92/57/810899257.db2.gz PHEXMVZIJAMRJM-UONOGXRCSA-N 1 3 336.436 -0.466 20 0 EBADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220163964 811004174 /nfs/dbraw/zinc/00/41/74/811004174.db2.gz XFTYHDQAZRXXMB-IPYPFGDCSA-N 1 3 341.477 -0.198 20 0 EBADHO N[C@H]1CCCCN(CC(=O)NCc2ncn3c2C[NH2+]CCC3)C1=O ZINC001220311714 811051533 /nfs/dbraw/zinc/05/15/33/811051533.db2.gz PTWKJNYOQSTLFP-LBPRGKRZSA-N 1 3 334.424 -0.668 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315874 811053535 /nfs/dbraw/zinc/05/35/35/811053535.db2.gz JVERRMJHCLBSTM-WWGRRREGSA-N 1 3 326.441 -0.497 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319687 811055389 /nfs/dbraw/zinc/05/53/89/811055389.db2.gz IJCFADVKIYGQCG-OFQRWUPVSA-N 1 3 326.441 -0.353 20 0 EBADHO N[C@@H](C(=O)NCc1ccc(N2CCOCC2)nn1)C1CC[NH2+]CC1 ZINC001220389966 811088344 /nfs/dbraw/zinc/08/83/44/811088344.db2.gz IUNPNLQAARQLDS-OAHLLOKOSA-N 1 3 334.424 -0.744 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC23CC[NH+](CC2)CC3)COC1(C)C ZINC001220394240 811091559 /nfs/dbraw/zinc/09/15/59/811091559.db2.gz AYDYVTMNRLYBLX-STQMWFEESA-N 1 3 338.452 -0.101 20 0 EBADHO O=C(Nc1ncc(Br)[n-]c1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220398971 811093309 /nfs/dbraw/zinc/09/33/09/811093309.db2.gz VDPRQQGHDCYRPK-JMCQJSRRSA-N 1 3 342.197 -0.330 20 0 EBADHO COCCOc1ccc(CNC(=O)[C@@H](N)CSCC[NH3+])cn1 ZINC001220458347 811115329 /nfs/dbraw/zinc/11/53/29/811115329.db2.gz ONLAUUPHHTURHZ-LBPRGKRZSA-N 1 3 328.438 -0.258 20 0 EBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220479337 811122616 /nfs/dbraw/zinc/12/26/16/811122616.db2.gz HVFXFLYRNYGMGE-RYUDHWBXSA-N 1 3 327.425 -0.321 20 0 EBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220479337 811122621 /nfs/dbraw/zinc/12/26/21/811122621.db2.gz HVFXFLYRNYGMGE-RYUDHWBXSA-N 1 3 327.425 -0.321 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)CCNC1 ZINC001220523246 811139027 /nfs/dbraw/zinc/13/90/27/811139027.db2.gz KYSACWVXWBWGAF-GHMZBOCLSA-N 1 3 339.392 -0.688 20 0 EBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001220765943 811232516 /nfs/dbraw/zinc/23/25/16/811232516.db2.gz IECSUHAWLLNQPT-SRVKXCTJSA-N 1 3 343.472 -0.789 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001220768644 811234775 /nfs/dbraw/zinc/23/47/75/811234775.db2.gz WPRXLOSACQGVHW-ZNMIVQPWSA-N 1 3 329.441 -0.848 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786025 811240895 /nfs/dbraw/zinc/24/08/95/811240895.db2.gz KMWUCVRTCDDNEZ-IHRRRGAJSA-N 1 3 334.424 -0.376 20 0 EBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805485 811248441 /nfs/dbraw/zinc/24/84/41/811248441.db2.gz SEBNNOFPHRQOAM-ZDCRXTMVSA-N 1 3 336.358 -0.019 20 0 EBADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1ccccn1 ZINC001220900255 811287682 /nfs/dbraw/zinc/28/76/82/811287682.db2.gz FRLGJKWKNBOHIR-CMPLNLGQSA-N 1 3 326.422 -0.179 20 0 EBADHO CC(C)COC[C@H](O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979932 811322617 /nfs/dbraw/zinc/32/26/17/811322617.db2.gz YUIOTLMHGBZKIW-OAGGEKHMSA-N 1 3 343.468 -0.723 20 0 EBADHO N[C@@H](C(=O)NCc1cccc(N2CCOCC2=O)c1)C1CC[NH2+]CC1 ZINC001220990492 811331591 /nfs/dbraw/zinc/33/15/91/811331591.db2.gz NYPWRXPZVNFXIS-QGZVFWFLSA-N 1 3 346.431 -0.007 20 0 EBADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001221006840 811342012 /nfs/dbraw/zinc/34/20/12/811342012.db2.gz NIIZOEMFEXGRDI-AVGNSLFASA-N 1 3 345.513 -0.889 20 0 EBADHO Cc1nccnc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221102848 811380536 /nfs/dbraw/zinc/38/05/36/811380536.db2.gz BXZDOTHFPJHULZ-ZFWWWQNUSA-N 1 3 348.451 -0.151 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@]2(C)CCC[N@H+](C)C2)COC1(C)C ZINC001221244241 811425245 /nfs/dbraw/zinc/42/52/45/811425245.db2.gz UBYUSNDRGZLSGS-MKBNYLNASA-N 1 3 326.441 -0.102 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@]2(C)CCC[N@@H+](C)C2)COC1(C)C ZINC001221244241 811425253 /nfs/dbraw/zinc/42/52/53/811425253.db2.gz UBYUSNDRGZLSGS-MKBNYLNASA-N 1 3 326.441 -0.102 20 0 EBADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221256913 811427822 /nfs/dbraw/zinc/42/78/22/811427822.db2.gz RBDOMONFPXBLOJ-HACGYAERSA-N 1 3 349.435 -0.790 20 0 EBADHO C[NH+](C)[C@H](C(=O)NC1CCN(CCN2CCNC2=O)CC1)C1CC1 ZINC001227816653 811942761 /nfs/dbraw/zinc/94/27/61/811942761.db2.gz GUAGCWUPKJHNMM-HNNXBMFYSA-N 1 3 337.468 -0.068 20 0 EBADHO C[NH+](C)CCC(=O)NC1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC001229007776 812009037 /nfs/dbraw/zinc/00/90/37/812009037.db2.gz FIYHQEQKNPLFBN-UHFFFAOYSA-N 1 3 339.440 -0.539 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001229212653 812019602 /nfs/dbraw/zinc/01/96/02/812019602.db2.gz AEEZZVXFMXHNPB-JHJVBQTASA-N 1 3 341.456 -0.071 20 0 EBADHO C[NH+](C)CCOCC(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001230034220 812070402 /nfs/dbraw/zinc/07/04/02/812070402.db2.gz GLNANQYOZCJZOF-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786241 812232702 /nfs/dbraw/zinc/23/27/02/812232702.db2.gz CNARLEXIDMUFRX-OWCLPIDISA-N 1 3 347.463 -0.224 20 0 EBADHO COC(=O)c1cncc(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238878244 812534729 /nfs/dbraw/zinc/53/47/29/812534729.db2.gz AIHZNLWYLPYZNB-UHFFFAOYSA-N 1 3 330.410 -0.525 20 0 EBADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)CCN)C2 ZINC001239077338 812541429 /nfs/dbraw/zinc/54/14/29/812541429.db2.gz GPBDAKNCXXZKOW-HUUCEWRRSA-N 1 3 331.482 -0.045 20 0 EBADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)CCN)C2 ZINC001239077338 812541434 /nfs/dbraw/zinc/54/14/34/812541434.db2.gz GPBDAKNCXXZKOW-HUUCEWRRSA-N 1 3 331.482 -0.045 20 0 EBADHO CN(C)CCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CCC1=O ZINC001239101146 812544523 /nfs/dbraw/zinc/54/45/23/812544523.db2.gz FNWAPURXUMTTKJ-UHFFFAOYSA-N 1 3 346.497 -0.588 20 0 EBADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246009317 812559947 /nfs/dbraw/zinc/55/99/47/812559947.db2.gz SLBCORYKFJUCSR-ZBFHGGJFSA-N 1 3 339.436 -0.466 20 0 EBADHO CCOC(=O)[C@]12C[N@H+](C[C@@H](O)CN3CCOCC3)C[C@H]1CNCC2 ZINC001246046432 812560923 /nfs/dbraw/zinc/56/09/23/812560923.db2.gz NIMIMFJIUXIMJF-HLLBOEOZSA-N 1 3 341.452 -0.846 20 0 EBADHO CCOC(=O)[C@]12C[N@@H+](C[C@@H](O)CN3CCOCC3)C[C@H]1CNCC2 ZINC001246046432 812560928 /nfs/dbraw/zinc/56/09/28/812560928.db2.gz NIMIMFJIUXIMJF-HLLBOEOZSA-N 1 3 341.452 -0.846 20 0 EBADHO CC(C)NC(=O)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246753159 812586573 /nfs/dbraw/zinc/58/65/73/812586573.db2.gz BNLZYSMQMAWKBT-GFCCVEGCSA-N 1 3 332.452 -0.067 20 0 EBADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@](N)(C(=O)OC)C3)C[C@H](C1)N2 ZINC001246928471 812593458 /nfs/dbraw/zinc/59/34/58/812593458.db2.gz ZZCDIKKXWXCSKZ-DTMKNQSTSA-N 1 3 325.409 -0.365 20 0 EBADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@](N)(C(=O)OC)C3)C[C@H](C1)N2 ZINC001246928471 812593463 /nfs/dbraw/zinc/59/34/63/812593463.db2.gz ZZCDIKKXWXCSKZ-DTMKNQSTSA-N 1 3 325.409 -0.365 20 0 EBADHO COC(=O)CNC(=O)C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252948483 812669721 /nfs/dbraw/zinc/66/97/21/812669721.db2.gz PHYYYZOLLPGXEL-QGZVFWFLSA-N 1 3 335.404 -0.498 20 0 EBADHO CCN1CCN(CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001261643364 812958010 /nfs/dbraw/zinc/95/80/10/812958010.db2.gz QQQPSDMKLVBHSB-UHFFFAOYSA-N 1 3 349.483 -0.040 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001081505453 813093708 /nfs/dbraw/zinc/09/37/08/813093708.db2.gz GKMWLUCOXAGPSU-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001081505453 813093720 /nfs/dbraw/zinc/09/37/20/813093720.db2.gz GKMWLUCOXAGPSU-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC001262547901 813093853 /nfs/dbraw/zinc/09/38/53/813093853.db2.gz GKOREDCOPGJRIX-UMVBOHGHSA-N 1 3 338.452 -0.591 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001262569310 813097062 /nfs/dbraw/zinc/09/70/62/813097062.db2.gz VESYXHBREIIUNA-IRXDYDNUSA-N 1 3 327.517 -0.790 20 0 EBADHO C[C@H]1CN(CCO)CCN1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001262593551 813097854 /nfs/dbraw/zinc/09/78/54/813097854.db2.gz WUAPBTSKYDUFHH-INIZCTEOSA-N 1 3 341.500 -0.230 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CCC1 ZINC001081556364 813174489 /nfs/dbraw/zinc/17/44/89/813174489.db2.gz NLCRDBMSWFIBGT-KBPBESRZSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)C1CCC1 ZINC001081564023 813189915 /nfs/dbraw/zinc/18/99/15/813189915.db2.gz FKWBGMNTEHYMSO-HIFRSBDPSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081571206 813207280 /nfs/dbraw/zinc/20/72/80/813207280.db2.gz GIXRPYHFUUQIFD-ZIAGYGMSSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)[C@H](C(=O)NCCCN(C)[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001265032361 813224896 /nfs/dbraw/zinc/22/48/96/813224896.db2.gz STHDLCZDTGBGJG-GXTWGEPZSA-N 1 3 326.441 -0.184 20 0 EBADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CCN1CCNC1=O ZINC001265103914 813239082 /nfs/dbraw/zinc/23/90/82/813239082.db2.gz BMVDZRZEYUHTQX-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CCN1CCNC1=O ZINC001265103914 813239086 /nfs/dbraw/zinc/23/90/86/813239086.db2.gz BMVDZRZEYUHTQX-AWEZNQCLSA-N 1 3 325.457 -0.066 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001265881775 813402411 /nfs/dbraw/zinc/40/24/11/813402411.db2.gz OPPQZNRLVQDSQM-GJZGRUSLSA-N 1 3 342.484 -0.491 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001265903378 813410535 /nfs/dbraw/zinc/41/05/35/813410535.db2.gz OZUVYKJQLFCTBJ-KBPBESRZSA-N 1 3 346.497 -0.401 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001265903378 813410540 /nfs/dbraw/zinc/41/05/40/813410540.db2.gz OZUVYKJQLFCTBJ-KBPBESRZSA-N 1 3 346.497 -0.401 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001265910930 813411603 /nfs/dbraw/zinc/41/16/03/813411603.db2.gz VJZNPRXSBJSJAE-ZDUSSCGKSA-N 1 3 346.497 -0.400 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081703649 813442406 /nfs/dbraw/zinc/44/24/06/813442406.db2.gz SUYNDWHYRXFHDF-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079963 813452482 /nfs/dbraw/zinc/45/24/82/813452482.db2.gz XBSWANZLMIMAMN-ZIAGYGMSSA-N 1 3 348.513 -0.107 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733120 813488919 /nfs/dbraw/zinc/48/89/19/813488919.db2.gz PICBLOUVCJFBMI-KBPBESRZSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001081773889 813538558 /nfs/dbraw/zinc/53/85/58/813538558.db2.gz HOZHQABRNXBDMN-OCCSQVGLSA-N 1 3 337.424 -0.771 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001081773889 813538568 /nfs/dbraw/zinc/53/85/68/813538568.db2.gz HOZHQABRNXBDMN-OCCSQVGLSA-N 1 3 337.424 -0.771 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001081773888 813539409 /nfs/dbraw/zinc/53/94/09/813539409.db2.gz HOZHQABRNXBDMN-JSGCOSHPSA-N 1 3 337.424 -0.771 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001081773888 813539414 /nfs/dbraw/zinc/53/94/14/813539414.db2.gz HOZHQABRNXBDMN-JSGCOSHPSA-N 1 3 337.424 -0.771 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001266756864 813662982 /nfs/dbraw/zinc/66/29/82/813662982.db2.gz DDJICSZYSCZKKQ-UONOGXRCSA-N 1 3 338.452 -0.040 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001266756864 813662987 /nfs/dbraw/zinc/66/29/87/813662987.db2.gz DDJICSZYSCZKKQ-UONOGXRCSA-N 1 3 338.452 -0.040 20 0 EBADHO O=C(NC[C@@H]1CCCN1CCOCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001267266257 813809688 /nfs/dbraw/zinc/80/96/88/813809688.db2.gz CBVPJADKWYJRCG-HOTGVXAUSA-N 1 3 325.453 -0.082 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(=O)NCC ZINC001267380085 813867297 /nfs/dbraw/zinc/86/72/97/813867297.db2.gz HHJOVPGPUSZHFE-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(=O)NCC ZINC001267380085 813867306 /nfs/dbraw/zinc/86/73/06/813867306.db2.gz HHJOVPGPUSZHFE-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CN(CCNCC(=O)N1CCOCC1)C(=O)CC[NH+]1CCCCC1 ZINC001267473326 813910952 /nfs/dbraw/zinc/91/09/52/813910952.db2.gz JOHBZVGNWBOKDO-UHFFFAOYSA-N 1 3 340.468 -0.231 20 0 EBADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1N[C@H]1CCNC1=O ZINC001082798352 814008973 /nfs/dbraw/zinc/00/89/73/814008973.db2.gz PCLXIECPVOJIJW-VHDGCEQUSA-N 1 3 348.451 -0.617 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001267969559 814080369 /nfs/dbraw/zinc/08/03/69/814080369.db2.gz JNHCONZIDJAVCK-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001268551770 814288159 /nfs/dbraw/zinc/28/81/59/814288159.db2.gz FKMJHCOXICSSBI-DHMVDLOISA-N 1 3 336.436 -0.072 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001268551770 814288168 /nfs/dbraw/zinc/28/81/68/814288168.db2.gz FKMJHCOXICSSBI-DHMVDLOISA-N 1 3 336.436 -0.072 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001268551772 814288611 /nfs/dbraw/zinc/28/86/11/814288611.db2.gz FKMJHCOXICSSBI-DTSKHDKYSA-N 1 3 336.436 -0.072 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001268551772 814288614 /nfs/dbraw/zinc/28/86/14/814288614.db2.gz FKMJHCOXICSSBI-DTSKHDKYSA-N 1 3 336.436 -0.072 20 0 EBADHO CN(CCC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CCCN1C ZINC001268783557 814385372 /nfs/dbraw/zinc/38/53/72/814385372.db2.gz KGRUGJOTKLWTTG-ZDUSSCGKSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)C1(C(=O)NCC2([NH2+]CCN3C(=O)CCC3=O)CC2)CCC1 ZINC001269423240 814685213 /nfs/dbraw/zinc/68/52/13/814685213.db2.gz SGPSHBXFAGTPHH-UHFFFAOYSA-N 1 3 336.436 -0.142 20 0 EBADHO CC[NH+](CC)CCC(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001270533729 815807238 /nfs/dbraw/zinc/80/72/38/815807238.db2.gz HLIMMXVRGJWWLA-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001272294784 816388773 /nfs/dbraw/zinc/38/87/73/816388773.db2.gz CYPDCQVXIMIBLG-KBPBESRZSA-N 1 3 328.457 -0.737 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086997040 816440336 /nfs/dbraw/zinc/44/03/36/816440336.db2.gz IAQNRKZYTCXRCG-VNQPRFMTSA-N 1 3 335.452 -0.362 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261919 816495270 /nfs/dbraw/zinc/49/52/70/816495270.db2.gz GVSKNWJKJMWWKV-QWHCGFSZSA-N 1 3 349.435 -0.124 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261919 816495276 /nfs/dbraw/zinc/49/52/76/816495276.db2.gz GVSKNWJKJMWWKV-QWHCGFSZSA-N 1 3 349.435 -0.124 20 0 EBADHO CS(=O)(=O)NCC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641525 816499662 /nfs/dbraw/zinc/49/96/62/816499662.db2.gz JMSPRPYGRCHUBC-AWEZNQCLSA-N 1 3 346.497 -0.540 20 0 EBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273716222 816741157 /nfs/dbraw/zinc/74/11/57/816741157.db2.gz GNXXPHRTIOEZEE-JSGCOSHPSA-N 1 3 326.441 -0.184 20 0 EBADHO CCN(CCNCCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273752621 816750232 /nfs/dbraw/zinc/75/02/32/816750232.db2.gz IRXAVAHEENEIME-CQSZACIVSA-N 1 3 346.497 -0.588 20 0 EBADHO CCN(CCNCCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273752621 816750238 /nfs/dbraw/zinc/75/02/38/816750238.db2.gz IRXAVAHEENEIME-CQSZACIVSA-N 1 3 346.497 -0.588 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969480 816957574 /nfs/dbraw/zinc/95/75/74/816957574.db2.gz UFEQQYXYVNIWGO-CABCVRRESA-N 1 3 325.453 -0.082 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969480 816957579 /nfs/dbraw/zinc/95/75/79/816957579.db2.gz UFEQQYXYVNIWGO-CABCVRRESA-N 1 3 325.453 -0.082 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C/CNCc1cnnn1C ZINC001274578457 817020205 /nfs/dbraw/zinc/02/02/05/817020205.db2.gz IEPNGTLCTMBIFQ-XGACYXMMSA-N 1 3 336.440 -0.455 20 0 EBADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4c[nH]c(=O)[nH]c4=O)CC3)[C@@H]2C1 ZINC001276110134 817360918 /nfs/dbraw/zinc/36/09/18/817360918.db2.gz BPOYUWZMSVEFPO-VXGBXAGGSA-N 1 3 333.392 -0.470 20 0 EBADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4c[nH]c(=O)[nH]c4=O)CC3)[C@@H]2C1 ZINC001276110134 817360919 /nfs/dbraw/zinc/36/09/19/817360919.db2.gz BPOYUWZMSVEFPO-VXGBXAGGSA-N 1 3 333.392 -0.470 20 0 EBADHO CN(C)S(=O)(=O)N1CCO[C@H]2CN(CC3CC[NH2+]CC3)C[C@@H]21 ZINC001276713510 817459577 /nfs/dbraw/zinc/45/95/77/817459577.db2.gz IBPHQTSZIYMKNS-KBPBESRZSA-N 1 3 332.470 -0.823 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001277074637 817518237 /nfs/dbraw/zinc/51/82/37/817518237.db2.gz LGYHWAGXLSHHMX-AVGNSLFASA-N 1 3 339.440 -0.637 20 0 EBADHO COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001277823637 817641225 /nfs/dbraw/zinc/64/12/25/817641225.db2.gz NNZIEUCGQXMDHI-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO NC(=O)C[NH2+]CCCOC1CCN(C(=O)CN2CCCC2)CC1 ZINC001282594033 818462981 /nfs/dbraw/zinc/46/29/81/818462981.db2.gz MJLZEHISCHEMOC-UHFFFAOYSA-N 1 3 326.441 -0.445 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001284031132 819072917 /nfs/dbraw/zinc/07/29/17/819072917.db2.gz IZZNAXKKQGYHAU-KGLIPLIRSA-N 1 3 348.513 -0.155 20 0 EBADHO C[NH+](C)CCCC(=O)N1C[C@H](N[C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313851 819180806 /nfs/dbraw/zinc/18/08/06/819180806.db2.gz TXIMXKRDJFIWOJ-OLZOCXBDSA-N 1 3 338.452 -0.040 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099159917 819427088 /nfs/dbraw/zinc/42/70/88/819427088.db2.gz MBIQRDJDAJEZGT-VKJFTORMSA-N 1 3 349.479 -0.066 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099159917 819427092 /nfs/dbraw/zinc/42/70/92/819427092.db2.gz MBIQRDJDAJEZGT-VKJFTORMSA-N 1 3 349.479 -0.066 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971928 819974857 /nfs/dbraw/zinc/97/48/57/819974857.db2.gz OFWUTUJVOQAELB-HOTGVXAUSA-N 1 3 349.479 -0.144 20 0 EBADHO COCCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050674 820125685 /nfs/dbraw/zinc/12/56/85/820125685.db2.gz LGERPNZMUHODKH-CABCVRRESA-N 1 3 329.441 -0.705 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100457314 820429819 /nfs/dbraw/zinc/42/98/19/820429819.db2.gz YPTVRPCOAKRXCD-UNXYVOJBSA-N 1 3 341.456 -0.216 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676368 820508087 /nfs/dbraw/zinc/50/80/87/820508087.db2.gz MHUHVYUMSCUFFY-PNESKVBLSA-N 1 3 339.440 -0.589 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001100684874 820511719 /nfs/dbraw/zinc/51/17/19/820511719.db2.gz OXHGQPRAYDWCBC-BPCQOVAHSA-N 1 3 334.486 -0.640 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100904854 820595603 /nfs/dbraw/zinc/59/56/03/820595603.db2.gz KXGDYFJILDOIHB-UHFFFAOYSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511049 821132654 /nfs/dbraw/zinc/13/26/54/821132654.db2.gz HIMQBUBPUNEZDD-HUUCEWRRSA-N 1 3 340.468 -0.519 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102525110 821138310 /nfs/dbraw/zinc/13/83/10/821138310.db2.gz LJVSUEVRACSENX-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102525110 821138317 /nfs/dbraw/zinc/13/83/17/821138317.db2.gz LJVSUEVRACSENX-MGPQQGTHSA-N 1 3 338.452 -0.183 20 0 EBADHO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782767 821211576 /nfs/dbraw/zinc/21/15/76/821211576.db2.gz PWVUFDIHFNILRR-UPJWGTAASA-N 1 3 339.440 -0.650 20 0 EBADHO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782767 821211580 /nfs/dbraw/zinc/21/15/80/821211580.db2.gz PWVUFDIHFNILRR-UPJWGTAASA-N 1 3 339.440 -0.650 20 0 EBADHO CC(=O)NCCOCCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316992606 821965356 /nfs/dbraw/zinc/96/53/56/821965356.db2.gz RUNNBEATFWCFCM-JKSUJKDBSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(=O)NCCOCCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001316992606 821965361 /nfs/dbraw/zinc/96/53/61/821965361.db2.gz RUNNBEATFWCFCM-JKSUJKDBSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001317082860 821998045 /nfs/dbraw/zinc/99/80/45/821998045.db2.gz UVNQXQJYBDJPAP-HAQNSBGRSA-N 1 3 332.470 -0.743 20 0 EBADHO CN(CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)S(C)(=O)=O ZINC001317313644 822079773 /nfs/dbraw/zinc/07/97/73/822079773.db2.gz RNVLMZGDKPVQHR-KBPBESRZSA-N 1 3 346.497 -0.590 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001317321629 822082066 /nfs/dbraw/zinc/08/20/66/822082066.db2.gz HGRZPHPIJGISML-ZDUSSCGKSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405716 822102090 /nfs/dbraw/zinc/10/20/90/822102090.db2.gz JPZBUKNPCVCNGI-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CCN1C(=O)CCC1=O ZINC001317487286 822129396 /nfs/dbraw/zinc/12/93/96/822129396.db2.gz JLUWHUFKFNPMNK-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CCN1C(=O)CCC1=O ZINC001317487286 822129400 /nfs/dbraw/zinc/12/94/00/822129400.db2.gz JLUWHUFKFNPMNK-CQSZACIVSA-N 1 3 338.452 -0.085 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001317625764 822182890 /nfs/dbraw/zinc/18/28/90/822182890.db2.gz JFABWHTWEUEURM-CABCVRRESA-N 1 3 340.468 -0.471 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001317625764 822182893 /nfs/dbraw/zinc/18/28/93/822182893.db2.gz JFABWHTWEUEURM-CABCVRRESA-N 1 3 340.468 -0.471 20 0 EBADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001317654470 822192953 /nfs/dbraw/zinc/19/29/53/822192953.db2.gz LKKYOKPBQZHJCM-ZDUSSCGKSA-N 1 3 334.486 -0.590 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001317861317 822227392 /nfs/dbraw/zinc/22/73/92/822227392.db2.gz OFEHXZAZELGNAX-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001317861317 822227400 /nfs/dbraw/zinc/22/74/00/822227400.db2.gz OFEHXZAZELGNAX-ZIAGYGMSSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001106704857 822314623 /nfs/dbraw/zinc/31/46/23/822314623.db2.gz FZEMUBAHIQXEGC-OUAUKWLOSA-N 1 3 336.396 -0.780 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132292 828420061 /nfs/dbraw/zinc/42/00/61/828420061.db2.gz BXVOXBVIFNMZOM-HOCLYGCPSA-N 1 3 347.463 -0.190 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc(CNCCO)n3)C2)C1 ZINC001128132292 828420064 /nfs/dbraw/zinc/42/00/64/828420064.db2.gz BXVOXBVIFNMZOM-HOCLYGCPSA-N 1 3 347.463 -0.190 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001128784942 828526569 /nfs/dbraw/zinc/52/65/69/828526569.db2.gz PHIZTZJNMAKZQW-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001128784942 828526571 /nfs/dbraw/zinc/52/65/71/828526571.db2.gz PHIZTZJNMAKZQW-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107040640 823720228 /nfs/dbraw/zinc/72/02/28/823720228.db2.gz KQDXWLNLTAXSOT-VXGBXAGGSA-N 1 3 327.429 -0.794 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC(=O)NC1CC1 ZINC001129363500 828604972 /nfs/dbraw/zinc/60/49/72/828604972.db2.gz HWXGPJPRNXVYGR-LLVKDONJSA-N 1 3 339.440 -0.447 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129534873 828631987 /nfs/dbraw/zinc/63/19/87/828631987.db2.gz BHVGZGAQWNFOMC-ZDUSSCGKSA-N 1 3 328.457 -0.282 20 0 EBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532139 828631117 /nfs/dbraw/zinc/63/11/17/828631117.db2.gz SBHMTHVAAGTYHA-DZGCQCFKSA-N 1 3 331.457 -0.411 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001129849743 828681698 /nfs/dbraw/zinc/68/16/98/828681698.db2.gz SQLLUULEYVYGDP-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001129849743 828681701 /nfs/dbraw/zinc/68/17/01/828681701.db2.gz SQLLUULEYVYGDP-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129846488 828680075 /nfs/dbraw/zinc/68/00/75/828680075.db2.gz QRFVIQCDUBAPJD-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129846488 828680077 /nfs/dbraw/zinc/68/00/77/828680077.db2.gz QRFVIQCDUBAPJD-NEPJUHHUSA-N 1 3 327.429 -0.589 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129878705 828686190 /nfs/dbraw/zinc/68/61/90/828686190.db2.gz ANMZYCAXOBJZNP-MJBXVCDLSA-N 1 3 342.419 -0.708 20 0 EBADHO CN(CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130014303 828714470 /nfs/dbraw/zinc/71/44/70/828714470.db2.gz HJZUTYIVWHSZCP-KGLIPLIRSA-N 1 3 338.456 -0.410 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617443 832994415 /nfs/dbraw/zinc/99/44/15/832994415.db2.gz GDIMWCCBOAOTMW-CFVMTHIKSA-N 1 3 340.424 -0.445 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617657 832994533 /nfs/dbraw/zinc/99/45/33/832994533.db2.gz KOLQYWFOYREDPV-QEJZJMRPSA-N 1 3 332.408 -0.211 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179743955 833006473 /nfs/dbraw/zinc/00/64/73/833006473.db2.gz AGOCLKABYFDSDO-AGIUHOORSA-N 1 3 341.456 -0.249 20 0 EBADHO CCNC(=O)CN[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179798389 833011821 /nfs/dbraw/zinc/01/18/21/833011821.db2.gz BSQVDPVLTBNALW-ZFWWWQNUSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CCC1 ZINC001114405243 826235910 /nfs/dbraw/zinc/23/59/10/826235910.db2.gz PLCSBENSGXWXQM-KZVDOYCCSA-N 1 3 334.420 -0.678 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CCC1 ZINC001114405243 826235914 /nfs/dbraw/zinc/23/59/14/826235914.db2.gz PLCSBENSGXWXQM-KZVDOYCCSA-N 1 3 334.420 -0.678 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001114442374 826249194 /nfs/dbraw/zinc/24/91/94/826249194.db2.gz FLVTWKPGBDGOJH-YJNKXOJESA-N 1 3 337.468 -0.356 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179972130 833030136 /nfs/dbraw/zinc/03/01/36/833030136.db2.gz HEVHEXCDZGGGMO-AVGNSLFASA-N 1 3 341.456 -0.119 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968615 833030563 /nfs/dbraw/zinc/03/05/63/833030563.db2.gz WJVXVIYYLIWMKN-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001114589431 826293296 /nfs/dbraw/zinc/29/32/96/826293296.db2.gz HORDGBLQKMHILE-GTHOZQOVSA-N 1 3 335.448 -0.068 20 0 EBADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001114589431 826293301 /nfs/dbraw/zinc/29/33/01/826293301.db2.gz HORDGBLQKMHILE-GTHOZQOVSA-N 1 3 335.448 -0.068 20 0 EBADHO CN(C)S(=O)(=O)CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778566 826340326 /nfs/dbraw/zinc/34/03/26/826340326.db2.gz NGGIUCTTWUQRRP-NHAGDIPZSA-N 1 3 346.497 -0.734 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1 ZINC001180131373 833044864 /nfs/dbraw/zinc/04/48/64/833044864.db2.gz AWISNXZXOJWTDW-STQMWFEESA-N 1 3 332.470 -0.790 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124236 833045029 /nfs/dbraw/zinc/04/50/29/833045029.db2.gz GKZBUQKVGWQFEQ-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124236 833045033 /nfs/dbraw/zinc/04/50/33/833045033.db2.gz GKZBUQKVGWQFEQ-ZNMIVQPWSA-N 1 3 340.468 -0.330 20 0 EBADHO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131774 833045358 /nfs/dbraw/zinc/04/53/58/833045358.db2.gz LCMUIBNGGHUPEC-JYJNAYRXSA-N 1 3 343.468 -0.315 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001114996990 826396572 /nfs/dbraw/zinc/39/65/72/826396572.db2.gz HDUVOUKXDHTJSO-QLPKVWCKSA-N 1 3 340.468 -0.473 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001114996990 826396577 /nfs/dbraw/zinc/39/65/77/826396577.db2.gz HDUVOUKXDHTJSO-QLPKVWCKSA-N 1 3 340.468 -0.473 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001114998962 826397253 /nfs/dbraw/zinc/39/72/53/826397253.db2.gz ZSSCDNJBPRIFJW-LJIGWXMPSA-N 1 3 343.468 -0.602 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001114998962 826397260 /nfs/dbraw/zinc/39/72/60/826397260.db2.gz ZSSCDNJBPRIFJW-LJIGWXMPSA-N 1 3 343.468 -0.602 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001115245351 826470214 /nfs/dbraw/zinc/47/02/14/826470214.db2.gz POCGCJVJQPLXRA-SIXLDLHFSA-N 1 3 347.463 -0.065 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001115245351 826470220 /nfs/dbraw/zinc/47/02/20/826470220.db2.gz POCGCJVJQPLXRA-SIXLDLHFSA-N 1 3 347.463 -0.065 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226969 833060090 /nfs/dbraw/zinc/06/00/90/833060090.db2.gz WDPSAMGUJMLHPE-RYUDHWBXSA-N 1 3 327.429 -0.639 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115298875 826500927 /nfs/dbraw/zinc/50/09/27/826500927.db2.gz ZJEPTDRVECYRJB-QLPKVWCKSA-N 1 3 325.453 -0.082 20 0 EBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@H](O)COC2CCOCC2)C1 ZINC001118148227 826860136 /nfs/dbraw/zinc/86/01/36/826860136.db2.gz SNHWPXRECANZKA-LSDHHAIUSA-N 1 3 343.468 -0.280 20 0 EBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)COC2CCOCC2)C1 ZINC001118148227 826860148 /nfs/dbraw/zinc/86/01/48/826860148.db2.gz SNHWPXRECANZKA-LSDHHAIUSA-N 1 3 343.468 -0.280 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CC(=O)NC3=O)CC2)CC1 ZINC001119898304 827158903 /nfs/dbraw/zinc/15/89/03/827158903.db2.gz KHKABZSDOSCJJB-GFCCVEGCSA-N 1 3 336.436 -0.286 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653069 833170538 /nfs/dbraw/zinc/17/05/38/833170538.db2.gz VCKVJEXLGOBQJB-ZIAGYGMSSA-N 1 3 346.497 -0.447 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288293 833285729 /nfs/dbraw/zinc/28/57/29/833285729.db2.gz CCNLCGVGVABSQN-NWDGAFQWSA-N 1 3 339.440 -0.495 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183392563 833288975 /nfs/dbraw/zinc/28/89/75/833288975.db2.gz YDQZMJVTCLGXGA-NEPJUHHUSA-N 1 3 325.413 -0.754 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183392563 833288979 /nfs/dbraw/zinc/28/89/79/833288979.db2.gz YDQZMJVTCLGXGA-NEPJUHHUSA-N 1 3 325.413 -0.754 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436613 833290467 /nfs/dbraw/zinc/29/04/67/833290467.db2.gz OSVALECWOZDDTO-ZBFHGGJFSA-N 1 3 342.484 -0.084 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001183509773 833292650 /nfs/dbraw/zinc/29/26/50/833292650.db2.gz MWJSUUJFROGXEE-MLGOLLRUSA-N 1 3 341.456 -0.404 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183582065 833296248 /nfs/dbraw/zinc/29/62/48/833296248.db2.gz QRBJLJGVHUAHNQ-JHJVBQTASA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081791 828248569 /nfs/dbraw/zinc/24/85/69/828248569.db2.gz BPEMGIAXKGEZQV-RYUDHWBXSA-N 1 3 327.429 -0.591 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081791 828248572 /nfs/dbraw/zinc/24/85/72/828248572.db2.gz BPEMGIAXKGEZQV-RYUDHWBXSA-N 1 3 327.429 -0.591 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257197 828269907 /nfs/dbraw/zinc/26/99/07/828269907.db2.gz WGYPUHXWGNZQTM-QWHCGFSZSA-N 1 3 339.440 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257197 828269916 /nfs/dbraw/zinc/26/99/16/828269916.db2.gz WGYPUHXWGNZQTM-QWHCGFSZSA-N 1 3 339.440 -0.588 20 0 EBADHO CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940139 833313543 /nfs/dbraw/zinc/31/35/43/833313543.db2.gz QQYMHOCEJCAZRJ-CYBMUJFWSA-N 1 3 344.481 -0.646 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCOC1 ZINC001127481176 828297679 /nfs/dbraw/zinc/29/76/79/828297679.db2.gz QOLDNERUQJECEK-DZGCQCFKSA-N 1 3 338.452 -0.813 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NCCNCC(=O)N2CCCC2)n1 ZINC001127562378 828303595 /nfs/dbraw/zinc/30/35/95/828303595.db2.gz JAXJSMPDSGLDMW-UHFFFAOYSA-N 1 3 336.440 -0.614 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659479 828311634 /nfs/dbraw/zinc/31/16/34/828311634.db2.gz CJZUDSOBVGGCPY-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659479 828311636 /nfs/dbraw/zinc/31/16/36/828311636.db2.gz CJZUDSOBVGGCPY-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001127685805 828314978 /nfs/dbraw/zinc/31/49/78/828314978.db2.gz UWOJVRMFMDWAJE-UKRRQHHQSA-N 1 3 333.436 -0.256 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2cccnc2)CC[N@H+]1C ZINC001127685805 828314987 /nfs/dbraw/zinc/31/49/87/828314987.db2.gz UWOJVRMFMDWAJE-UKRRQHHQSA-N 1 3 333.436 -0.256 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760977 828321652 /nfs/dbraw/zinc/32/16/52/828321652.db2.gz WTOFGYIARNDCJY-LSDHHAIUSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760977 828321661 /nfs/dbraw/zinc/32/16/61/828321661.db2.gz WTOFGYIARNDCJY-LSDHHAIUSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778457 828324800 /nfs/dbraw/zinc/32/48/00/828324800.db2.gz FJTDCHCLACHEER-OLZOCXBDSA-N 1 3 326.441 -0.530 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778457 828324808 /nfs/dbraw/zinc/32/48/08/828324808.db2.gz FJTDCHCLACHEER-OLZOCXBDSA-N 1 3 326.441 -0.530 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC001127778489 828325267 /nfs/dbraw/zinc/32/52/67/828325267.db2.gz GAUFUIBFELDOIP-LSDHHAIUSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC001127778489 828325277 /nfs/dbraw/zinc/32/52/77/828325277.db2.gz GAUFUIBFELDOIP-LSDHHAIUSA-N 1 3 338.452 -0.432 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777701 828325979 /nfs/dbraw/zinc/32/59/79/828325979.db2.gz BGIZSRIQZJSPPX-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777701 828325984 /nfs/dbraw/zinc/32/59/84/828325984.db2.gz BGIZSRIQZJSPPX-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185447185 833358729 /nfs/dbraw/zinc/35/87/29/833358729.db2.gz XKKRWYFBLGZMLX-DGCLKSJQSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185456047 833359426 /nfs/dbraw/zinc/35/94/26/833359426.db2.gz YFUKDPNOJOZAAK-YNEHKIRRSA-N 1 3 341.456 -0.393 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185550564 833360997 /nfs/dbraw/zinc/36/09/97/833360997.db2.gz UUGZGRJNNZSDOW-QWHCGFSZSA-N 1 3 341.456 -0.403 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650764 833365155 /nfs/dbraw/zinc/36/51/55/833365155.db2.gz MCMDVVUMAHMHBU-VXGBXAGGSA-N 1 3 325.413 -0.883 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650764 833365156 /nfs/dbraw/zinc/36/51/56/833365156.db2.gz MCMDVVUMAHMHBU-VXGBXAGGSA-N 1 3 325.413 -0.883 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)N(C)C ZINC001185716440 833367923 /nfs/dbraw/zinc/36/79/23/833367923.db2.gz YBOHAJBJHBUKQF-KGLIPLIRSA-N 1 3 348.513 -0.201 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185715998 833368063 /nfs/dbraw/zinc/36/80/63/833368063.db2.gz NMXBOGDLGCRFMM-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131520014 829152405 /nfs/dbraw/zinc/15/24/05/829152405.db2.gz QUVPWYFLDLEZRC-GNHJJJEISA-N 1 3 331.420 -0.146 20 0 EBADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)cn1 ZINC001131520014 829152408 /nfs/dbraw/zinc/15/24/08/829152408.db2.gz QUVPWYFLDLEZRC-GNHJJJEISA-N 1 3 331.420 -0.146 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521863 829154737 /nfs/dbraw/zinc/15/47/37/829154737.db2.gz JZJHGIVAIXROSG-DXMOGKONSA-N 1 3 336.436 -0.778 20 0 EBADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521863 829154745 /nfs/dbraw/zinc/15/47/45/829154745.db2.gz JZJHGIVAIXROSG-DXMOGKONSA-N 1 3 336.436 -0.778 20 0 EBADHO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CS(C)(=O)=O ZINC001185926560 833378444 /nfs/dbraw/zinc/37/84/44/833378444.db2.gz XEFBKVBYANRXDZ-NWDGAFQWSA-N 1 3 328.438 -0.177 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185926659 833378470 /nfs/dbraw/zinc/37/84/70/833378470.db2.gz ZJMGCCQFEQRAMK-LLVKDONJSA-N 1 3 334.380 -0.915 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554781 833405739 /nfs/dbraw/zinc/40/57/39/833405739.db2.gz GRLPWLHFLBTJMF-CYBMUJFWSA-N 1 3 339.440 -0.636 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)CN1CCOCCO ZINC001132425506 829454832 /nfs/dbraw/zinc/45/48/32/829454832.db2.gz ILPRODFLFFQAMU-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)C1 ZINC001132738434 829512289 /nfs/dbraw/zinc/51/22/89/829512289.db2.gz CTKOHEOQZPGZQJ-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)C1 ZINC001132738434 829512293 /nfs/dbraw/zinc/51/22/93/829512293.db2.gz CTKOHEOQZPGZQJ-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132892855 829546062 /nfs/dbraw/zinc/54/60/62/829546062.db2.gz CSFBZYJLGHJNIM-STQMWFEESA-N 1 3 334.486 -0.638 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132892855 829546064 /nfs/dbraw/zinc/54/60/64/829546064.db2.gz CSFBZYJLGHJNIM-STQMWFEESA-N 1 3 334.486 -0.638 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC(=O)NC2CC2)CC1 ZINC001132993018 829567698 /nfs/dbraw/zinc/56/76/98/829567698.db2.gz JPQPTLPNPNENST-UHFFFAOYSA-N 1 3 325.413 -0.978 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992555 829568209 /nfs/dbraw/zinc/56/82/09/829568209.db2.gz BQFKAKLVFIAOEH-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC1 ZINC001132993083 829568242 /nfs/dbraw/zinc/56/82/42/829568242.db2.gz MTLFBMBUDGSOLC-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995395 829569027 /nfs/dbraw/zinc/56/90/27/829569027.db2.gz RMHXRHUACHFCEF-GFCCVEGCSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)CCOCCNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133300405 829617949 /nfs/dbraw/zinc/61/79/49/829617949.db2.gz ZLZLOPIFHAVSTB-UHFFFAOYSA-N 1 3 330.473 -0.177 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CCCCC1 ZINC001133297701 829617980 /nfs/dbraw/zinc/61/79/80/829617980.db2.gz RLOZYAOKTYPCPB-UHFFFAOYSA-N 1 3 341.456 -0.198 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347290 829624936 /nfs/dbraw/zinc/62/49/36/829624936.db2.gz VTVGNZYGMKDYAS-OLZOCXBDSA-N 1 3 341.456 -0.404 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347291 829624998 /nfs/dbraw/zinc/62/49/98/829624998.db2.gz VTVGNZYGMKDYAS-QWHCGFSZSA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001133819974 829680277 /nfs/dbraw/zinc/68/02/77/829680277.db2.gz UIBUZOZJIIGUCO-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001133819974 829680278 /nfs/dbraw/zinc/68/02/78/829680278.db2.gz UIBUZOZJIIGUCO-KBPBESRZSA-N 1 3 326.441 -0.528 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001133823983 829681101 /nfs/dbraw/zinc/68/11/01/829681101.db2.gz UYYYSOVWUBBRKD-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834445 829682173 /nfs/dbraw/zinc/68/21/73/829682173.db2.gz YDGWKXAJKXTLCP-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834445 829682177 /nfs/dbraw/zinc/68/21/77/829682177.db2.gz YDGWKXAJKXTLCP-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001133846353 829684995 /nfs/dbraw/zinc/68/49/95/829684995.db2.gz ZGLQBBCXGXCKRW-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001133846353 829685002 /nfs/dbraw/zinc/68/50/02/829685002.db2.gz ZGLQBBCXGXCKRW-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001133845522 829685028 /nfs/dbraw/zinc/68/50/28/829685028.db2.gz IAKOBJAKCREVQX-KBPBESRZSA-N 1 3 331.482 -0.141 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850898 829687375 /nfs/dbraw/zinc/68/73/75/829687375.db2.gz QPWHWLRKOJBKIP-ZDUSSCGKSA-N 1 3 341.456 -0.340 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850898 829687383 /nfs/dbraw/zinc/68/73/83/829687383.db2.gz QPWHWLRKOJBKIP-ZDUSSCGKSA-N 1 3 341.456 -0.340 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001133856642 829688103 /nfs/dbraw/zinc/68/81/03/829688103.db2.gz MQODBMPMLMQPOT-BDJLRTHQSA-N 1 3 342.415 -0.290 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001133856642 829688110 /nfs/dbraw/zinc/68/81/10/829688110.db2.gz MQODBMPMLMQPOT-BDJLRTHQSA-N 1 3 342.415 -0.290 20 0 EBADHO CN(CC[NH2+]CCNC(=O)CN1CCC(C)(C)C1)S(C)(=O)=O ZINC001133897096 829695265 /nfs/dbraw/zinc/69/52/65/829695265.db2.gz YUFRHYNIGHONRV-UHFFFAOYSA-N 1 3 334.486 -0.685 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896735 829695331 /nfs/dbraw/zinc/69/53/31/829695331.db2.gz QVYAMCYAVCLSFU-UHFFFAOYSA-N 1 3 334.486 -0.637 20 0 EBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896726 829695480 /nfs/dbraw/zinc/69/54/80/829695480.db2.gz QLMNTYWNSMCHMQ-HUUCEWRRSA-N 1 3 345.484 -0.164 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001133968068 829707668 /nfs/dbraw/zinc/70/76/68/829707668.db2.gz MTYGXBARDGXWTQ-JQWIXIFHSA-N 1 3 327.429 -0.591 20 0 EBADHO C[C@@H](COCC(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021117 829713365 /nfs/dbraw/zinc/71/33/65/829713365.db2.gz RNWGXRDRGNUMGQ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)NC(=O)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134058270 829719674 /nfs/dbraw/zinc/71/96/74/829719674.db2.gz HIFULYQZDAKRNJ-AWEZNQCLSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134758117 829840273 /nfs/dbraw/zinc/84/02/73/829840273.db2.gz WMDRQSJKNHDJDA-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO C[C@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC1CC1 ZINC001135118453 829900345 /nfs/dbraw/zinc/90/03/45/829900345.db2.gz NQIYUZHHHJMEBR-LBPRGKRZSA-N 1 3 336.440 -0.569 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474407 829973285 /nfs/dbraw/zinc/97/32/85/829973285.db2.gz PHVQHJGUJFSSHC-NWDGAFQWSA-N 1 3 329.445 -0.358 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)C(C)C ZINC001135478022 829974186 /nfs/dbraw/zinc/97/41/86/829974186.db2.gz TWVFIFLVRSVUEK-JSGCOSHPSA-N 1 3 326.441 -0.136 20 0 EBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001135958874 830052285 /nfs/dbraw/zinc/05/22/85/830052285.db2.gz HOEXKQGJXVKTIV-UHFFFAOYSA-N 1 3 326.441 -0.575 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979938 830056401 /nfs/dbraw/zinc/05/64/01/830056401.db2.gz KHXAFDRFKIFOSX-NEPJUHHUSA-N 1 3 329.445 -0.343 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599614 830212104 /nfs/dbraw/zinc/21/21/04/830212104.db2.gz CIWGLYIHEAXJKM-STQMWFEESA-N 1 3 336.502 -0.251 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NCC(C)C ZINC001146711093 830223353 /nfs/dbraw/zinc/22/33/53/830223353.db2.gz OHGAMTPHDMMBJZ-UHFFFAOYSA-N 1 3 329.445 -0.484 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NCC(C)C ZINC001146711093 830223357 /nfs/dbraw/zinc/22/33/57/830223357.db2.gz OHGAMTPHDMMBJZ-UHFFFAOYSA-N 1 3 329.445 -0.484 20 0 EBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147338992 830325256 /nfs/dbraw/zinc/32/52/56/830325256.db2.gz DXJHERSUWRFFGM-CQSZACIVSA-N 1 3 336.436 -0.381 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725093 830401434 /nfs/dbraw/zinc/40/14/34/830401434.db2.gz SEZOVFBJCHHYEZ-CABCVRRESA-N 1 3 325.453 -0.132 20 0 EBADHO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725093 830401437 /nfs/dbraw/zinc/40/14/37/830401437.db2.gz SEZOVFBJCHHYEZ-CABCVRRESA-N 1 3 325.453 -0.132 20 0 EBADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2)C1CC1 ZINC001147724197 830401504 /nfs/dbraw/zinc/40/15/04/830401504.db2.gz HFZLPDPWBNMWBQ-HNNXBMFYSA-N 1 3 325.453 -0.130 20 0 EBADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2)C1CC1 ZINC001147724197 830401506 /nfs/dbraw/zinc/40/15/06/830401506.db2.gz HFZLPDPWBNMWBQ-HNNXBMFYSA-N 1 3 325.453 -0.130 20 0 EBADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001147826620 830416387 /nfs/dbraw/zinc/41/63/87/830416387.db2.gz YYMNVGBZZLMVNG-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824684 830416512 /nfs/dbraw/zinc/41/65/12/830416512.db2.gz MACPYJBYBYIRHC-NEPJUHHUSA-N 1 3 327.429 -0.732 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001147878269 830424774 /nfs/dbraw/zinc/42/47/74/830424774.db2.gz WYIDHOJUXJECMX-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001147878269 830424778 /nfs/dbraw/zinc/42/47/78/830424778.db2.gz WYIDHOJUXJECMX-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCCN2CCCS2(=O)=O)C1 ZINC001147885612 830425725 /nfs/dbraw/zinc/42/57/25/830425725.db2.gz NQWLNMQWCUEUON-CYBMUJFWSA-N 1 3 332.470 -0.931 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCCN2CCCS2(=O)=O)C1 ZINC001147885612 830425727 /nfs/dbraw/zinc/42/57/27/830425727.db2.gz NQWLNMQWCUEUON-CYBMUJFWSA-N 1 3 332.470 -0.931 20 0 EBADHO C[C@@H](NC(=O)CNCCNC(=O)COCC[NH+](C)C)c1ccco1 ZINC001147892997 830427475 /nfs/dbraw/zinc/42/74/75/830427475.db2.gz NFAKMSCQMFNHTJ-CYBMUJFWSA-N 1 3 340.424 -0.259 20 0 EBADHO O=C(NCCN[C@@H]1CCN(CC(F)(F)F)C1=O)C12CC[NH+](CC1)C2 ZINC001147994385 830435752 /nfs/dbraw/zinc/43/57/52/830435752.db2.gz GIRIJVFOZXCOSH-LLVKDONJSA-N 1 3 348.369 -0.049 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000480 830436960 /nfs/dbraw/zinc/43/69/60/830436960.db2.gz QSRMWMOQDWWWBR-CQSZACIVSA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001148577941 830511550 /nfs/dbraw/zinc/51/15/50/830511550.db2.gz KZTXMOKYXPNCAB-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001148577941 830511558 /nfs/dbraw/zinc/51/15/58/830511558.db2.gz KZTXMOKYXPNCAB-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOCC ZINC001148655658 830524585 /nfs/dbraw/zinc/52/45/85/830524585.db2.gz QRTNPQQXEMMGJS-AWEZNQCLSA-N 1 3 330.473 -0.035 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001148655179 830525291 /nfs/dbraw/zinc/52/52/91/830525291.db2.gz JMTMNSHARBDHAQ-UONOGXRCSA-N 1 3 328.457 -0.282 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 ZINC001150507576 830919300 /nfs/dbraw/zinc/91/93/00/830919300.db2.gz HOUPIKFJJNFDCD-OAHLLOKOSA-N 1 3 329.441 -0.703 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049679 831016386 /nfs/dbraw/zinc/01/63/86/831016386.db2.gz WAERSSFNVIUKKO-RYUDHWBXSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049679 831016396 /nfs/dbraw/zinc/01/63/96/831016396.db2.gz WAERSSFNVIUKKO-RYUDHWBXSA-N 1 3 341.456 -0.343 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)C1 ZINC001151049432 831016614 /nfs/dbraw/zinc/01/66/14/831016614.db2.gz OPIJMAPFUFQKKF-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)C1 ZINC001151049432 831016625 /nfs/dbraw/zinc/01/66/25/831016625.db2.gz OPIJMAPFUFQKKF-GFCCVEGCSA-N 1 3 339.440 -0.588 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCCOc2ccccc2)C1 ZINC001151066314 831020554 /nfs/dbraw/zinc/02/05/54/831020554.db2.gz SIYYYAORBACPPK-OAHLLOKOSA-N 1 3 348.447 -0.161 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCCOc2ccccc2)C1 ZINC001151066314 831020564 /nfs/dbraw/zinc/02/05/64/831020564.db2.gz SIYYYAORBACPPK-OAHLLOKOSA-N 1 3 348.447 -0.161 20 0 EBADHO COc1cncc(CNCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001151156672 831035513 /nfs/dbraw/zinc/03/55/13/831035513.db2.gz GFMCZTQSLCMROZ-ZDUSSCGKSA-N 1 3 337.424 -0.341 20 0 EBADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC(=O)NC1CC1 ZINC001152223280 831143808 /nfs/dbraw/zinc/14/38/08/831143808.db2.gz KSGJVYYLPPCKRT-UHFFFAOYSA-N 1 3 339.440 -0.444 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152384281 831156266 /nfs/dbraw/zinc/15/62/66/831156266.db2.gz PGOBXSHHHPEPII-GFCCVEGCSA-N 1 3 349.435 -0.088 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445864 831164292 /nfs/dbraw/zinc/16/42/92/831164292.db2.gz PUGNUGIQIFTXRJ-CQSZACIVSA-N 1 3 330.473 -0.036 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152451615 831164423 /nfs/dbraw/zinc/16/44/23/831164423.db2.gz ATOGROPPWDHCAS-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001152479756 831166606 /nfs/dbraw/zinc/16/66/06/831166606.db2.gz JSHFBSZLSUDBMT-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314531 831221738 /nfs/dbraw/zinc/22/17/38/831221738.db2.gz LJGDXUDWGDQGDH-UHFFFAOYSA-N 1 3 341.456 -0.196 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001155791054 831429691 /nfs/dbraw/zinc/42/96/91/831429691.db2.gz RMLHFFOFPZUVSU-AWEZNQCLSA-N 1 3 326.441 -0.528 20 0 EBADHO CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390795 831473394 /nfs/dbraw/zinc/47/33/94/831473394.db2.gz XJHRJEZZRCIFDL-CQSZACIVSA-N 1 3 343.472 -0.584 20 0 EBADHO O=C(C[C@@H]1Cc2ccccc2CN1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092296 831627308 /nfs/dbraw/zinc/62/73/08/831627308.db2.gz MVGFGHKUNVMKJD-MAUKXSAKSA-N 1 3 328.416 -0.219 20 0 EBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001158413892 831652756 /nfs/dbraw/zinc/65/27/56/831652756.db2.gz BTOFZNDHOOJQPD-OGHNNQOOSA-N 1 3 337.420 -0.634 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001158486585 831658465 /nfs/dbraw/zinc/65/84/65/831658465.db2.gz OSEANZBLEQLZPE-HUUCEWRRSA-N 1 3 349.435 -0.056 20 0 EBADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001158486585 831658468 /nfs/dbraw/zinc/65/84/68/831658468.db2.gz OSEANZBLEQLZPE-HUUCEWRRSA-N 1 3 349.435 -0.056 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508869 831662295 /nfs/dbraw/zinc/66/22/95/831662295.db2.gz XHOFPOWLAZFMSW-WCQYABFASA-N 1 3 325.438 -0.003 20 0 EBADHO O=C(NCCCNCc1cnns1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158508869 831662299 /nfs/dbraw/zinc/66/22/99/831662299.db2.gz XHOFPOWLAZFMSW-WCQYABFASA-N 1 3 325.438 -0.003 20 0 EBADHO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNC(=O)[C@@H](N)COC(C)(C)C ZINC001158630512 831671171 /nfs/dbraw/zinc/67/11/71/831671171.db2.gz RYXOSNQJUCPSCW-XQQFMLRXSA-N 1 3 328.457 -0.204 20 0 EBADHO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNC(=O)[C@@H](N)COC(C)(C)C ZINC001158630512 831671174 /nfs/dbraw/zinc/67/11/74/831671174.db2.gz RYXOSNQJUCPSCW-XQQFMLRXSA-N 1 3 328.457 -0.204 20 0 EBADHO N[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)C1CC[NH2+]CC1 ZINC001158968098 831698778 /nfs/dbraw/zinc/69/87/78/831698778.db2.gz LRMXBUJFTWPKLC-ILXRZTDVSA-N 1 3 346.435 -0.781 20 0 EBADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]21 ZINC001159109510 831708920 /nfs/dbraw/zinc/70/89/20/831708920.db2.gz YHMSCXMDIJAODO-MROQNXINSA-N 1 3 344.481 -0.995 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](F)CN(CC)CC ZINC001159155093 831712357 /nfs/dbraw/zinc/71/23/57/831712357.db2.gz ISZNCELPMILAHO-GFCCVEGCSA-N 1 3 347.435 -0.392 20 0 EBADHO CO[C@@H]1CCN(C(=O)CNCC[NH3+])[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159317458 831739362 /nfs/dbraw/zinc/73/93/62/831739362.db2.gz VDKROUPSFZQWFH-GVDBMIGSSA-N 1 3 347.463 -0.322 20 0 EBADHO O=C([C@H]1C[NH2+]CCN1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666001 831769771 /nfs/dbraw/zinc/76/97/71/831769771.db2.gz NPOKSLZBMVIOIY-IXDOHACOSA-N 1 3 345.447 -0.555 20 0 EBADHO O=C([C@H]1C[NH2+]CCN1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665998 831769805 /nfs/dbraw/zinc/76/98/05/831769805.db2.gz NPOKSLZBMVIOIY-BRWVUGGUSA-N 1 3 345.447 -0.555 20 0 EBADHO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H](N)CCC[NH3+])C3)CC2=O)cn1 ZINC001159750403 831778588 /nfs/dbraw/zinc/77/85/88/831778588.db2.gz KEEOKLCJGFUWBE-BBRMVZONSA-N 1 3 334.424 -0.558 20 0 EBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854970 831789056 /nfs/dbraw/zinc/78/90/56/831789056.db2.gz YBNJTRZWAHHYPS-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914650 831797287 /nfs/dbraw/zinc/79/72/87/831797287.db2.gz FHEZYOYDYXFOAU-WCQYABFASA-N 1 3 341.456 -0.343 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932423 831799249 /nfs/dbraw/zinc/79/92/49/831799249.db2.gz QTHLZUXQZIRAKA-CYBMUJFWSA-N 1 3 334.486 -0.638 20 0 EBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997309 831803409 /nfs/dbraw/zinc/80/34/09/831803409.db2.gz LLKKYYMBPMNTKW-GDBMZVCRSA-N 1 3 345.484 -0.021 20 0 EBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC001159997601 831804633 /nfs/dbraw/zinc/80/46/33/831804633.db2.gz TWYGSOKFDRWQRU-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001160191315 831823564 /nfs/dbraw/zinc/82/35/64/831823564.db2.gz JTLLLGKVSAEGBG-AYDFFVQHSA-N 1 3 346.475 -0.051 20 0 EBADHO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160381886 831842500 /nfs/dbraw/zinc/84/25/00/831842500.db2.gz GUKQRMJEYRNFGY-CYBMUJFWSA-N 1 3 337.472 -0.083 20 0 EBADHO O=C(N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160405734 831844905 /nfs/dbraw/zinc/84/49/05/831844905.db2.gz YVABPCSVKBWHBI-ORDFZIBCSA-N 1 3 335.448 -0.162 20 0 EBADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160584779 831867470 /nfs/dbraw/zinc/86/74/70/831867470.db2.gz GSSYCBICIIKWJO-ZDUSSCGKSA-N 1 3 334.486 -0.978 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647194 831875128 /nfs/dbraw/zinc/87/51/28/831875128.db2.gz AGHMXMUSGGLALP-TUAOUCFPSA-N 1 3 338.387 -0.788 20 0 EBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001160695835 831879216 /nfs/dbraw/zinc/87/92/16/831879216.db2.gz RAZIPALHDLSFGE-KBPBESRZSA-N 1 3 348.451 -0.228 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160742943 831881817 /nfs/dbraw/zinc/88/18/17/831881817.db2.gz SSWUJVDPKRQYRG-AWEZNQCLSA-N 1 3 326.441 -0.271 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771560 831884831 /nfs/dbraw/zinc/88/48/31/831884831.db2.gz AEPLYXGLLJKVSN-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)C[C@H]3CNCCO3)C[C@H]1C[NH2+]CC2 ZINC001160813285 831889959 /nfs/dbraw/zinc/88/99/59/831889959.db2.gz YUFVIGOKWTZXFA-DVOMOZLQSA-N 1 3 325.409 -0.634 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]1C[NH2+]CC2 ZINC001160813129 831890204 /nfs/dbraw/zinc/89/02/04/831890204.db2.gz VCJOTNGVLSYOND-NSICUMQXSA-N 1 3 345.465 -0.917 20 0 EBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160823491 831891934 /nfs/dbraw/zinc/89/19/34/831891934.db2.gz HGJRTNXIZKQEON-YPMHNXCESA-N 1 3 333.392 -0.792 20 0 EBADHO COc1cccnc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160846997 831893863 /nfs/dbraw/zinc/89/38/63/831893863.db2.gz USVQTUZUILCPMI-RDTXWAMCSA-N 1 3 345.447 -0.062 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001160889322 831903696 /nfs/dbraw/zinc/90/36/96/831903696.db2.gz IFFUHIYUJLHWBV-WCQYABFASA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)N(C)C ZINC001160889058 831904133 /nfs/dbraw/zinc/90/41/33/831904133.db2.gz AVRBFXPPESBMGK-QWHCGFSZSA-N 1 3 343.472 -0.985 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010749 831913900 /nfs/dbraw/zinc/91/39/00/831913900.db2.gz MEIPGGYTQWTOGZ-CQSZACIVSA-N 1 3 342.399 -0.121 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)COC1(C)C ZINC001161083830 831920997 /nfs/dbraw/zinc/92/09/97/831920997.db2.gz UOOLFLLVHXRBPU-CRWXNKLISA-N 1 3 338.452 -0.150 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)COC1(C)C ZINC001161083830 831921003 /nfs/dbraw/zinc/92/10/03/831921003.db2.gz UOOLFLLVHXRBPU-CRWXNKLISA-N 1 3 338.452 -0.150 20 0 EBADHO COC(=O)[C@]1(N)CCN(C(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001161137734 831929885 /nfs/dbraw/zinc/92/98/85/831929885.db2.gz GLZSIAKKJAFGCO-GUYCJALGSA-N 1 3 338.452 -0.447 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271184 831943737 /nfs/dbraw/zinc/94/37/37/831943737.db2.gz WWKNYECJKCSZGF-GJZGRUSLSA-N 1 3 348.451 -0.062 20 0 EBADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CNCc4ccnn4C3)C2)CC1 ZINC001161373312 831951240 /nfs/dbraw/zinc/95/12/40/831951240.db2.gz NYSNRGRJIAJBKT-XJKSGUPXSA-N 1 3 332.452 -0.374 20 0 EBADHO CN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001161532140 831970384 /nfs/dbraw/zinc/97/03/84/831970384.db2.gz NXRSCVVKENAJTK-KBPBESRZSA-N 1 3 337.468 -0.792 20 0 EBADHO COC(=O)CC[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161567253 831973404 /nfs/dbraw/zinc/97/34/04/831973404.db2.gz VEUKOQZROOJEHV-XJKCOSOUSA-N 1 3 325.409 -0.634 20 0 EBADHO Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872438 832068242 /nfs/dbraw/zinc/06/82/42/832068242.db2.gz RRPSXCYIWOFYQB-UGWHAMFMSA-N 1 3 334.424 -0.726 20 0 EBADHO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001162872627 832070018 /nfs/dbraw/zinc/07/00/18/832070018.db2.gz YNLGMKUJPZMNJD-YXXKGXSTSA-N 1 3 336.436 -0.824 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165810161 832239108 /nfs/dbraw/zinc/23/91/08/832239108.db2.gz XQNQCZRJQDYRAC-UHFFFAOYSA-N 1 3 341.456 -0.212 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001166003992 832246234 /nfs/dbraw/zinc/24/62/34/832246234.db2.gz AFADKCNJJJUSIC-CQSZACIVSA-N 1 3 341.456 -0.343 20 0 EBADHO COC(C)(C)[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001351593267 832256268 /nfs/dbraw/zinc/25/62/68/832256268.db2.gz POUXBADHSSHFHA-ZDUSSCGKSA-N 1 3 330.473 -0.132 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626185 832274792 /nfs/dbraw/zinc/27/47/92/832274792.db2.gz CCEQUIHCRILMPU-CABCVRRESA-N 1 3 331.457 -0.410 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633848 832275973 /nfs/dbraw/zinc/27/59/73/832275973.db2.gz KWDKHVLBLXYHEC-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668179 832277727 /nfs/dbraw/zinc/27/77/27/832277727.db2.gz UKBSXYLZCIUURF-ZDUSSCGKSA-N 1 3 341.456 -0.340 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001166678534 832280568 /nfs/dbraw/zinc/28/05/68/832280568.db2.gz WFTZZQNNVAQRLD-CYBMUJFWSA-N 1 3 339.440 -0.634 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166736797 832285368 /nfs/dbraw/zinc/28/53/68/832285368.db2.gz UADXWJCUQRDTSU-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C ZINC001166852887 832294208 /nfs/dbraw/zinc/29/42/08/832294208.db2.gz XSXIWGUTXASMPQ-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CCCNS(=O)(=O)CC)N(C)C ZINC001166857983 832294582 /nfs/dbraw/zinc/29/45/82/832294582.db2.gz JARCEYFLDJRIMU-ZDUSSCGKSA-N 1 3 336.502 -0.248 20 0 EBADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001167480845 832344323 /nfs/dbraw/zinc/34/43/23/832344323.db2.gz TVDAVOXPDVXBRK-LBPRGKRZSA-N 1 3 341.456 -0.212 20 0 EBADHO O=C(N[C@@H]1CCCN2CCSC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001353467658 832429186 /nfs/dbraw/zinc/42/91/86/832429186.db2.gz PELWFNLJEDHQAU-ZIAGYGMSSA-N 1 3 327.498 -0.229 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001168763070 832434356 /nfs/dbraw/zinc/43/43/56/832434356.db2.gz JHXVMCYNAYJZIM-UHFFFAOYSA-N 1 3 341.456 -0.246 20 0 EBADHO CO[C@H]1C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001353814502 832448226 /nfs/dbraw/zinc/44/82/26/832448226.db2.gz HOWIJDLHCFOULK-HDJSIYSDSA-N 1 3 328.457 -0.521 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCCNCC(=O)Nc1nncs1 ZINC001170211895 832492098 /nfs/dbraw/zinc/49/20/98/832492098.db2.gz QNGFZLUSYZYCHH-UHFFFAOYSA-N 1 3 328.442 -0.086 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCCNCC(=O)Nc1nncs1 ZINC001170211895 832492106 /nfs/dbraw/zinc/49/21/06/832492106.db2.gz QNGFZLUSYZYCHH-UHFFFAOYSA-N 1 3 328.442 -0.086 20 0 EBADHO C[C@H](NCCCNC(=O)C12CC[NH+](CC1)C2)C(=O)Nc1ncccn1 ZINC001171311202 832555723 /nfs/dbraw/zinc/55/57/23/832555723.db2.gz OYLPOJJEGYGXFD-ZDUSSCGKSA-N 1 3 346.435 -0.005 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001171770656 832575766 /nfs/dbraw/zinc/57/57/66/832575766.db2.gz WOFIHAXTAGLITK-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO C[C@H](NCCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049161 832654007 /nfs/dbraw/zinc/65/40/07/832654007.db2.gz JJYQBEHBFIKIJK-QWHCGFSZSA-N 1 3 334.424 -0.149 20 0 EBADHO C[C@H](NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049161 832654012 /nfs/dbraw/zinc/65/40/12/832654012.db2.gz JJYQBEHBFIKIJK-QWHCGFSZSA-N 1 3 334.424 -0.149 20 0 EBADHO Cn1ccc(N2CC[C@@H](NCCCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057531 832654455 /nfs/dbraw/zinc/65/44/55/832654455.db2.gz PRHZPITZGSBINY-ZIAGYGMSSA-N 1 3 348.451 -0.427 20 0 EBADHO Cn1ccc(N2CC[C@@H](NCCCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2=O)n1 ZINC001176057531 832654457 /nfs/dbraw/zinc/65/44/57/832654457.db2.gz PRHZPITZGSBINY-ZIAGYGMSSA-N 1 3 348.451 -0.427 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001176992284 832727807 /nfs/dbraw/zinc/72/78/07/832727807.db2.gz LEEKDEVWOASNJD-HZPDHXFCSA-N 1 3 345.484 -0.019 20 0 EBADHO CN(CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001178701995 832902412 /nfs/dbraw/zinc/90/24/12/832902412.db2.gz IGQYTPFMMBNEGM-UHFFFAOYSA-N 1 3 341.456 -0.068 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534719 832985685 /nfs/dbraw/zinc/98/56/85/832985685.db2.gz SNLXNYAFMIKUPE-AVGNSLFASA-N 1 3 339.440 -0.495 20 0 EBADHO CNC(=O)CN[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561087 832988644 /nfs/dbraw/zinc/98/86/44/832988644.db2.gz AFGONRQTACQELI-ILXRZTDVSA-N 1 3 340.468 -0.188 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1 ZINC001187083818 833897717 /nfs/dbraw/zinc/89/77/17/833897717.db2.gz SLUGSCNWNBIMOA-CHWSQXEVSA-N 1 3 332.470 -0.932 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)C1 ZINC001187083818 833897733 /nfs/dbraw/zinc/89/77/33/833897733.db2.gz SLUGSCNWNBIMOA-CHWSQXEVSA-N 1 3 332.470 -0.932 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)NC2CCCC2)C1 ZINC001187115207 833903177 /nfs/dbraw/zinc/90/31/77/833903177.db2.gz GCSMTEXGEQIGQI-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001187291068 833915833 /nfs/dbraw/zinc/91/58/33/833915833.db2.gz GDUPUALDSWLOSD-GFCCVEGCSA-N 1 3 327.429 -0.636 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001187328147 833920673 /nfs/dbraw/zinc/92/06/73/833920673.db2.gz BRUAUECDMZCTGH-LSDHHAIUSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001188158466 834018068 /nfs/dbraw/zinc/01/80/68/834018068.db2.gz PFHMFRPRLWCHGJ-CYBMUJFWSA-N 1 3 339.440 -0.541 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189906804 834208449 /nfs/dbraw/zinc/20/84/49/834208449.db2.gz PCLIWSVACACVLM-MELADBBJSA-N 1 3 336.436 -0.334 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189906804 834208453 /nfs/dbraw/zinc/20/84/53/834208453.db2.gz PCLIWSVACACVLM-MELADBBJSA-N 1 3 336.436 -0.334 20 0 EBADHO COCCOC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001192253104 834631792 /nfs/dbraw/zinc/63/17/92/834631792.db2.gz PMUBEUOBPXQECI-BBWFWOEESA-N 1 3 329.485 -0.032 20 0 EBADHO C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194027042 835002244 /nfs/dbraw/zinc/00/22/44/835002244.db2.gz OVQCNYNDJVTENO-CVEARBPZSA-N 1 3 335.452 -0.128 20 0 EBADHO C[N@@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194027042 835002254 /nfs/dbraw/zinc/00/22/54/835002254.db2.gz OVQCNYNDJVTENO-CVEARBPZSA-N 1 3 335.452 -0.128 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788715 835861081 /nfs/dbraw/zinc/86/10/81/835861081.db2.gz YEPJABMFHFLSEH-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704724 836020248 /nfs/dbraw/zinc/02/02/48/836020248.db2.gz PJNNVPIQDFTJKS-HZPDHXFCSA-N 1 3 343.468 -0.315 20 0 EBADHO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200705226 836020507 /nfs/dbraw/zinc/02/05/07/836020507.db2.gz VSPAISILRRELIK-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736770 836026987 /nfs/dbraw/zinc/02/69/87/836026987.db2.gz FKNBGODNPWQFJM-ZBFHGGJFSA-N 1 3 342.484 -0.084 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001200794820 836034828 /nfs/dbraw/zinc/03/48/28/836034828.db2.gz FVKZIWNLSXYCDH-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)C(=O)NC(N)=O ZINC001201066111 836088001 /nfs/dbraw/zinc/08/80/01/836088001.db2.gz FTLSMAPNUIBCNV-NSHDSACASA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001201149828 836103190 /nfs/dbraw/zinc/10/31/90/836103190.db2.gz MGYYBPMIAJKMOU-AWEZNQCLSA-N 1 3 348.513 -0.298 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001201275766 836120937 /nfs/dbraw/zinc/12/09/37/836120937.db2.gz AHEHCBLLFKKINW-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001201313954 836126890 /nfs/dbraw/zinc/12/68/90/836126890.db2.gz KHJDZYIYYXOOGJ-NSHDSACASA-N 1 3 341.456 -0.119 20 0 EBADHO CNC(=O)CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309626 836127061 /nfs/dbraw/zinc/12/70/61/836127061.db2.gz SBIKOUZLKXQGLI-AWEZNQCLSA-N 1 3 326.441 -0.719 20 0 EBADHO CN1CCC[C@H](NC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335033 836130966 /nfs/dbraw/zinc/13/09/66/836130966.db2.gz MMHBSSQUMPNJFB-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001201336586 836130980 /nfs/dbraw/zinc/13/09/80/836130980.db2.gz VVSIXQQPOSGNJU-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201402129 836139892 /nfs/dbraw/zinc/13/98/92/836139892.db2.gz BCUZZGDDHKWRMS-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201560158 836160501 /nfs/dbraw/zinc/16/05/01/836160501.db2.gz YTXVMQMAMKFIFG-GJZGRUSLSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201560158 836160504 /nfs/dbraw/zinc/16/05/04/836160504.db2.gz YTXVMQMAMKFIFG-GJZGRUSLSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001201800074 836193795 /nfs/dbraw/zinc/19/37/95/836193795.db2.gz CADJEGZDVNEGAZ-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001201800074 836193798 /nfs/dbraw/zinc/19/37/98/836193798.db2.gz CADJEGZDVNEGAZ-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863272 836207384 /nfs/dbraw/zinc/20/73/84/836207384.db2.gz JZGQKEBKONRJGP-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863272 836207392 /nfs/dbraw/zinc/20/73/92/836207392.db2.gz JZGQKEBKONRJGP-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872188 836209270 /nfs/dbraw/zinc/20/92/70/836209270.db2.gz LVOZIFQISITPPC-ZIAGYGMSSA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1)C(N)=O ZINC001201891091 836211762 /nfs/dbraw/zinc/21/17/62/836211762.db2.gz JIVUFQYHBHWDCJ-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201931200 836218160 /nfs/dbraw/zinc/21/81/60/836218160.db2.gz JANWWQZQMDWPGX-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO NC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202135504 836259389 /nfs/dbraw/zinc/25/93/89/836259389.db2.gz WKSILQYGENQMQG-CQSZACIVSA-N 1 3 326.441 -0.445 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162902 836263766 /nfs/dbraw/zinc/26/37/66/836263766.db2.gz BKNGEIGXACRLOM-CABCVRRESA-N 1 3 331.457 -0.459 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001202165540 836265556 /nfs/dbraw/zinc/26/55/56/836265556.db2.gz RKXIKPFJRKQHFL-OAHLLOKOSA-N 1 3 338.456 -0.175 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202165615 836265809 /nfs/dbraw/zinc/26/58/09/836265809.db2.gz SALIKLMZFQASQF-ZIAGYGMSSA-N 1 3 326.441 -0.578 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NC1CCOCC1 ZINC001202666844 836332970 /nfs/dbraw/zinc/33/29/70/836332970.db2.gz BYMSHXIXBCFZPG-UHFFFAOYSA-N 1 3 349.435 -0.172 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001204798931 836530111 /nfs/dbraw/zinc/53/01/11/836530111.db2.gz OWFMGBIBGBXQLZ-AWEZNQCLSA-N 1 3 346.497 -0.542 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205549129 836577578 /nfs/dbraw/zinc/57/75/78/836577578.db2.gz NSYHSQLKXANCMS-UHFFFAOYSA-N 1 3 341.456 -0.260 20 0 EBADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001206890425 836693691 /nfs/dbraw/zinc/69/36/91/836693691.db2.gz RFEORTNJMGYIGI-AWEZNQCLSA-N 1 3 338.452 -0.038 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688606 836845233 /nfs/dbraw/zinc/84/52/33/836845233.db2.gz RBEVIBAQHCHJED-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688607 836846284 /nfs/dbraw/zinc/84/62/84/836846284.db2.gz RBEVIBAQHCHJED-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CS(=O)(=O)CCN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208055766 836936814 /nfs/dbraw/zinc/93/68/14/836936814.db2.gz FJJPQFJHFAEYQP-GJZGRUSLSA-N 1 3 343.493 -0.047 20 0 EBADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001208330598 836997952 /nfs/dbraw/zinc/99/79/52/836997952.db2.gz ALEILBPQDFZZRG-RYUDHWBXSA-N 1 3 339.440 -0.365 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208357889 837005134 /nfs/dbraw/zinc/00/51/34/837005134.db2.gz DLTNZPJOESYZMS-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001208357889 837005143 /nfs/dbraw/zinc/00/51/43/837005143.db2.gz DLTNZPJOESYZMS-CHWSQXEVSA-N 1 3 339.440 -0.364 20 0 EBADHO C[C@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209314918 837155679 /nfs/dbraw/zinc/15/56/79/837155679.db2.gz MPDFPIMZFNEJEF-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001209443742 837166590 /nfs/dbraw/zinc/16/65/90/837166590.db2.gz APZKLUPNNGRXEU-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001209446479 837167491 /nfs/dbraw/zinc/16/74/91/837167491.db2.gz RQHCJVZNBFSPDN-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447055 837168261 /nfs/dbraw/zinc/16/82/61/837168261.db2.gz WKWAJYPPIPVVHY-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209715783 837193643 /nfs/dbraw/zinc/19/36/43/837193643.db2.gz LFUBQGYETZDFGZ-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001210669614 837315402 /nfs/dbraw/zinc/31/54/02/837315402.db2.gz YZUUKTAJBNCPBZ-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001210796760 837331142 /nfs/dbraw/zinc/33/11/42/837331142.db2.gz JOLCKUIQXWXSSB-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001210796760 837331154 /nfs/dbraw/zinc/33/11/54/837331154.db2.gz JOLCKUIQXWXSSB-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064430 837379276 /nfs/dbraw/zinc/37/92/76/837379276.db2.gz NKBJCPOTVNVRSA-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064430 837379289 /nfs/dbraw/zinc/37/92/89/837379289.db2.gz NKBJCPOTVNVRSA-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001321871255 839091070 /nfs/dbraw/zinc/09/10/70/839091070.db2.gz YIDQDJOSHTYERC-NSHDSACASA-N 1 3 325.413 -0.883 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001324129132 839595395 /nfs/dbraw/zinc/59/53/95/839595395.db2.gz KMXBYUYVHWUNPC-OLZOCXBDSA-N 1 3 337.424 -0.787 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)CC1 ZINC001324222379 839611300 /nfs/dbraw/zinc/61/13/00/839611300.db2.gz PRRPKCVIPQGARI-CQSZACIVSA-N 1 3 331.482 -0.047 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNCC(=O)N1CCC1 ZINC001326022945 840006411 /nfs/dbraw/zinc/00/64/11/840006411.db2.gz OFJLLVUCOPTPCP-OAHLLOKOSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNCC(=O)N1CCC1 ZINC001326022945 840006420 /nfs/dbraw/zinc/00/64/20/840006420.db2.gz OFJLLVUCOPTPCP-OAHLLOKOSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(CCCN(C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001327276497 840347784 /nfs/dbraw/zinc/34/77/84/840347784.db2.gz COMIVOHLWDBHLH-KBPBESRZSA-N 1 3 338.452 -0.086 20 0 EBADHO CN(CCCN(C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001327276497 840347794 /nfs/dbraw/zinc/34/77/94/840347794.db2.gz COMIVOHLWDBHLH-KBPBESRZSA-N 1 3 338.452 -0.086 20 0 EBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001327532285 840446546 /nfs/dbraw/zinc/44/65/46/840446546.db2.gz LIUPJOKOMNKTQO-GUTXKFCHSA-N 1 3 336.436 -0.966 20 0 EBADHO CNC(=O)[C@@H](C)NCC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001328208323 840621018 /nfs/dbraw/zinc/62/10/18/840621018.db2.gz YMXNXSQRQKQBRV-CQSZACIVSA-N 1 3 342.484 -0.204 20 0 EBADHO O=C(NCCCCCN1CCN(CCO)CC1)C12CC[NH+](CC1)C2 ZINC001328500590 840690605 /nfs/dbraw/zinc/69/06/05/840690605.db2.gz MDGWXGMSFKKXKB-UHFFFAOYSA-N 1 3 338.496 -0.021 20 0 EBADHO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001329057207 840829292 /nfs/dbraw/zinc/82/92/92/840829292.db2.gz POFDDDKUHAJUQL-NEPJUHHUSA-N 1 3 339.440 -0.495 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001329989843 841085534 /nfs/dbraw/zinc/08/55/34/841085534.db2.gz NMTRYOJIKVTUBB-CYBMUJFWSA-N 1 3 347.423 -0.965 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC001332303245 841610334 /nfs/dbraw/zinc/61/03/34/841610334.db2.gz SNBUNQOQCOPNDL-ILXRZTDVSA-N 1 3 339.484 -0.628 20 0 EBADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC001333883094 841960716 /nfs/dbraw/zinc/96/07/16/841960716.db2.gz GKKPDQPUCVTXBJ-JYJNAYRXSA-N 1 3 330.432 -0.152 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336650850 842526867 /nfs/dbraw/zinc/52/68/67/842526867.db2.gz UTZFFSCMWKUNRN-QLFBSQMISA-N 1 3 337.468 -0.909 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340206391 842981460 /nfs/dbraw/zinc/98/14/60/842981460.db2.gz RWNVUTPNDOSJLG-RHSMWYFYSA-N 1 3 340.468 -0.450 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC001343313510 843219622 /nfs/dbraw/zinc/21/96/22/843219622.db2.gz YTDGNTBBLGIRGM-LSDHHAIUSA-N 1 3 342.484 -0.131 20 0 EBADHO CN1CCC(O)(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001346250504 843492141 /nfs/dbraw/zinc/49/21/41/843492141.db2.gz FCIZBWWRLWOJCN-ZDUSSCGKSA-N 1 3 347.415 -0.310 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC001347075548 843588930 /nfs/dbraw/zinc/58/89/30/843588930.db2.gz SRNBOUZUSBKCLF-RYUDHWBXSA-N 1 3 348.407 -1.000 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC001347075548 843588937 /nfs/dbraw/zinc/58/89/37/843588937.db2.gz SRNBOUZUSBKCLF-RYUDHWBXSA-N 1 3 348.407 -1.000 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001691166929 1125840232 /nfs/dbraw/zinc/84/02/32/1125840232.db2.gz FXPMCZSPIIOWKE-IHRRRGAJSA-N 1 3 346.497 -0.638 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742826 1129252079 /nfs/dbraw/zinc/25/20/79/1129252079.db2.gz UZTVMBDVGNOFRX-ZYHUDNBSSA-N 1 3 327.429 -0.606 20 0 EBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@H](C)C1 ZINC001481847839 1126061175 /nfs/dbraw/zinc/06/11/75/1126061175.db2.gz JBACZPUELXOTTM-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001482060697 1126074889 /nfs/dbraw/zinc/07/48/89/1126074889.db2.gz NMPDLMSEMVGPIK-BZUAXINKSA-N 1 3 335.452 -0.081 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001493499617 1126105477 /nfs/dbraw/zinc/10/54/77/1126105477.db2.gz INYXRRNRNVBUJA-STQMWFEESA-N 1 3 341.456 -0.249 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001482355338 1126137210 /nfs/dbraw/zinc/13/72/10/1126137210.db2.gz FJCXFYBJXQRFMV-NEPJUHHUSA-N 1 3 329.445 -0.391 20 0 EBADHO CC(C)(C(=O)NC[C@@H](O)CNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001482755073 1126278017 /nfs/dbraw/zinc/27/80/17/1126278017.db2.gz BLLJPWGXBUKXJD-ZDUSSCGKSA-N 1 3 326.441 -0.794 20 0 EBADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001691558300 1126321350 /nfs/dbraw/zinc/32/13/50/1126321350.db2.gz HKZRFCIGSJIVSY-LBPRGKRZSA-N 1 3 341.456 -0.295 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001483098725 1126332804 /nfs/dbraw/zinc/33/28/04/1126332804.db2.gz SSZVKOPXEROCMP-BAABZTOOSA-N 1 3 336.436 -0.070 20 0 EBADHO CCS(=O)(=O)NCCNC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483144830 1126346297 /nfs/dbraw/zinc/34/62/97/1126346297.db2.gz FLICPUUMGJFKML-CYBMUJFWSA-N 1 3 346.497 -0.352 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369300 1126359410 /nfs/dbraw/zinc/35/94/10/1126359410.db2.gz BVRAOWAXWZSRLA-MNOVXSKESA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692618 1126393513 /nfs/dbraw/zinc/39/35/13/1126393513.db2.gz WEYQWQDIHGDUEB-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692618 1126393515 /nfs/dbraw/zinc/39/35/15/1126393515.db2.gz WEYQWQDIHGDUEB-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483274453 1126412824 /nfs/dbraw/zinc/41/28/24/1126412824.db2.gz BEUUBHCYCFFWDJ-NSHDSACASA-N 1 3 335.408 -0.349 20 0 EBADHO C[C@@H](CNCC(=O)NC1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284608 1126413661 /nfs/dbraw/zinc/41/36/61/1126413661.db2.gz PCJWKQIWQNYGAB-ZDUSSCGKSA-N 1 3 338.452 -0.528 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCN2CCNC2=O)C1 ZINC001483493207 1126431076 /nfs/dbraw/zinc/43/10/76/1126431076.db2.gz UYKQYEJQSQZHFM-CQSZACIVSA-N 1 3 325.457 -0.209 20 0 EBADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)NC(N)=O)CCCCC1)N(C)C ZINC001409780425 1126440668 /nfs/dbraw/zinc/44/06/68/1126440668.db2.gz LCCJKPIZMZZGRL-LBPRGKRZSA-N 1 3 341.456 -0.070 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001483742019 1126467505 /nfs/dbraw/zinc/46/75/05/1126467505.db2.gz DWHKCNPENLYIDU-CHWSQXEVSA-N 1 3 336.436 -0.096 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001483742019 1126467506 /nfs/dbraw/zinc/46/75/06/1126467506.db2.gz DWHKCNPENLYIDU-CHWSQXEVSA-N 1 3 336.436 -0.096 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001483742024 1126467590 /nfs/dbraw/zinc/46/75/90/1126467590.db2.gz DWHKCNPENLYIDU-STQMWFEESA-N 1 3 336.436 -0.096 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001483742024 1126467591 /nfs/dbraw/zinc/46/75/91/1126467591.db2.gz DWHKCNPENLYIDU-STQMWFEESA-N 1 3 336.436 -0.096 20 0 EBADHO C[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484356328 1126565143 /nfs/dbraw/zinc/56/51/43/1126565143.db2.gz KRMQAEUOBHKOAU-LSDHHAIUSA-N 1 3 337.468 -0.066 20 0 EBADHO CN(C(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CC1 ZINC001484686670 1126621860 /nfs/dbraw/zinc/62/18/60/1126621860.db2.gz ARDJZUMUZYZYDO-AWEZNQCLSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC001484898514 1126651576 /nfs/dbraw/zinc/65/15/76/1126651576.db2.gz HGPJWOWXDWRFIK-AAEUAGOBSA-N 1 3 328.438 -0.177 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001484905430 1126652146 /nfs/dbraw/zinc/65/21/46/1126652146.db2.gz NVFRBMUDZDBQDL-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001484905430 1126652148 /nfs/dbraw/zinc/65/21/48/1126652148.db2.gz NVFRBMUDZDBQDL-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001484964433 1126657335 /nfs/dbraw/zinc/65/73/35/1126657335.db2.gz IKJWQSAPGWXRPJ-UHFFFAOYSA-N 1 3 340.468 -0.452 20 0 EBADHO CN(CC(=O)NC1CC(C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001485094352 1126674306 /nfs/dbraw/zinc/67/43/06/1126674306.db2.gz RDMQLAZNIQNTDM-UHFFFAOYSA-N 1 3 331.482 0.000 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647261 1126789655 /nfs/dbraw/zinc/78/96/55/1126789655.db2.gz AEMGMUAFYYIVNX-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCCNS(C)(=O)=O ZINC001485895572 1126910927 /nfs/dbraw/zinc/91/09/27/1126910927.db2.gz MVEMWEMZXOYWDD-ZDUSSCGKSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032797 1127002622 /nfs/dbraw/zinc/00/26/22/1127002622.db2.gz DEUSZSWPNDYTHY-KBPBESRZSA-N 1 3 326.441 -0.983 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001486092228 1127031695 /nfs/dbraw/zinc/03/16/95/1127031695.db2.gz MTBHURYIGDSNFM-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486309904 1127114110 /nfs/dbraw/zinc/11/41/10/1127114110.db2.gz MWXNKPVLXRXWFL-KBPBESRZSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486309904 1127114113 /nfs/dbraw/zinc/11/41/13/1127114113.db2.gz MWXNKPVLXRXWFL-KBPBESRZSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486309905 1127114456 /nfs/dbraw/zinc/11/44/56/1127114456.db2.gz MWXNKPVLXRXWFL-KGLIPLIRSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486309905 1127114457 /nfs/dbraw/zinc/11/44/57/1127114457.db2.gz MWXNKPVLXRXWFL-KGLIPLIRSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319184 1127120674 /nfs/dbraw/zinc/12/06/74/1127120674.db2.gz XKQLZVCAJYKFLW-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319185 1127120989 /nfs/dbraw/zinc/12/09/89/1127120989.db2.gz XKQLZVCAJYKFLW-HUUCEWRRSA-N 1 3 340.468 -0.450 20 0 EBADHO CCN(CC)C(=O)CNC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486312020 1127124891 /nfs/dbraw/zinc/12/48/91/1127124891.db2.gz SHAKLZVIEJPPAQ-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)C1CC[NH+](CC(N)=O)CC1 ZINC001486450483 1127176905 /nfs/dbraw/zinc/17/69/05/1127176905.db2.gz KIVTUWPDAIUARD-KGLIPLIRSA-N 1 3 340.468 -0.343 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001487050940 1127398042 /nfs/dbraw/zinc/39/80/42/1127398042.db2.gz SWBMOMXWDHHJRK-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001410077539 1127543704 /nfs/dbraw/zinc/54/37/04/1127543704.db2.gz PTNXGFAGFMUDAX-APIJFGDWSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001410077539 1127543710 /nfs/dbraw/zinc/54/37/10/1127543710.db2.gz PTNXGFAGFMUDAX-APIJFGDWSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001410125237 1127590468 /nfs/dbraw/zinc/59/04/68/1127590468.db2.gz IMMVMUUTZIDWOE-STQMWFEESA-N 1 3 326.441 -0.984 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001410125237 1127590471 /nfs/dbraw/zinc/59/04/71/1127590471.db2.gz IMMVMUUTZIDWOE-STQMWFEESA-N 1 3 326.441 -0.984 20 0 EBADHO C[C@H](NCC(=O)N1CCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164682 1127623305 /nfs/dbraw/zinc/62/33/05/1127623305.db2.gz PFWWILPQXVBVKO-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO CN(CC(=O)NC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001410264428 1127663010 /nfs/dbraw/zinc/66/30/10/1127663010.db2.gz XHWSLXVLDOIDBO-LLVKDONJSA-N 1 3 325.413 -0.944 20 0 EBADHO CN(CC(=O)NC(N)=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001410264428 1127663014 /nfs/dbraw/zinc/66/30/14/1127663014.db2.gz XHWSLXVLDOIDBO-LLVKDONJSA-N 1 3 325.413 -0.944 20 0 EBADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001410430327 1127712486 /nfs/dbraw/zinc/71/24/86/1127712486.db2.gz XQLGISKLRHNODS-UKRRQHHQSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512631 1127731736 /nfs/dbraw/zinc/73/17/36/1127731736.db2.gz OCLKPQCFNDBEDN-OCCSQVGLSA-N 1 3 341.456 -0.262 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN(C)C1CCC1 ZINC001410827283 1127908935 /nfs/dbraw/zinc/90/89/35/1127908935.db2.gz YQQNSXXJMJIRNO-ZYHUDNBSSA-N 1 3 325.413 -0.755 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001411055204 1127990483 /nfs/dbraw/zinc/99/04/83/1127990483.db2.gz DKMJLYHUEMKRNO-KGLIPLIRSA-N 1 3 328.457 -0.644 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001411055204 1127990486 /nfs/dbraw/zinc/99/04/86/1127990486.db2.gz DKMJLYHUEMKRNO-KGLIPLIRSA-N 1 3 328.457 -0.644 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001411072295 1128001625 /nfs/dbraw/zinc/00/16/25/1128001625.db2.gz VBKXCHHUGUMJGR-BPLDGKMQSA-N 1 3 340.468 -0.644 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001411072295 1128001627 /nfs/dbraw/zinc/00/16/27/1128001627.db2.gz VBKXCHHUGUMJGR-BPLDGKMQSA-N 1 3 340.468 -0.644 20 0 EBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001411095506 1128013751 /nfs/dbraw/zinc/01/37/51/1128013751.db2.gz LADQFTHRUPVQJE-IAQYHMDHSA-N 1 3 332.420 -0.907 20 0 EBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001411095506 1128013754 /nfs/dbraw/zinc/01/37/54/1128013754.db2.gz LADQFTHRUPVQJE-IAQYHMDHSA-N 1 3 332.420 -0.907 20 0 EBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001411098322 1128014895 /nfs/dbraw/zinc/01/48/95/1128014895.db2.gz SLPYUNMMPVWABX-FPMFFAJLSA-N 1 3 338.456 -0.248 20 0 EBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001411098322 1128014900 /nfs/dbraw/zinc/01/49/00/1128014900.db2.gz SLPYUNMMPVWABX-FPMFFAJLSA-N 1 3 338.456 -0.248 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCn2cncn2)CCC1 ZINC001411165505 1128058699 /nfs/dbraw/zinc/05/86/99/1128058699.db2.gz DQKVPOVUDZGDFQ-AWEZNQCLSA-N 1 3 338.456 -0.487 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCn2cncn2)CCC1 ZINC001411165505 1128058701 /nfs/dbraw/zinc/05/87/01/1128058701.db2.gz DQKVPOVUDZGDFQ-AWEZNQCLSA-N 1 3 338.456 -0.487 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220084 1128095330 /nfs/dbraw/zinc/09/53/30/1128095330.db2.gz DRMWSXSQAHXQBI-GHMZBOCLSA-N 1 3 327.429 -0.747 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220084 1128095333 /nfs/dbraw/zinc/09/53/33/1128095333.db2.gz DRMWSXSQAHXQBI-GHMZBOCLSA-N 1 3 327.429 -0.747 20 0 EBADHO C[NH2+]CCN(CCNC(=O)C1(N(C)C)CC1)C(=O)C1(N(C)C)CC1 ZINC001649143762 1128135473 /nfs/dbraw/zinc/13/54/73/1128135473.db2.gz WBASHXHCJCMGGA-UHFFFAOYSA-N 1 3 339.484 -0.661 20 0 EBADHO CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1=O ZINC001092049655 1128179686 /nfs/dbraw/zinc/17/96/86/1128179686.db2.gz FHXZLZDDDWELQD-MRRJBJDNSA-N 1 3 331.420 -0.037 20 0 EBADHO CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1=O ZINC001092049655 1128179687 /nfs/dbraw/zinc/17/96/87/1128179687.db2.gz FHXZLZDDDWELQD-MRRJBJDNSA-N 1 3 331.420 -0.037 20 0 EBADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133723 1128296427 /nfs/dbraw/zinc/29/64/27/1128296427.db2.gz LVOUOEFRYXPGCO-MCIONIFRSA-N 1 3 348.447 -0.429 20 0 EBADHO CN(CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)S(C)(=O)=O ZINC001187842010 1128355993 /nfs/dbraw/zinc/35/59/93/1128355993.db2.gz IMZOOZDHCHGJBU-CYBMUJFWSA-N 1 3 332.470 -0.836 20 0 EBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC[C@@H]1CCCO1 ZINC001187835002 1128356007 /nfs/dbraw/zinc/35/60/07/1128356007.db2.gz MSAKXNHMEFZXLC-CABCVRRESA-N 1 3 338.452 -0.432 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187841410 1128356026 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327.469 -0.004 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](CCO)CCCO)C2)C1 ZINC001489171605 1128916543 /nfs/dbraw/zinc/91/65/43/1128916543.db2.gz ZMRGKFCLRDQHRI-HOTGVXAUSA-N 1 3 327.469 -0.004 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001489359505 1128978144 /nfs/dbraw/zinc/97/81/44/1128978144.db2.gz KJGVDVYZGHVTKY-ZIAGYGMSSA-N 1 3 328.457 -0.644 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001489359505 1128978146 /nfs/dbraw/zinc/97/81/46/1128978146.db2.gz KJGVDVYZGHVTKY-ZIAGYGMSSA-N 1 3 328.457 -0.644 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1)N(C)C ZINC001414059548 1131367392 /nfs/dbraw/zinc/36/73/92/1131367392.db2.gz HFEMIOFYSJVJAZ-RDBSUJKOSA-N 1 3 328.457 -0.644 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1)N(C)C ZINC001414059548 1131367401 /nfs/dbraw/zinc/36/74/01/1131367401.db2.gz HFEMIOFYSJVJAZ-RDBSUJKOSA-N 1 3 328.457 -0.644 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001491073860 1130315066 /nfs/dbraw/zinc/31/50/66/1130315066.db2.gz WPBBWILNQCXNKC-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491479270 1130463103 /nfs/dbraw/zinc/46/31/03/1130463103.db2.gz BFKWYQZIVDGASZ-CYBMUJFWSA-N 1 3 340.468 -0.140 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)CCC1 ZINC001413976893 1131184263 /nfs/dbraw/zinc/18/42/63/1131184263.db2.gz VSTMEBNMJJPFBA-ZIAGYGMSSA-N 1 3 340.468 -0.500 20 0 EBADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926597 1132890462 /nfs/dbraw/zinc/89/04/62/1132890462.db2.gz JZTYUWVHZDGBSA-CHWSQXEVSA-N 1 3 341.456 -0.119 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)N(C)C ZINC001366097062 1133002115 /nfs/dbraw/zinc/00/21/15/1133002115.db2.gz ZTFLWZBFVNEHJO-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)n(C)n1 ZINC001366111432 1133011509 /nfs/dbraw/zinc/01/15/09/1133011509.db2.gz QREVAHNFEGVJLL-IHRRRGAJSA-N 1 3 348.451 -0.002 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001366174279 1133039095 /nfs/dbraw/zinc/03/90/95/1133039095.db2.gz UGIWJWXXKRNHHE-QLFBSQMISA-N 1 3 340.468 -0.141 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366192801 1133049618 /nfs/dbraw/zinc/04/96/18/1133049618.db2.gz PRVUACZAVQPFFT-JSGCOSHPSA-N 1 3 341.456 -0.404 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366218629 1133061162 /nfs/dbraw/zinc/06/11/62/1133061162.db2.gz NDCVIMLBLLQWCL-VXGBXAGGSA-N 1 3 325.413 -0.754 20 0 EBADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221738 1133062662 /nfs/dbraw/zinc/06/26/62/1133062662.db2.gz ZKSUUWMPBYPFGT-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O ZINC001366223324 1133063492 /nfs/dbraw/zinc/06/34/92/1133063492.db2.gz XOBJQOAIVQDTOT-ZDUSSCGKSA-N 1 3 341.456 -0.116 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O ZINC001366223324 1133063496 /nfs/dbraw/zinc/06/34/96/1133063496.db2.gz XOBJQOAIVQDTOT-ZDUSSCGKSA-N 1 3 341.456 -0.116 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001366333466 1133102107 /nfs/dbraw/zinc/10/21/07/1133102107.db2.gz UAXRDAFKDAQHMF-LBPRGKRZSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001366346479 1133106909 /nfs/dbraw/zinc/10/69/09/1133106909.db2.gz MUSJLXZACWGVHC-KGLIPLIRSA-N 1 3 348.513 -0.298 20 0 EBADHO CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001366370852 1133115867 /nfs/dbraw/zinc/11/58/67/1133115867.db2.gz YDQWKPQZSAPUKE-OCCSQVGLSA-N 1 3 341.456 -0.343 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001366385078 1133123080 /nfs/dbraw/zinc/12/30/80/1133123080.db2.gz KQJVUDVJMXHHBU-JSGCOSHPSA-N 1 3 335.408 -0.874 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366387879 1133125255 /nfs/dbraw/zinc/12/52/55/1133125255.db2.gz KOEINUGNNMQADT-JSGCOSHPSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482467 1133156067 /nfs/dbraw/zinc/15/60/67/1133156067.db2.gz FYYASTAYMAQZEZ-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001366705070 1133264908 /nfs/dbraw/zinc/26/49/08/1133264908.db2.gz KLCJGWNXTJVLJR-CQSZACIVSA-N 1 3 325.457 -0.209 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366705070 1133264914 /nfs/dbraw/zinc/26/49/14/1133264914.db2.gz KLCJGWNXTJVLJR-CQSZACIVSA-N 1 3 325.457 -0.209 20 0 EBADHO CNC(=O)CN1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366844555 1133315054 /nfs/dbraw/zinc/31/50/54/1133315054.db2.gz KZOFGUWOPUERQV-AWEZNQCLSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCC1)N(C)C ZINC001367322016 1133550586 /nfs/dbraw/zinc/55/05/86/1133550586.db2.gz IGUYMTFENWQIPG-LLVKDONJSA-N 1 3 327.429 -0.460 20 0 EBADHO C[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001367375405 1133568737 /nfs/dbraw/zinc/56/87/37/1133568737.db2.gz JGBZPMLMRRPBAE-NWDGAFQWSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367385966 1133573204 /nfs/dbraw/zinc/57/32/04/1133573204.db2.gz OOYRBMRILRDHNQ-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390339 1133574601 /nfs/dbraw/zinc/57/46/01/1133574601.db2.gz KAYUWNMHYULQTO-OLZOCXBDSA-N 1 3 338.456 -0.371 20 0 EBADHO C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001367397411 1133577707 /nfs/dbraw/zinc/57/77/07/1133577707.db2.gz PELODQTVGPICTN-CHWSQXEVSA-N 1 3 341.456 -0.262 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001367424970 1133586325 /nfs/dbraw/zinc/58/63/25/1133586325.db2.gz AXYAEQBQKSXYFA-PWSUYJOCSA-N 1 3 336.396 -0.766 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613536 1133693361 /nfs/dbraw/zinc/69/33/61/1133693361.db2.gz CMVCJALXHIISDX-STQMWFEESA-N 1 3 328.457 -0.690 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614440 1133695048 /nfs/dbraw/zinc/69/50/48/1133695048.db2.gz AJMKPJWXLBRBNH-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)C1 ZINC001367614440 1133695052 /nfs/dbraw/zinc/69/50/52/1133695052.db2.gz AJMKPJWXLBRBNH-GJZGRUSLSA-N 1 3 340.468 -0.593 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367673653 1133740598 /nfs/dbraw/zinc/74/05/98/1133740598.db2.gz VZVUSBQZILCEOL-VXGBXAGGSA-N 1 3 327.429 -0.591 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367673653 1133740603 /nfs/dbraw/zinc/74/06/03/1133740603.db2.gz VZVUSBQZILCEOL-VXGBXAGGSA-N 1 3 327.429 -0.591 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367692590 1133749299 /nfs/dbraw/zinc/74/92/99/1133749299.db2.gz KTLSPCVUGLYHRL-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906064 1133833888 /nfs/dbraw/zinc/83/38/88/1133833888.db2.gz ABOOLWUWXFQRMH-ZWNOBZJWSA-N 1 3 339.440 -0.604 20 0 EBADHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141914 1133955561 /nfs/dbraw/zinc/95/55/61/1133955561.db2.gz YQYOEZHWEUDNDM-YPMHNXCESA-N 1 3 341.456 -0.214 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509624 1134262255 /nfs/dbraw/zinc/26/22/55/1134262255.db2.gz LLZHWZZKHDNEGB-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001368509688 1134262301 /nfs/dbraw/zinc/26/23/01/1134262301.db2.gz MGLDJGVKDMTMIS-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001368509688 1134262303 /nfs/dbraw/zinc/26/23/03/1134262303.db2.gz MGLDJGVKDMTMIS-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](OCC)C1 ZINC001368657183 1134358978 /nfs/dbraw/zinc/35/89/78/1134358978.db2.gz JOFDSZYTQXYBAM-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001368684069 1134382761 /nfs/dbraw/zinc/38/27/61/1134382761.db2.gz RZNAGEKNDDILOC-QWHCGFSZSA-N 1 3 328.457 -0.611 20 0 EBADHO C[C@@H](NCC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001368693119 1134394523 /nfs/dbraw/zinc/39/45/23/1134394523.db2.gz ZTUOFQAUHJWIPP-CQSZACIVSA-N 1 3 340.468 -0.321 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894814 1134478366 /nfs/dbraw/zinc/47/83/66/1134478366.db2.gz NOLLHQRQGZVCRR-KGLIPLIRSA-N 1 3 348.513 -0.155 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894819 1134478380 /nfs/dbraw/zinc/47/83/80/1134478380.db2.gz NOLLHQRQGZVCRR-ZIAGYGMSSA-N 1 3 348.513 -0.155 20 0 EBADHO CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147845 1134592540 /nfs/dbraw/zinc/59/25/40/1134592540.db2.gz CIIOOUGNWJQZHN-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155567 1134596726 /nfs/dbraw/zinc/59/67/26/1134596726.db2.gz JUVUBNIGPXDPNB-GJZGRUSLSA-N 1 3 340.468 -0.236 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNCC(=O)Nc2nncs2)C1 ZINC001369176642 1134607500 /nfs/dbraw/zinc/60/75/00/1134607500.db2.gz PHJHNRKRNCTNAL-XYPYZODXSA-N 1 3 340.453 -0.087 20 0 EBADHO CCN(CC)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001369347385 1134696627 /nfs/dbraw/zinc/69/66/27/1134696627.db2.gz JXNMLWYKIHIWSL-KBPBESRZSA-N 1 3 328.457 -0.594 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001369376859 1134735266 /nfs/dbraw/zinc/73/52/66/1134735266.db2.gz XQEHXEWMIMADFS-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001369475779 1134835623 /nfs/dbraw/zinc/83/56/23/1134835623.db2.gz SPPUESOSIKVOTE-QWHCGFSZSA-N 1 3 328.457 -0.644 20 0 EBADHO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001369484419 1134853218 /nfs/dbraw/zinc/85/32/18/1134853218.db2.gz QBWJMMWXKGZGFY-XJKSGUPXSA-N 1 3 337.468 -0.021 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001369486937 1134857741 /nfs/dbraw/zinc/85/77/41/1134857741.db2.gz WZKNQFRYSUMIFN-ZIAGYGMSSA-N 1 3 328.457 -0.642 20 0 EBADHO C[C@@H](NC[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490455 1134863985 /nfs/dbraw/zinc/86/39/85/1134863985.db2.gz PLCWOLFHOUMVRH-CABCVRRESA-N 1 3 342.484 -0.252 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001370495845 1135376781 /nfs/dbraw/zinc/37/67/81/1135376781.db2.gz ZVBQJPNJGWDYCJ-ZDEQEGDKSA-N 1 3 341.456 -0.202 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)N(C)C ZINC001370648454 1135450863 /nfs/dbraw/zinc/45/08/63/1135450863.db2.gz JQHPYDNCLABEJX-HZSPNIEDSA-N 1 3 346.497 -0.401 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370705149 1135524003 /nfs/dbraw/zinc/52/40/03/1135524003.db2.gz CIBSLCMXFZSOKH-HUUCEWRRSA-N 1 3 340.468 -0.737 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001370709835 1135530750 /nfs/dbraw/zinc/53/07/50/1135530750.db2.gz FFSDEYKVVOIWBS-GASCZTMLSA-N 1 3 340.468 -0.140 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001370811870 1135653246 /nfs/dbraw/zinc/65/32/46/1135653246.db2.gz YZIVYZJMZXHBHH-NWDGAFQWSA-N 1 3 325.413 -0.896 20 0 EBADHO CCN(CC)CC(=O)N(C)C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371006079 1135762970 /nfs/dbraw/zinc/76/29/70/1135762970.db2.gz FJYCTVGWFMOFER-OAHLLOKOSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCOCC1 ZINC001371181004 1135857538 /nfs/dbraw/zinc/85/75/38/1135857538.db2.gz VGXFBBMZBMRYEP-ZFWWWQNUSA-N 1 3 338.452 -0.719 20 0 EBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001371418949 1135907012 /nfs/dbraw/zinc/90/70/12/1135907012.db2.gz AAAHISXTEXVPPV-NEPJUHHUSA-N 1 3 339.440 -0.589 20 0 EBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(=O)NC1CC1 ZINC001371418949 1135907014 /nfs/dbraw/zinc/90/70/14/1135907014.db2.gz AAAHISXTEXVPPV-NEPJUHHUSA-N 1 3 339.440 -0.589 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001371463721 1135924444 /nfs/dbraw/zinc/92/44/44/1135924444.db2.gz ZWPFSQCSPUDQNG-RBSFLKMASA-N 1 3 342.484 -0.254 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001371463721 1135924447 /nfs/dbraw/zinc/92/44/47/1135924447.db2.gz ZWPFSQCSPUDQNG-RBSFLKMASA-N 1 3 342.484 -0.254 20 0 EBADHO CN(CC(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C1CCC1 ZINC001371510775 1135940933 /nfs/dbraw/zinc/94/09/33/1135940933.db2.gz SCKZEUCNVIROKL-HOCLYGCPSA-N 1 3 335.452 -0.081 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001371540837 1135962964 /nfs/dbraw/zinc/96/29/64/1135962964.db2.gz DDMAQZRUWXRSGK-IJEWVQPXSA-N 1 3 342.484 -0.398 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001371540837 1135962967 /nfs/dbraw/zinc/96/29/67/1135962967.db2.gz DDMAQZRUWXRSGK-IJEWVQPXSA-N 1 3 342.484 -0.398 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371616653 1135985919 /nfs/dbraw/zinc/98/59/19/1135985919.db2.gz NKPNOGRYTDBTIM-CYBMUJFWSA-N 1 3 339.440 -0.649 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001371773023 1136017915 /nfs/dbraw/zinc/01/79/15/1136017915.db2.gz VNZLJVVJZPUICV-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001373963692 1136594484 /nfs/dbraw/zinc/59/44/84/1136594484.db2.gz LILQPMZEBNEBSO-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001374247733 1136657575 /nfs/dbraw/zinc/65/75/75/1136657575.db2.gz UGQHNDSFJBFBMU-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001374250630 1136658166 /nfs/dbraw/zinc/65/81/66/1136658166.db2.gz RFZNYROBLNZQPD-QWHCGFSZSA-N 1 3 341.456 -0.262 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001374250630 1136658167 /nfs/dbraw/zinc/65/81/67/1136658167.db2.gz RFZNYROBLNZQPD-QWHCGFSZSA-N 1 3 341.456 -0.262 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374383311 1136680989 /nfs/dbraw/zinc/68/09/89/1136680989.db2.gz JMUMPARYAFDRCN-NWDGAFQWSA-N 1 3 327.429 -0.650 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC001374613869 1136747056 /nfs/dbraw/zinc/74/70/56/1136747056.db2.gz FOEFUZBTPMIVDM-HNNXBMFYSA-N 1 3 348.447 -0.164 20 0 EBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374671952 1136791024 /nfs/dbraw/zinc/79/10/24/1136791024.db2.gz REOYNGHIFPDMRH-ZIAGYGMSSA-N 1 3 338.456 -0.485 20 0 EBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374671952 1136791025 /nfs/dbraw/zinc/79/10/25/1136791025.db2.gz REOYNGHIFPDMRH-ZIAGYGMSSA-N 1 3 338.456 -0.485 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001374685619 1136800822 /nfs/dbraw/zinc/80/08/22/1136800822.db2.gz PNVMIZKUSPLNFD-OAHLLOKOSA-N 1 3 342.484 -0.348 20 0 EBADHO CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001374724240 1136814554 /nfs/dbraw/zinc/81/45/54/1136814554.db2.gz WQXGVODIPNVQBG-GFCCVEGCSA-N 1 3 341.456 -0.118 20 0 EBADHO CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)CN1CCC(C)CC1 ZINC001374726111 1136814994 /nfs/dbraw/zinc/81/49/94/1136814994.db2.gz SLNJNNNLNYBGPI-CYBMUJFWSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1cc(=O)n(C)c(=O)n1C ZINC001374827013 1136843816 /nfs/dbraw/zinc/84/38/16/1136843816.db2.gz FNEFVWJOYVOAEL-GFCCVEGCSA-N 1 3 339.440 -0.980 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1cc(=O)n(C)c(=O)n1C ZINC001374827013 1136843819 /nfs/dbraw/zinc/84/38/19/1136843819.db2.gz FNEFVWJOYVOAEL-GFCCVEGCSA-N 1 3 339.440 -0.980 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1)[NH+](C)C ZINC001374931958 1136878742 /nfs/dbraw/zinc/87/87/42/1136878742.db2.gz RGHVMKMWMICSOV-DZGCQCFKSA-N 1 3 328.457 -0.474 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCO1 ZINC000643552804 375898323 /nfs/dbraw/zinc/89/83/23/375898323.db2.gz KDWQROLSYYAVSX-STQMWFEESA-N 1 3 326.441 -0.496 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643594607 375922823 /nfs/dbraw/zinc/92/28/23/375922823.db2.gz XNUJZIKCVRBOKS-HUUCEWRRSA-N 1 3 337.468 -0.955 20 0 EBADHO O[C@@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719237 376188333 /nfs/dbraw/zinc/18/83/33/376188333.db2.gz QIGJXFPXENHPOF-RBUKOAKNSA-N 1 3 349.475 -0.094 20 0 EBADHO O[C@@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000634719237 376188340 /nfs/dbraw/zinc/18/83/40/376188340.db2.gz QIGJXFPXENHPOF-RBUKOAKNSA-N 1 3 349.475 -0.094 20 0 EBADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000557246462 376167701 /nfs/dbraw/zinc/16/77/01/376167701.db2.gz KAOXBJLIGSYDQL-CQSZACIVSA-N 1 3 325.457 -0.922 20 0 EBADHO C[NH+](C)CCNC(=O)c1cccc(CNCCC(=O)NC(N)=O)c1 ZINC000564847508 376181849 /nfs/dbraw/zinc/18/18/49/376181849.db2.gz CXALQVGDPKRTMK-UHFFFAOYSA-N 1 3 335.408 -0.347 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000625465235 376232830 /nfs/dbraw/zinc/23/28/30/376232830.db2.gz LJVNTCTXLKYWPG-HNNXBMFYSA-N 1 3 342.484 -0.129 20 0 EBADHO COCCN(C)C[C@@H](O)C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000559638050 376598787 /nfs/dbraw/zinc/59/87/87/376598787.db2.gz QORKUCFSQUNUMG-QGZVFWFLSA-N 1 3 329.485 -0.030 20 0 EBADHO COCCNCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564724708 376897343 /nfs/dbraw/zinc/89/73/43/376897343.db2.gz AXOWAJYABXWJLQ-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000561576060 376855103 /nfs/dbraw/zinc/85/51/03/376855103.db2.gz YIRWYGHQDMGRNB-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[NH+](C)C1CCN(CCNC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636987977 378454252 /nfs/dbraw/zinc/45/42/52/378454252.db2.gz RNKUHXOBMLWCEV-OAHLLOKOSA-N 1 3 327.473 -0.622 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(N(C)C)n[nH]1 ZINC000637262774 378553288 /nfs/dbraw/zinc/55/32/88/378553288.db2.gz CQRRGIDUZDOMQE-LBPRGKRZSA-N 1 3 340.476 -0.058 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(N(C)C)n[nH]1 ZINC000637262774 378553292 /nfs/dbraw/zinc/55/32/92/378553292.db2.gz CQRRGIDUZDOMQE-LBPRGKRZSA-N 1 3 340.476 -0.058 20 0 EBADHO CNS(=O)(=O)CCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000338149960 378740363 /nfs/dbraw/zinc/74/03/63/378740363.db2.gz NLCBFBVHVGWMIV-UONOGXRCSA-N 1 3 346.497 -0.494 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1(C)C ZINC000339634169 378961009 /nfs/dbraw/zinc/96/10/09/378961009.db2.gz NGWZPMIRYIASEO-UHFFFAOYSA-N 1 3 339.484 -0.661 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000629793805 379138483 /nfs/dbraw/zinc/13/84/83/379138483.db2.gz ISBGHRFPTYAHPB-UHFFFAOYSA-N 1 3 340.468 -0.103 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000629792499 379138826 /nfs/dbraw/zinc/13/88/26/379138826.db2.gz QPQJUVRJMPRTPF-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627401803 379147503 /nfs/dbraw/zinc/14/75/03/379147503.db2.gz JCNGLNQELIXVEC-CQSZACIVSA-N 1 3 338.452 -0.432 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458441490 379222612 /nfs/dbraw/zinc/22/26/12/379222612.db2.gz SCEASWGBLBEYQC-CABCVRRESA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000458441490 379222623 /nfs/dbraw/zinc/22/26/23/379222623.db2.gz SCEASWGBLBEYQC-CABCVRRESA-N 1 3 328.457 -0.147 20 0 EBADHO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN(C)C2CCC2)CC1=O ZINC000629994285 379333982 /nfs/dbraw/zinc/33/39/82/379333982.db2.gz VWWOPDSVXNWVJU-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CN(C)C2CCC2)CC1=O ZINC000629994285 379333987 /nfs/dbraw/zinc/33/39/87/379333987.db2.gz VWWOPDSVXNWVJU-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000627332334 379341769 /nfs/dbraw/zinc/34/17/69/379341769.db2.gz XDOHXUYESMVBPJ-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312324 379302940 /nfs/dbraw/zinc/30/29/40/379302940.db2.gz WICZWNNGFDQPFB-RBSFLKMASA-N 1 3 342.484 -0.049 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000627312108 379304005 /nfs/dbraw/zinc/30/40/05/379304005.db2.gz PQTSSGMEONMTCG-CABCVRRESA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312401 379304547 /nfs/dbraw/zinc/30/45/47/379304547.db2.gz XTWLBUOFNRNVJL-ZNMIVQPWSA-N 1 3 342.484 -0.097 20 0 EBADHO C[C@@H](O)CN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000478869634 379436530 /nfs/dbraw/zinc/43/65/30/379436530.db2.gz HDNRSYOMDUSFSJ-OAHLLOKOSA-N 1 3 341.500 -0.280 20 0 EBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000627398447 379581462 /nfs/dbraw/zinc/58/14/62/379581462.db2.gz MXPNLHHVSJEZAS-AWEZNQCLSA-N 1 3 327.473 -0.817 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627357215 379563938 /nfs/dbraw/zinc/56/39/38/379563938.db2.gz ADKCNKYNGVNPBP-ZDUSSCGKSA-N 1 3 326.441 -0.399 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCCOCCC[NH3+])CCSC1 ZINC000627370469 379568007 /nfs/dbraw/zinc/56/80/07/379568007.db2.gz ANHANOAAZIIMRG-AWEZNQCLSA-N 1 3 332.470 -0.979 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627384778 379576808 /nfs/dbraw/zinc/57/68/08/379576808.db2.gz ODTLNSVSNPWHQR-CALCHBBNSA-N 1 3 340.468 -0.471 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126646 379810646 /nfs/dbraw/zinc/81/06/46/379810646.db2.gz HWXOVYWBZMPOIS-CYBMUJFWSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCC[C@H](C)C1 ZINC000627485147 379902447 /nfs/dbraw/zinc/90/24/47/379902447.db2.gz SZVQBRCEDNPCAV-KBPBESRZSA-N 1 3 328.457 -0.295 20 0 EBADHO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN2CC[C@H](C)C2)CC1=O ZINC000633106201 379940787 /nfs/dbraw/zinc/94/07/87/379940787.db2.gz LONQZPSLQPBXTG-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN2CC[C@H](C)C2)CC1=O ZINC000633106201 379940792 /nfs/dbraw/zinc/94/07/92/379940792.db2.gz LONQZPSLQPBXTG-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633138901 379947571 /nfs/dbraw/zinc/94/75/71/379947571.db2.gz FIUDTSDUIKVRFR-QWHCGFSZSA-N 1 3 347.419 -0.313 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000633139010 379947724 /nfs/dbraw/zinc/94/77/24/379947724.db2.gz GBAKPQAWEPHYSZ-ILXRZTDVSA-N 1 3 337.468 -0.827 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccccn1 ZINC000555562149 380363499 /nfs/dbraw/zinc/36/34/99/380363499.db2.gz SMPPMTBISLDWMR-UHFFFAOYSA-N 1 3 335.452 -0.308 20 0 EBADHO CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000565044465 380397126 /nfs/dbraw/zinc/39/71/26/380397126.db2.gz POBYBAPFNOIZPW-GDBMZVCRSA-N 1 3 349.483 -0.074 20 0 EBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153226418 380424049 /nfs/dbraw/zinc/42/40/49/380424049.db2.gz AFJWIHBPIQHHFP-CYBMUJFWSA-N 1 3 336.440 -0.016 20 0 EBADHO CCN1CCN(CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000567894921 380556312 /nfs/dbraw/zinc/55/63/12/380556312.db2.gz FZMABJOPUYKSTA-OAHLLOKOSA-N 1 3 349.483 -0.213 20 0 EBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)CN2CCCCC2)CC1=O ZINC000340822964 380638975 /nfs/dbraw/zinc/63/89/75/380638975.db2.gz MVBDPDIUUKSJEH-GJZGRUSLSA-N 1 3 340.468 -0.641 20 0 EBADHO C[N@H+](C[C@H](O)CNCC1(N2CCOCC2)CCOCC1)C1CC1 ZINC000582296427 380628512 /nfs/dbraw/zinc/62/85/12/380628512.db2.gz IRKJAOFJQZGCAV-MRXNPFEDSA-N 1 3 327.469 -0.088 20 0 EBADHO C[N@@H+](C[C@H](O)CNCC1(N2CCOCC2)CCOCC1)C1CC1 ZINC000582296427 380628519 /nfs/dbraw/zinc/62/85/19/380628519.db2.gz IRKJAOFJQZGCAV-MRXNPFEDSA-N 1 3 327.469 -0.088 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H](CN)C1 ZINC000569093268 380629362 /nfs/dbraw/zinc/62/93/62/380629362.db2.gz PSRWJQAXPIQGMH-LSDHHAIUSA-N 1 3 337.468 -0.968 20 0 EBADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC1CNC1 ZINC000573786859 380686607 /nfs/dbraw/zinc/68/66/07/380686607.db2.gz QJQYEWSHPWYMRT-UHFFFAOYSA-N 1 3 346.431 -0.135 20 0 EBADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000572951455 380650195 /nfs/dbraw/zinc/65/01/95/380650195.db2.gz VQMVYNPLDNDKCC-CQSZACIVSA-N 1 3 341.500 -0.476 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000576861144 380789201 /nfs/dbraw/zinc/78/92/01/380789201.db2.gz BIZVISBAQBDBJU-CQSZACIVSA-N 1 3 327.473 -0.865 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418289735 380801452 /nfs/dbraw/zinc/80/14/52/380801452.db2.gz PGCOSSRUSLKCHB-MRXNPFEDSA-N 1 3 341.500 -0.326 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000577660325 380835227 /nfs/dbraw/zinc/83/52/27/380835227.db2.gz ZNJFFSKPYZDGTC-LSDHHAIUSA-N 1 3 340.468 -0.378 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000577825151 380845358 /nfs/dbraw/zinc/84/53/58/380845358.db2.gz IZRXMJOZNLHXLR-AWEZNQCLSA-N 1 3 342.484 -0.442 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417432238 380885974 /nfs/dbraw/zinc/88/59/74/380885974.db2.gz SNMPUIVVYILYDJ-KGLIPLIRSA-N 1 3 325.457 -0.020 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000376380722 380908249 /nfs/dbraw/zinc/90/82/49/380908249.db2.gz BWGGLOWOYMXXHA-CYBMUJFWSA-N 1 3 337.472 -0.140 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1(O)CCC1 ZINC000563870306 380983472 /nfs/dbraw/zinc/98/34/72/380983472.db2.gz LLOPUQWZZAVDJS-UHFFFAOYSA-N 1 3 328.457 -0.688 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669385 380946198 /nfs/dbraw/zinc/94/61/98/380946198.db2.gz KJEIKTWTUVKVBD-SOUVJXGZSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CCN2C1=O ZINC000578669385 380946205 /nfs/dbraw/zinc/94/62/05/380946205.db2.gz KJEIKTWTUVKVBD-SOUVJXGZSA-N 1 3 335.452 -0.043 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1(O)CCCC1 ZINC000581176924 381058652 /nfs/dbraw/zinc/05/86/52/381058652.db2.gz CHKQESQILGJUOT-UHFFFAOYSA-N 1 3 342.484 -0.298 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000581355973 381070247 /nfs/dbraw/zinc/07/02/47/381070247.db2.gz NRUNETJNNWTOBS-RRFJBIMHSA-N 1 3 340.468 -0.833 20 0 EBADHO CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000580725368 381033420 /nfs/dbraw/zinc/03/34/20/381033420.db2.gz QKOHCYHYSOWYQC-QWRGUYRKSA-N 1 3 348.455 -0.316 20 0 EBADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC[NH3+] ZINC000418351496 381072833 /nfs/dbraw/zinc/07/28/33/381072833.db2.gz LXYHVPUDEROCOO-HNNXBMFYSA-N 1 3 335.452 -0.077 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418307366 381034545 /nfs/dbraw/zinc/03/45/45/381034545.db2.gz SOVPMSGCOUBGDA-HNNXBMFYSA-N 1 3 327.473 -0.716 20 0 EBADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581602064 381087421 /nfs/dbraw/zinc/08/74/21/381087421.db2.gz VIGZOSZRFLKGDY-CABCVRRESA-N 1 3 339.484 -0.722 20 0 EBADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581602064 381087422 /nfs/dbraw/zinc/08/74/22/381087422.db2.gz VIGZOSZRFLKGDY-CABCVRRESA-N 1 3 339.484 -0.722 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541256 381178872 /nfs/dbraw/zinc/17/88/72/381178872.db2.gz ANYDLDLOBUUUEO-AEGPPILISA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541256 381178884 /nfs/dbraw/zinc/17/88/84/381178884.db2.gz ANYDLDLOBUUUEO-AEGPPILISA-N 1 3 335.452 -0.043 20 0 EBADHO COC[C@@]1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCC[NH2+]1 ZINC000418639134 381253784 /nfs/dbraw/zinc/25/37/84/381253784.db2.gz PIIDEJHAJUDPLB-ZBFHGGJFSA-N 1 3 328.457 -0.099 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418592468 381248413 /nfs/dbraw/zinc/24/84/13/381248413.db2.gz PBKBTMLKLPAUNK-CQSZACIVSA-N 1 3 325.457 -0.066 20 0 EBADHO CN(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849355 381304120 /nfs/dbraw/zinc/30/41/20/381304120.db2.gz MQONPBNPNMPMEQ-IXDOHACOSA-N 1 3 344.459 -0.047 20 0 EBADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418851061 381305687 /nfs/dbraw/zinc/30/56/87/381305687.db2.gz OXHFJKSJVZJCOA-CVEARBPZSA-N 1 3 348.447 -0.620 20 0 EBADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000643478886 381329124 /nfs/dbraw/zinc/32/91/24/381329124.db2.gz MBBDREOKLQICHT-GDBMZVCRSA-N 1 3 343.431 -0.059 20 0 EBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000418881065 381330562 /nfs/dbraw/zinc/33/05/62/381330562.db2.gz WRIIYXXXUPQASB-HNNXBMFYSA-N 1 3 336.436 -0.945 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883882 381331294 /nfs/dbraw/zinc/33/12/94/381331294.db2.gz VTOYAWRYFVWOIT-HUUCEWRRSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N(C)Cc1ccccc1 ZINC000418954445 381349325 /nfs/dbraw/zinc/34/93/25/381349325.db2.gz WKMYUHRGPXYJII-CQSZACIVSA-N 1 3 336.436 -0.597 20 0 EBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419033196 381357774 /nfs/dbraw/zinc/35/77/74/381357774.db2.gz YDUPBFFKSNGUMO-HZSPNIEDSA-N 1 3 328.457 -0.751 20 0 EBADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419289505 381412090 /nfs/dbraw/zinc/41/20/90/381412090.db2.gz TZNCLAINCMIPFZ-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419122526 381382699 /nfs/dbraw/zinc/38/26/99/381382699.db2.gz NPRBKXVAFSGKKP-LSDHHAIUSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419131030 381388298 /nfs/dbraw/zinc/38/82/98/381388298.db2.gz BWWRWODMHJJDQT-ZDUSSCGKSA-N 1 3 336.436 -0.046 20 0 EBADHO [NH3+]CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172748 381393141 /nfs/dbraw/zinc/39/31/41/381393141.db2.gz ZXFFAGHCXYRXNU-OAHLLOKOSA-N 1 3 334.420 -0.531 20 0 EBADHO CN(C)C(=O)NCCN(C)C/C=C/C[N@H+](C)CCNC(=O)N(C)C ZINC000348920052 381421347 /nfs/dbraw/zinc/42/13/47/381421347.db2.gz OFGUKMAGUPJQSE-BQYQJAHWSA-N 1 3 342.488 -0.051 20 0 EBADHO CN(C)C(=O)NCCN(C)C/C=C/C[N@@H+](C)CCNC(=O)N(C)C ZINC000348920052 381421356 /nfs/dbraw/zinc/42/13/56/381421356.db2.gz OFGUKMAGUPJQSE-BQYQJAHWSA-N 1 3 342.488 -0.051 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000419402597 381428632 /nfs/dbraw/zinc/42/86/32/381428632.db2.gz CITBEXFSTMGCGF-AWEZNQCLSA-N 1 3 326.441 -0.589 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419408881 381429248 /nfs/dbraw/zinc/42/92/48/381429248.db2.gz MIDMNMNPVKPPSA-CABCVRRESA-N 1 3 340.468 -0.201 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419383322 381433842 /nfs/dbraw/zinc/43/38/42/381433842.db2.gz ZXQVDRVPIQTCQT-OAHLLOKOSA-N 1 3 330.432 -0.239 20 0 EBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419380836 381434426 /nfs/dbraw/zinc/43/44/26/381434426.db2.gz XSCAULWGNWDEKT-CYBMUJFWSA-N 1 3 332.448 -0.087 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419444650 381439098 /nfs/dbraw/zinc/43/90/98/381439098.db2.gz DFGCMBKQWKERFK-KBPBESRZSA-N 1 3 328.457 -0.295 20 0 EBADHO C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CN1C1CC1 ZINC000419321824 381417683 /nfs/dbraw/zinc/41/76/83/381417683.db2.gz ROYIJRHPTJWWJD-ZJQBRPOHSA-N 1 3 338.452 -0.043 20 0 EBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CN1C1CC1 ZINC000419321821 381417935 /nfs/dbraw/zinc/41/79/35/381417935.db2.gz ROYIJRHPTJWWJD-CIQGVGRVSA-N 1 3 338.452 -0.043 20 0 EBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419688864 381473536 /nfs/dbraw/zinc/47/35/36/381473536.db2.gz BHBLXDAHOIXOCM-CQSZACIVSA-N 1 3 328.457 -0.607 20 0 EBADHO C[C@@H](CCNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCCCC1 ZINC000419719824 381479294 /nfs/dbraw/zinc/47/92/94/381479294.db2.gz XUXMWTJKIQUQMQ-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419678494 381480621 /nfs/dbraw/zinc/48/06/21/381480621.db2.gz OFDFKHXVNFQUKG-UONOGXRCSA-N 1 3 328.457 -0.343 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419679956 381480817 /nfs/dbraw/zinc/48/08/17/381480817.db2.gz QICHPUDBNIPCOJ-ZNMIVQPWSA-N 1 3 340.468 -0.343 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCSC1 ZINC000419593228 381461533 /nfs/dbraw/zinc/46/15/33/381461533.db2.gz XOIGYFLIUGRHAP-HNNXBMFYSA-N 1 3 330.498 -0.017 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419779695 381491406 /nfs/dbraw/zinc/49/14/06/381491406.db2.gz PPCZYLUPABYBQX-IHRRRGAJSA-N 1 3 326.441 -0.733 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800169 381495219 /nfs/dbraw/zinc/49/52/19/381495219.db2.gz HCCMYRVMMVJTAW-UHFFFAOYSA-N 1 3 328.457 -0.199 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092991 381538817 /nfs/dbraw/zinc/53/88/17/381538817.db2.gz PALLSGLHBKJEPD-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000419975860 381523256 /nfs/dbraw/zinc/52/32/56/381523256.db2.gz LGWPLLMYVJRKDX-CYBMUJFWSA-N 1 3 349.435 -0.290 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420078428 381536747 /nfs/dbraw/zinc/53/67/47/381536747.db2.gz ZMTMVRWKLFLQLC-AWEZNQCLSA-N 1 3 328.457 -0.343 20 0 EBADHO COC(=O)CN(C)C(=O)CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420318404 381579247 /nfs/dbraw/zinc/57/92/47/381579247.db2.gz WAHXZKMJEYMCOS-ZDUSSCGKSA-N 1 3 342.440 -0.673 20 0 EBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420190028 381564817 /nfs/dbraw/zinc/56/48/17/381564817.db2.gz FNCXTBCIPJUXHG-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420202054 381569049 /nfs/dbraw/zinc/56/90/49/381569049.db2.gz PBDXXWJRWJYOGL-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420202054 381569055 /nfs/dbraw/zinc/56/90/55/381569055.db2.gz PBDXXWJRWJYOGL-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691382 381593679 /nfs/dbraw/zinc/59/36/79/381593679.db2.gz MGQYXCXXQZBBJP-KGLIPLIRSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691382 381593685 /nfs/dbraw/zinc/59/36/85/381593685.db2.gz MGQYXCXXQZBBJP-KGLIPLIRSA-N 1 3 325.457 -0.033 20 0 EBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)CN2CCN(C)CC2)CC1 ZINC000608764820 381619518 /nfs/dbraw/zinc/61/95/18/381619518.db2.gz KYMMTEZRLVPIEK-INIZCTEOSA-N 1 3 325.501 -0.376 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351527356 381636709 /nfs/dbraw/zinc/63/67/09/381636709.db2.gz ZUOAPUJCXJFLOO-HUUCEWRRSA-N 1 3 339.484 -0.756 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351527355 381637668 /nfs/dbraw/zinc/63/76/68/381637668.db2.gz ZUOAPUJCXJFLOO-GJZGRUSLSA-N 1 3 339.484 -0.756 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351489312 381629514 /nfs/dbraw/zinc/62/95/14/381629514.db2.gz IELOFNUGXHWEKG-MRXNPFEDSA-N 1 3 326.485 -0.073 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351489312 381629528 /nfs/dbraw/zinc/62/95/28/381629528.db2.gz IELOFNUGXHWEKG-MRXNPFEDSA-N 1 3 326.485 -0.073 20 0 EBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000571985858 381631809 /nfs/dbraw/zinc/63/18/09/381631809.db2.gz DPXMBINMFSEZNS-KGLIPLIRSA-N 1 3 325.457 -0.922 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331642097 381718765 /nfs/dbraw/zinc/71/87/65/381718765.db2.gz NGGYJJUXQFFETP-IGQOVBAYSA-N 1 3 338.452 -0.089 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000331642097 381718772 /nfs/dbraw/zinc/71/87/72/381718772.db2.gz NGGYJJUXQFFETP-IGQOVBAYSA-N 1 3 338.452 -0.089 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995918 381883916 /nfs/dbraw/zinc/88/39/16/381883916.db2.gz MYCMHFFWUJNVLD-CYBMUJFWSA-N 1 3 325.457 -0.210 20 0 EBADHO CCNC(=O)N1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000120525500 381860439 /nfs/dbraw/zinc/86/04/39/381860439.db2.gz URKUBEYVLKKHCK-CQSZACIVSA-N 1 3 342.488 -0.075 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000626851188 381902936 /nfs/dbraw/zinc/90/29/36/381902936.db2.gz MVNLPGBEEIYFOU-CYBMUJFWSA-N 1 3 334.424 -0.216 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CCO1 ZINC000643500656 381908370 /nfs/dbraw/zinc/90/83/70/381908370.db2.gz SBJRCLFVOGKOEO-UONOGXRCSA-N 1 3 340.468 -0.106 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCO1 ZINC000643510625 381961405 /nfs/dbraw/zinc/96/14/05/381961405.db2.gz CXFOUYQJWOPTSL-ZNMIVQPWSA-N 1 3 338.452 -0.352 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643511179 381962200 /nfs/dbraw/zinc/96/22/00/381962200.db2.gz KMHHAHSYZFCGOH-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629558993 382223119 /nfs/dbraw/zinc/22/31/19/382223119.db2.gz ORJSRHPCPRZAJX-JKSUJKDBSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(C)C(=O)CCN1CCC([NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629561503 382223204 /nfs/dbraw/zinc/22/32/04/382223204.db2.gz IDSOZRJIVALRDS-INIZCTEOSA-N 1 3 326.485 -0.025 20 0 EBADHO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629561134 382223954 /nfs/dbraw/zinc/22/39/54/382223954.db2.gz QSFFBAHJMROCLN-OAHLLOKOSA-N 1 3 326.441 -0.887 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)CC ZINC000340135393 285276824 /nfs/dbraw/zinc/27/68/24/285276824.db2.gz RLOOFKMJVJGQLB-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)CC ZINC000340135393 285276830 /nfs/dbraw/zinc/27/68/30/285276830.db2.gz RLOOFKMJVJGQLB-AWEZNQCLSA-N 1 3 348.513 -0.200 20 0 EBADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000249105265 154192093 /nfs/dbraw/zinc/19/20/93/154192093.db2.gz PDWPMKRICAYGMR-CAOSSQGBSA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(NC[C@H]1CCCN(CCN2C(=O)CCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261718821 154198510 /nfs/dbraw/zinc/19/85/10/154198510.db2.gz QKWRCWLMWUTFSK-ZIAGYGMSSA-N 1 3 336.436 -0.284 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262459356 154231995 /nfs/dbraw/zinc/23/19/95/154231995.db2.gz VPTZWFLNGGSVFE-IRXDYDNUSA-N 1 3 332.448 -0.227 20 0 EBADHO CCN1CCN([C@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262945609 154251432 /nfs/dbraw/zinc/25/14/32/154251432.db2.gz ASCAVTRQZNZYOP-HIFRSBDPSA-N 1 3 327.473 -0.772 20 0 EBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000343016546 156085849 /nfs/dbraw/zinc/08/58/49/156085849.db2.gz URRFFXXVOSIHFO-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)CC1 ZINC000343683476 156156716 /nfs/dbraw/zinc/15/67/16/156156716.db2.gz WILVHCLZPLHKPW-DLBZAZTESA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343683476 156156720 /nfs/dbraw/zinc/15/67/20/156156720.db2.gz WILVHCLZPLHKPW-DLBZAZTESA-N 1 3 335.496 -0.385 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)CC1 ZINC000343683476 156156725 /nfs/dbraw/zinc/15/67/25/156156725.db2.gz WILVHCLZPLHKPW-DLBZAZTESA-N 1 3 335.496 -0.385 20 0 EBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344610559 156245993 /nfs/dbraw/zinc/24/59/93/156245993.db2.gz ARQKDDKUVXYUBE-UHFFFAOYSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@H](CN(C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)O1 ZINC000346229222 156391984 /nfs/dbraw/zinc/39/19/84/156391984.db2.gz RUIMGVCGOHATGB-SYQHCUMBSA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)O1 ZINC000346229222 156391987 /nfs/dbraw/zinc/39/19/87/156391987.db2.gz RUIMGVCGOHATGB-SYQHCUMBSA-N 1 3 328.457 -0.333 20 0 EBADHO CN(C)[C@@]1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCSC1 ZINC000354684189 156935049 /nfs/dbraw/zinc/93/50/49/156935049.db2.gz XOILUWGLBJXKAE-IUODEOHRSA-N 1 3 328.482 -0.202 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357038500 157114824 /nfs/dbraw/zinc/11/48/24/157114824.db2.gz MXQVYUQHYMUDNG-GOOCMWNKSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000357038500 157114826 /nfs/dbraw/zinc/11/48/26/157114826.db2.gz MXQVYUQHYMUDNG-GOOCMWNKSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000357572135 157155350 /nfs/dbraw/zinc/15/53/50/157155350.db2.gz FYDZYMRBIKUHAF-HNNXBMFYSA-N 1 3 342.484 -0.129 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000357572135 157155354 /nfs/dbraw/zinc/15/53/54/157155354.db2.gz FYDZYMRBIKUHAF-HNNXBMFYSA-N 1 3 342.484 -0.129 20 0 EBADHO CC[NH+]1CCN(CCC(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000359388176 157316951 /nfs/dbraw/zinc/31/69/51/157316951.db2.gz MQMBGNLWWWYIEF-INIZCTEOSA-N 1 3 325.501 -0.234 20 0 EBADHO [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000360570975 157385960 /nfs/dbraw/zinc/38/59/60/157385960.db2.gz BWHKZVOEUSRSMY-HUUCEWRRSA-N 1 3 325.457 -0.314 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCSC1 ZINC000419583467 419017784 /nfs/dbraw/zinc/01/77/84/419017784.db2.gz LDZDOEAHIJTUQI-HUBLWGQQSA-N 1 3 328.482 -0.074 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653116931 418989789 /nfs/dbraw/zinc/98/97/89/418989789.db2.gz YSOCIEXHVQCTID-YOEHRIQHSA-N 1 3 338.452 -0.765 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000665759388 419009705 /nfs/dbraw/zinc/00/97/05/419009705.db2.gz FEFVBMRMDQMYOU-UONOGXRCSA-N 1 3 340.472 -0.323 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000665759388 419009709 /nfs/dbraw/zinc/00/97/09/419009709.db2.gz FEFVBMRMDQMYOU-UONOGXRCSA-N 1 3 340.472 -0.323 20 0 EBADHO C[C@@H](CNC(=O)N1CCN(CCN(C)C)C(=O)C1)[N@H+](C)C1CC1 ZINC000650847169 419082371 /nfs/dbraw/zinc/08/23/71/419082371.db2.gz NWGDTGPXHDXJOM-ZDUSSCGKSA-N 1 3 325.457 -0.116 20 0 EBADHO C[C@@H](CNC(=O)N1CCN(CCN(C)C)C(=O)C1)[N@@H+](C)C1CC1 ZINC000650847169 419082374 /nfs/dbraw/zinc/08/23/74/419082374.db2.gz NWGDTGPXHDXJOM-ZDUSSCGKSA-N 1 3 325.457 -0.116 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651221775 419181640 /nfs/dbraw/zinc/18/16/40/419181640.db2.gz BLNBSXIMOAIMFN-KBPBESRZSA-N 1 3 346.497 -0.447 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651221775 419181642 /nfs/dbraw/zinc/18/16/42/419181642.db2.gz BLNBSXIMOAIMFN-KBPBESRZSA-N 1 3 346.497 -0.447 20 0 EBADHO CCN1CCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000516649635 419244779 /nfs/dbraw/zinc/24/47/79/419244779.db2.gz XSKAGQUTDFCYTE-CQSZACIVSA-N 1 3 335.456 -0.603 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000531857147 419274301 /nfs/dbraw/zinc/27/43/01/419274301.db2.gz YFSQIXAJXTUGFC-QWHCGFSZSA-N 1 3 329.445 -0.846 20 0 EBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2ccncc2)CC1 ZINC000645220925 419300266 /nfs/dbraw/zinc/30/02/66/419300266.db2.gz BPIDRQUVZUXSHK-HNNXBMFYSA-N 1 3 331.420 -0.012 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723885 419319559 /nfs/dbraw/zinc/31/95/59/419319559.db2.gz OJDYVBOUJPLFEJ-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340484132 419360048 /nfs/dbraw/zinc/36/00/48/419360048.db2.gz NAWRGMOMYWIKIW-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340484132 419360053 /nfs/dbraw/zinc/36/00/53/419360053.db2.gz NAWRGMOMYWIKIW-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000342767026 419398858 /nfs/dbraw/zinc/39/88/58/419398858.db2.gz ZUUMBJCZLVDQDO-OLZOCXBDSA-N 1 3 342.440 -0.674 20 0 EBADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000647966631 419403477 /nfs/dbraw/zinc/40/34/77/419403477.db2.gz ATKNHQOSGMXUMX-HZPDHXFCSA-N 1 3 326.485 -0.074 20 0 EBADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000647966631 419403483 /nfs/dbraw/zinc/40/34/83/419403483.db2.gz ATKNHQOSGMXUMX-HZPDHXFCSA-N 1 3 326.485 -0.074 20 0 EBADHO COCCN1CC[C@@H](NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000415953026 419421476 /nfs/dbraw/zinc/42/14/76/419421476.db2.gz MAQBAWFNRDXYTL-CYBMUJFWSA-N 1 3 349.439 -0.272 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H](O)CO)CC2)CC1 ZINC000519421947 419526865 /nfs/dbraw/zinc/52/68/65/419526865.db2.gz GSXGUBSQMRHZOF-INIZCTEOSA-N 1 3 327.469 -0.006 20 0 EBADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C(=O)NCC[NH+](C)C ZINC000520626659 419566882 /nfs/dbraw/zinc/56/68/82/419566882.db2.gz FPDLRUHRNPWAKY-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO CC1(OCC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CNC1 ZINC000648105585 419641889 /nfs/dbraw/zinc/64/18/89/419641889.db2.gz LLGIHRFRHHMMCE-KGLIPLIRSA-N 1 3 338.452 -0.528 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419955249 419828109 /nfs/dbraw/zinc/82/81/09/419828109.db2.gz MWVNONORSUGDIQ-GFCCVEGCSA-N 1 3 335.408 -0.550 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420008633 419828754 /nfs/dbraw/zinc/82/87/54/419828754.db2.gz DKJPBZIZRVHEES-KGLIPLIRSA-N 1 3 328.457 -0.345 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419949028 419829528 /nfs/dbraw/zinc/82/95/28/419829528.db2.gz KSMNYAOTTMYVJJ-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CCN1C1CCN(C)CC1 ZINC000420050528 419836412 /nfs/dbraw/zinc/83/64/12/419836412.db2.gz FIMFQAQWIABQJT-CYBMUJFWSA-N 1 3 339.484 -0.533 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423266835 419929599 /nfs/dbraw/zinc/92/95/99/419929599.db2.gz SIGNFZURHMEHCC-AWEZNQCLSA-N 1 3 328.457 -0.390 20 0 EBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423263531 419930074 /nfs/dbraw/zinc/93/00/74/419930074.db2.gz ORRSDCLQBVUFJA-LSDHHAIUSA-N 1 3 342.484 -0.001 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423214372 419926940 /nfs/dbraw/zinc/92/69/40/419926940.db2.gz OVFAWEKHGRCQON-KBPBESRZSA-N 1 3 326.441 -0.495 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423262415 419926996 /nfs/dbraw/zinc/92/69/96/419926996.db2.gz MLGCPDKGFHQYQK-KBPBESRZSA-N 1 3 328.457 -0.534 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423262227 419927037 /nfs/dbraw/zinc/92/70/37/419927037.db2.gz MBDOEAGDCBLNPS-KBPBESRZSA-N 1 3 328.457 -0.391 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516492536 420512780 /nfs/dbraw/zinc/51/27/80/420512780.db2.gz MROWEUNYAWYLLY-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000665639970 420517314 /nfs/dbraw/zinc/51/73/14/420517314.db2.gz JWDNDCJQZBVLJB-QWHCGFSZSA-N 1 3 329.445 -0.846 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000665639970 420517316 /nfs/dbraw/zinc/51/73/16/420517316.db2.gz JWDNDCJQZBVLJB-QWHCGFSZSA-N 1 3 329.445 -0.846 20 0 EBADHO [NH3+]CCCn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000645929162 420526259 /nfs/dbraw/zinc/52/62/59/420526259.db2.gz XOWWBLXIVTYUAD-UHFFFAOYSA-N 1 3 349.439 -0.993 20 0 EBADHO CN1CCC[C@H](N2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002949 420532403 /nfs/dbraw/zinc/53/24/03/420532403.db2.gz KXTZDQZWRYJFFJ-GJZGRUSLSA-N 1 3 337.468 -0.907 20 0 EBADHO C[C@@H]1[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@@H+]1C ZINC000648795566 420733023 /nfs/dbraw/zinc/73/30/23/420733023.db2.gz QDCQVTROVYSGRF-TZMCWYRMSA-N 1 3 336.440 -0.160 20 0 EBADHO C[C@@H]1[C@H](C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@H+]1C ZINC000648795566 420733025 /nfs/dbraw/zinc/73/30/25/420733025.db2.gz QDCQVTROVYSGRF-TZMCWYRMSA-N 1 3 336.440 -0.160 20 0 EBADHO C[C@@H]1COCCN1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524922656 420739242 /nfs/dbraw/zinc/73/92/42/420739242.db2.gz KHUYTAHDVIDSMI-OAHLLOKOSA-N 1 3 329.489 -0.158 20 0 EBADHO Cn1c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000530241854 420780767 /nfs/dbraw/zinc/78/07/67/420780767.db2.gz RGJGVVREOZRSGY-OAHLLOKOSA-N 1 3 336.436 -0.326 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1=CCCOC1 ZINC000658535808 420961136 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C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCNCC2)CCO1 ZINC000662954711 421117560 /nfs/dbraw/zinc/11/75/60/421117560.db2.gz NPFMQLZWHUWOKG-AWEZNQCLSA-N 1 3 326.441 -0.623 20 0 EBADHO CN(C)CCC[N@H+](C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000664247491 421152949 /nfs/dbraw/zinc/15/29/49/421152949.db2.gz OQAMFJCBHANRJK-UHFFFAOYSA-N 1 3 337.428 -0.332 20 0 EBADHO CN(C)CCC[N@@H+](C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000664247491 421152953 /nfs/dbraw/zinc/15/29/53/421152953.db2.gz OQAMFJCBHANRJK-UHFFFAOYSA-N 1 3 337.428 -0.332 20 0 EBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000425821696 421191475 /nfs/dbraw/zinc/19/14/75/421191475.db2.gz RFTMNYWVEGKKLM-UONOGXRCSA-N 1 3 348.451 -0.064 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410496128 264696846 /nfs/dbraw/zinc/69/68/46/264696846.db2.gz CSVJNDVPQYUALC-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417758927 264816703 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336.480 -0.008 20 0 EBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C3CN([C@@H]4CCOC4)C3)C2)CC1 ZINC000896324537 582662143 /nfs/dbraw/zinc/66/21/43/582662143.db2.gz DSSFMCVGHNTNMZ-NVXWUHKLSA-N 1 3 336.480 -0.008 20 0 EBADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000897465592 582690080 /nfs/dbraw/zinc/69/00/80/582690080.db2.gz XRJKUJROPPVBPP-CQSZACIVSA-N 1 3 325.457 -0.256 20 0 EBADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000897465592 582690081 /nfs/dbraw/zinc/69/00/81/582690081.db2.gz XRJKUJROPPVBPP-CQSZACIVSA-N 1 3 325.457 -0.256 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733654 582755788 /nfs/dbraw/zinc/75/57/88/582755788.db2.gz HAAYTUMUJXCULO-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899733654 582755789 /nfs/dbraw/zinc/75/57/89/582755789.db2.gz HAAYTUMUJXCULO-CABCVRRESA-N 1 3 340.468 -0.641 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCNC(=O)C1 ZINC000900481104 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ZINC000804058359 583640499 /nfs/dbraw/zinc/64/04/99/583640499.db2.gz ZYYOBVPTSNUQHG-KKUMJFAQSA-N 1 3 340.468 -0.188 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000817994057 583733005 /nfs/dbraw/zinc/73/30/05/583733005.db2.gz ZJLBXYFZQPTHIU-OAGGEKHMSA-N 1 3 349.479 -0.955 20 0 EBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC000818647583 583746748 /nfs/dbraw/zinc/74/67/48/583746748.db2.gz AQLDABNSCPZDRK-YHUYYLMFSA-N 1 3 348.451 -0.281 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000842015762 584056327 /nfs/dbraw/zinc/05/63/27/584056327.db2.gz MYLNWCVMVQXREU-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190781 584060397 /nfs/dbraw/zinc/06/03/97/584060397.db2.gz IOAYJNYZSKWBNA-JKSUJKDBSA-N 1 3 340.493 -0.106 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852884492 584218748 /nfs/dbraw/zinc/21/87/48/584218748.db2.gz GPALQLWYMBKGNQ-GFCCVEGCSA-N 1 3 326.397 -0.519 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852884493 584218777 /nfs/dbraw/zinc/21/87/77/584218777.db2.gz GPALQLWYMBKGNQ-LBPRGKRZSA-N 1 3 326.397 -0.519 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861756359 584337601 /nfs/dbraw/zinc/33/76/01/584337601.db2.gz YDPVUGBRQBUFDW-MCIONIFRSA-N 1 3 336.436 -0.633 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863761862 584377159 /nfs/dbraw/zinc/37/71/59/584377159.db2.gz RRNZIQKAZWOTJD-LBPRGKRZSA-N 1 3 335.408 -0.456 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@H]1C[NH3+] ZINC000868403951 584428679 /nfs/dbraw/zinc/42/86/79/584428679.db2.gz BFQUPJRWKOZGRI-ZIAGYGMSSA-N 1 3 340.468 -0.249 20 0 EBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN(c3ccncc3)CC1)C2 ZINC000872185250 584458531 /nfs/dbraw/zinc/45/85/31/584458531.db2.gz JXRFZBSQKQSVPY-KBXCAEBGSA-N 1 3 343.431 -0.202 20 0 EBADHO CC[NH+]1CCN(CCCNC(=O)[C@@]2(COC)CNCCO2)CC1 ZINC000876781988 584523683 /nfs/dbraw/zinc/52/36/83/584523683.db2.gz UDDMGXUQSHAOBJ-INIZCTEOSA-N 1 3 328.457 -0.865 20 0 EBADHO COCCN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000877132538 584529114 /nfs/dbraw/zinc/52/91/14/584529114.db2.gz GSYWRIFUOQVPAG-INIZCTEOSA-N 1 3 342.484 -0.097 20 0 EBADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000884529240 584625755 /nfs/dbraw/zinc/62/57/55/584625755.db2.gz KAXMTVHWNQNIBY-LLVKDONJSA-N 1 3 332.395 -0.052 20 0 EBADHO CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000884560521 584627727 /nfs/dbraw/zinc/62/77/27/584627727.db2.gz ZMCLOJZXMFQZIW-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)N(C)C1CC1 ZINC000884617881 584629831 /nfs/dbraw/zinc/62/98/31/584629831.db2.gz UIYSGONLRIIOBI-WDEREUQCSA-N 1 3 332.395 -0.054 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884637296 584630553 /nfs/dbraw/zinc/63/05/53/584630553.db2.gz ICQRUQLNGYXYJE-HDJSIYSDSA-N 1 3 328.457 -0.295 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1c1ccncc1 ZINC000884678949 584633753 /nfs/dbraw/zinc/63/37/53/584633753.db2.gz PWDGOFOCXBIGDI-WFASDCNBSA-N 1 3 331.420 -0.028 20 0 EBADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884725705 584636399 /nfs/dbraw/zinc/63/63/99/584636399.db2.gz ULPNEVBWRIEQNI-HNNXBMFYSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000884726655 584636586 /nfs/dbraw/zinc/63/65/86/584636586.db2.gz YXIVTSUYPQVZFQ-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCC1(C)C ZINC000884808706 584638304 /nfs/dbraw/zinc/63/83/04/584638304.db2.gz ZHHZAPHMUYWVCJ-UHFFFAOYSA-N 1 3 326.441 -0.447 20 0 EBADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891439026 650047408 /nfs/dbraw/zinc/04/74/08/650047408.db2.gz ADEGPZJMVAKUBL-RQJABVFESA-N 1 3 337.424 -0.343 20 0 EBADHO CN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1(C[NH3+])CCOCC1 ZINC000904971897 650053610 /nfs/dbraw/zinc/05/36/10/650053610.db2.gz RNLAAOXAUNNERG-CQSZACIVSA-N 1 3 338.452 -0.351 20 0 EBADHO CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906646194 650069459 /nfs/dbraw/zinc/06/94/59/650069459.db2.gz OYTALFBDWFUPKX-UHFFFAOYSA-N 1 3 333.436 -0.163 20 0 EBADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000910414059 650110710 /nfs/dbraw/zinc/11/07/10/650110710.db2.gz YYZHCMYFFQJTPL-ZIAGYGMSSA-N 1 3 325.409 -0.730 20 0 EBADHO COC(=O)[C@H]1CN(C)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000910414054 650110767 /nfs/dbraw/zinc/11/07/67/650110767.db2.gz YYZHCMYFFQJTPL-KBPBESRZSA-N 1 3 325.409 -0.730 20 0 EBADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000910968510 650142412 /nfs/dbraw/zinc/14/24/12/650142412.db2.gz AGJQLCSIOWONBZ-UHFFFAOYSA-N 1 3 339.484 -0.613 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)N1CCC(C)CC1 ZINC000911091776 650150653 /nfs/dbraw/zinc/15/06/53/650150653.db2.gz PUGPZCQCFACYHW-YOEHRIQHSA-N 1 3 340.468 -0.465 20 0 EBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911146216 650153801 /nfs/dbraw/zinc/15/38/01/650153801.db2.gz JUGQKGKACNNMLH-HKWIRBFKSA-N 1 3 348.369 -0.067 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911177537 650157402 /nfs/dbraw/zinc/15/74/02/650157402.db2.gz URYGAMDILQZCDJ-INIZCTEOSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[C@H]1C[NH3+] ZINC000911198118 650159103 /nfs/dbraw/zinc/15/91/03/650159103.db2.gz GAPAHKFJSRQUPA-WWGRRREGSA-N 1 3 342.509 -0.017 20 0 EBADHO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000911224408 650160844 /nfs/dbraw/zinc/16/08/44/650160844.db2.gz XZQDJZOOJSJSLT-QJPTWQEYSA-N 1 3 348.369 -0.065 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298190 650167744 /nfs/dbraw/zinc/16/77/44/650167744.db2.gz SPBHAUWFWCNCMT-ZOPJHEKZSA-N 1 3 338.452 -0.374 20 0 EBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911298190 650167745 /nfs/dbraw/zinc/16/77/45/650167745.db2.gz SPBHAUWFWCNCMT-ZOPJHEKZSA-N 1 3 338.452 -0.374 20 0 EBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911410997 650179395 /nfs/dbraw/zinc/17/93/95/650179395.db2.gz JAIHVHPOWBVXRS-AWEZNQCLSA-N 1 3 339.484 -0.485 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911410989 650179124 /nfs/dbraw/zinc/17/91/24/650179124.db2.gz IXDVMWCAJBFACR-AWEZNQCLSA-N 1 3 325.457 -0.922 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N1CCNCCC12CCC2)C[NH+](C)C ZINC000911436474 650183799 /nfs/dbraw/zinc/18/37/99/650183799.db2.gz SWMLMSHWTZDGDS-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CCO1 ZINC000911532226 650190843 /nfs/dbraw/zinc/19/08/43/650190843.db2.gz KRWJBTWRFWMUPI-OLZOCXBDSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375785 650339202 /nfs/dbraw/zinc/33/92/02/650339202.db2.gz FCURJYISKJWJLE-UONOGXRCSA-N 1 3 331.482 -0.032 20 0 EBADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000923526672 650342775 /nfs/dbraw/zinc/34/27/75/650342775.db2.gz RMVLTSQDBQJXLV-ULQDDVLXSA-N 1 3 347.459 -0.120 20 0 EBADHO O=C(CN1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923606555 650346854 /nfs/dbraw/zinc/34/68/54/650346854.db2.gz YTGPVLMPCXWYNN-CQSZACIVSA-N 1 3 344.481 -0.692 20 0 EBADHO CCN1CCN(C[C@@H](C)CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923618625 650348073 /nfs/dbraw/zinc/34/80/73/650348073.db2.gz ATVZYLPQWQRVCQ-LSDHHAIUSA-N 1 3 332.514 -0.069 20 0 EBADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)N2CCNCC2)C1 ZINC000923652272 650350529 /nfs/dbraw/zinc/35/05/29/650350529.db2.gz KLTJVTAQVZTWMR-RDBSUJKOSA-N 1 3 332.470 -0.503 20 0 EBADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923645494 650350763 /nfs/dbraw/zinc/35/07/63/650350763.db2.gz HFTVSQCTCJHEPI-UONOGXRCSA-N 1 3 332.470 -0.645 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926328829 650385889 /nfs/dbraw/zinc/38/58/89/650385889.db2.gz SRTWYHGLMQIUQY-HUUCEWRRSA-N 1 3 340.468 -0.247 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)CC[C@@H]1C[NH3+] ZINC000926336528 650386877 /nfs/dbraw/zinc/38/68/77/650386877.db2.gz XYFMGXMLRMOOCE-MCIONIFRSA-N 1 3 326.441 -0.781 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000946927485 653273791 /nfs/dbraw/zinc/27/37/91/653273791.db2.gz JGVWEFGVNPIMOU-KGLIPLIRSA-N 1 3 340.468 -0.452 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943591275 653433121 /nfs/dbraw/zinc/43/31/21/653433121.db2.gz GKNLYRJNNCQMOQ-BPLDGKMQSA-N 1 3 349.435 -0.364 20 0 EBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943591275 653433125 /nfs/dbraw/zinc/43/31/25/653433125.db2.gz GKNLYRJNNCQMOQ-BPLDGKMQSA-N 1 3 349.435 -0.364 20 0 EBADHO COCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076697 722301400 /nfs/dbraw/zinc/30/14/00/722301400.db2.gz JXHVPNHVENVHSE-DZGCQCFKSA-N 1 3 339.440 -0.886 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1 ZINC000958400496 722360540 /nfs/dbraw/zinc/36/05/40/722360540.db2.gz VQNGXLCUTJIXQH-IRXDYDNUSA-N 1 3 335.448 -0.195 20 0 EBADHO CN(CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC001018971619 728758700 /nfs/dbraw/zinc/75/87/00/728758700.db2.gz KVTNYIYJPBYQAT-ZDUSSCGKSA-N 1 3 336.436 -0.190 20 0 EBADHO C[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC000968648631 725095966 /nfs/dbraw/zinc/09/59/66/725095966.db2.gz VVLBKJYVZYXWFC-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC000968648631 725095969 /nfs/dbraw/zinc/09/59/69/725095969.db2.gz VVLBKJYVZYXWFC-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC000968719375 725109496 /nfs/dbraw/zinc/10/94/96/725109496.db2.gz RZLNIFIMAAVTAC-ZIAGYGMSSA-N 1 3 348.451 -0.521 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000970104012 725251412 /nfs/dbraw/zinc/25/14/12/725251412.db2.gz XPQAXCUVMCCWBI-VXGBXAGGSA-N 1 3 326.422 -0.423 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)cn1 ZINC000970230976 725265386 /nfs/dbraw/zinc/26/53/86/725265386.db2.gz HUMBEKDFMBOPMO-HUUCEWRRSA-N 1 3 348.451 -0.473 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970333858 725279049 /nfs/dbraw/zinc/27/90/49/725279049.db2.gz BAVNGZITKNFKMB-KGLIPLIRSA-N 1 3 336.436 -0.286 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000991618412 725488017 /nfs/dbraw/zinc/48/80/17/725488017.db2.gz MLBSCGSICCFYER-KBPBESRZSA-N 1 3 347.419 -0.874 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001051650670 735291813 /nfs/dbraw/zinc/29/18/13/735291813.db2.gz CQVZGDGAVBBWMW-UONOGXRCSA-N 1 3 338.452 -0.482 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001051650669 735292182 /nfs/dbraw/zinc/29/21/82/735292182.db2.gz CQVZGDGAVBBWMW-KGLIPLIRSA-N 1 3 338.452 -0.482 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714474 725566277 /nfs/dbraw/zinc/56/62/77/725566277.db2.gz YKQQFPHUDJHXHA-IBTMFYDMSA-N 1 3 348.447 -0.872 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000991714474 725566280 /nfs/dbraw/zinc/56/62/80/725566280.db2.gz YKQQFPHUDJHXHA-IBTMFYDMSA-N 1 3 348.447 -0.872 20 0 EBADHO O=C(N[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC000991935394 725679681 /nfs/dbraw/zinc/67/96/81/725679681.db2.gz QYKBYCHDSIPVIP-QGCXPJKYSA-N 1 3 335.448 -0.045 20 0 EBADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC000991935394 725679682 /nfs/dbraw/zinc/67/96/82/725679682.db2.gz QYKBYCHDSIPVIP-QGCXPJKYSA-N 1 3 335.448 -0.045 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993565782 725904325 /nfs/dbraw/zinc/90/43/25/725904325.db2.gz ACZZZRWMSSYPGJ-GJZGRUSLSA-N 1 3 336.436 -0.728 20 0 EBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000993565782 725904329 /nfs/dbraw/zinc/90/43/29/725904329.db2.gz ACZZZRWMSSYPGJ-GJZGRUSLSA-N 1 3 336.436 -0.728 20 0 EBADHO CC1(C)CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O ZINC000996069491 726329066 /nfs/dbraw/zinc/32/90/66/726329066.db2.gz JNNDXACGCYLMJC-XPFWZQFZSA-N 1 3 336.436 -0.839 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000999181769 726510091 /nfs/dbraw/zinc/51/00/91/726510091.db2.gz MKBSYBRMCZDVRW-KGLIPLIRSA-N 1 3 348.451 -0.473 20 0 EBADHO C[NH+]1CCC(C(=O)NCc2cn([C@@H]3CCN(CCO)C3)nn2)CC1 ZINC001000019788 726550980 /nfs/dbraw/zinc/55/09/80/726550980.db2.gz GJJFDGPIQFVGIC-OAHLLOKOSA-N 1 3 336.440 -0.525 20 0 EBADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002874257 726651796 /nfs/dbraw/zinc/65/17/96/726651796.db2.gz HJDZSCUKORYGPL-HZPDHXFCSA-N 1 3 348.451 -0.278 20 0 EBADHO O=C(NC1CCN(CCn2cncn2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001002874257 726651797 /nfs/dbraw/zinc/65/17/97/726651797.db2.gz HJDZSCUKORYGPL-HZPDHXFCSA-N 1 3 348.451 -0.278 20 0 EBADHO Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)cc1=O ZINC001051848424 735426261 /nfs/dbraw/zinc/42/62/61/735426261.db2.gz QZNLGBXDRIJGNN-OAHLLOKOSA-N 1 3 345.403 -0.332 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001020178691 729092315 /nfs/dbraw/zinc/09/23/15/729092315.db2.gz BBSBLSSICPQTKP-TUVASFSCSA-N 1 3 334.424 -0.622 20 0 EBADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020407285 729160571 /nfs/dbraw/zinc/16/05/71/729160571.db2.gz XJUSIPHQMPTLFO-RJMWBIHPSA-N 1 3 336.436 -0.650 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020587774 729205086 /nfs/dbraw/zinc/20/50/86/729205086.db2.gz UGFDXWNAWZURBZ-AVGNSLFASA-N 1 3 337.424 -0.741 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001022118946 729457235 /nfs/dbraw/zinc/45/72/35/729457235.db2.gz AYIUDVDCPDKZQY-QXSJWSMHSA-N 1 3 333.436 -0.017 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715934 729524410 /nfs/dbraw/zinc/52/44/10/729524410.db2.gz OHOOISMYVISCIG-TUVASFSCSA-N 1 3 343.493 0.000 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715928 729524418 /nfs/dbraw/zinc/52/44/18/729524418.db2.gz OHOOISMYVISCIG-BARDWOONSA-N 1 3 343.493 0.000 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794105 730089514 /nfs/dbraw/zinc/08/95/14/730089514.db2.gz ZMQGCWGPPBMMEQ-LREAXHOUSA-N 1 3 334.420 -0.822 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@H+]1C ZINC001025794105 730089515 /nfs/dbraw/zinc/08/95/15/730089515.db2.gz ZMQGCWGPPBMMEQ-LREAXHOUSA-N 1 3 334.420 -0.822 20 0 EBADHO COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908380 730104834 /nfs/dbraw/zinc/10/48/34/730104834.db2.gz DSPMHCLWVUFWKO-HTRNMQKXSA-N 1 3 335.448 -0.069 20 0 EBADHO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908380 730104835 /nfs/dbraw/zinc/10/48/35/730104835.db2.gz DSPMHCLWVUFWKO-HTRNMQKXSA-N 1 3 335.448 -0.069 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043516 730117392 /nfs/dbraw/zinc/11/73/92/730117392.db2.gz IALGXZFMVAZNFQ-GAGVYUBLSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043516 730117393 /nfs/dbraw/zinc/11/73/93/730117393.db2.gz IALGXZFMVAZNFQ-GAGVYUBLSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001026885051 730166917 /nfs/dbraw/zinc/16/69/17/730166917.db2.gz FKGXXXIYARJCGY-OLZOCXBDSA-N 1 3 336.436 -0.286 20 0 EBADHO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029151905 730391656 /nfs/dbraw/zinc/39/16/56/730391656.db2.gz CIUWYPHCPXPVFL-RISCZKNCSA-N 1 3 347.419 -0.026 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001040900879 731910356 /nfs/dbraw/zinc/91/03/56/731910356.db2.gz BSDJVKJWTMYOQG-QGZVFWFLSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001040900879 731910358 /nfs/dbraw/zinc/91/03/58/731910358.db2.gz BSDJVKJWTMYOQG-QGZVFWFLSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043261782 732847953 /nfs/dbraw/zinc/84/79/53/732847953.db2.gz QGJCLLJSROSLEP-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043261782 732847956 /nfs/dbraw/zinc/84/79/56/732847956.db2.gz QGJCLLJSROSLEP-ZIAGYGMSSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001043679296 733056637 /nfs/dbraw/zinc/05/66/37/733056637.db2.gz YIJLQVNXNQVQEP-ZIAGYGMSSA-N 1 3 342.484 -0.398 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001044301900 733367461 /nfs/dbraw/zinc/36/74/61/733367461.db2.gz ATSPBQPCUYBGPL-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001044301900 733367462 /nfs/dbraw/zinc/36/74/62/733367462.db2.gz ATSPBQPCUYBGPL-UHFFFAOYSA-N 1 3 328.457 -0.641 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001044323472 733383044 /nfs/dbraw/zinc/38/30/44/733383044.db2.gz MSUCRNIEBRNZRO-UHFFFAOYSA-N 1 3 337.424 -0.708 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001044323472 733383049 /nfs/dbraw/zinc/38/30/49/733383049.db2.gz MSUCRNIEBRNZRO-UHFFFAOYSA-N 1 3 337.424 -0.708 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001044757615 733500259 /nfs/dbraw/zinc/50/02/59/733500259.db2.gz UZBPQKJSFFEVBP-NWDGAFQWSA-N 1 3 348.407 -0.527 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392600 733685055 /nfs/dbraw/zinc/68/50/55/733685055.db2.gz ZFWMVURAEQJEBY-UHFFFAOYSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001046525799 733954288 /nfs/dbraw/zinc/95/42/88/733954288.db2.gz UCPONWIRHRSYAW-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001046525799 733954290 /nfs/dbraw/zinc/95/42/90/733954290.db2.gz UCPONWIRHRSYAW-CYBMUJFWSA-N 1 3 328.457 -0.642 20 0 EBADHO C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C[C@H](O)Cn2cccn2)C1 ZINC001046777111 734025134 /nfs/dbraw/zinc/02/51/34/734025134.db2.gz RDJKYLZGHCSBKC-RDJZCZTQSA-N 1 3 347.463 -0.080 20 0 EBADHO CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001061859348 738789619 /nfs/dbraw/zinc/78/96/19/738789619.db2.gz JXQDMBREGSJTIK-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862399 738791429 /nfs/dbraw/zinc/79/14/29/738791429.db2.gz SRCSMPQJDMBIGW-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(C)C1(C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CCC1 ZINC001048984475 734600174 /nfs/dbraw/zinc/60/01/74/734600174.db2.gz KUNQGNUZWMFTDO-KBPBESRZSA-N 1 3 340.468 -0.548 20 0 EBADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059579 734630547 /nfs/dbraw/zinc/63/05/47/734630547.db2.gz VRPSXSCUPJCOMT-ZNMIVQPWSA-N 1 3 334.464 -0.003 20 0 EBADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059579 734630551 /nfs/dbraw/zinc/63/05/51/734630551.db2.gz VRPSXSCUPJCOMT-ZNMIVQPWSA-N 1 3 334.464 -0.003 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049082046 734639866 /nfs/dbraw/zinc/63/98/66/734639866.db2.gz BOESNNIEYNUQTL-IJEWVQPXSA-N 1 3 344.419 -0.400 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049082046 734639867 /nfs/dbraw/zinc/63/98/67/734639867.db2.gz BOESNNIEYNUQTL-IJEWVQPXSA-N 1 3 344.419 -0.400 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049083705 734640125 /nfs/dbraw/zinc/64/01/25/734640125.db2.gz PCEDUVNZEYUNJD-LOWVWBTDSA-N 1 3 331.376 -0.852 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049083705 734640126 /nfs/dbraw/zinc/64/01/26/734640126.db2.gz PCEDUVNZEYUNJD-LOWVWBTDSA-N 1 3 331.376 -0.852 20 0 EBADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049214071 734687481 /nfs/dbraw/zinc/68/74/81/734687481.db2.gz ZMHDNEDMEGNMCW-KFWWJZLASA-N 1 3 334.464 -0.051 20 0 EBADHO CN(C(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CC1 ZINC001049214071 734687482 /nfs/dbraw/zinc/68/74/82/734687482.db2.gz ZMHDNEDMEGNMCW-KFWWJZLASA-N 1 3 334.464 -0.051 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O)N(C)C ZINC001049578538 734758234 /nfs/dbraw/zinc/75/82/34/734758234.db2.gz ZVBRGNOHKKHKOX-AJNGGQMLSA-N 1 3 340.468 -0.692 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O)N(C)C ZINC001049578538 734758239 /nfs/dbraw/zinc/75/82/39/734758239.db2.gz ZVBRGNOHKKHKOX-AJNGGQMLSA-N 1 3 340.468 -0.692 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001049632065 734768522 /nfs/dbraw/zinc/76/85/22/734768522.db2.gz UAOOEVLICYAJHT-KBPBESRZSA-N 1 3 337.424 -0.676 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001054297960 736187453 /nfs/dbraw/zinc/18/74/53/736187453.db2.gz CIVUTGVAFJOLNV-VNHYZAJKSA-N 1 3 338.452 -0.042 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104823 736643277 /nfs/dbraw/zinc/64/32/77/736643277.db2.gz HFKVNZSOTSNXRI-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632941 737373360 /nfs/dbraw/zinc/37/33/60/737373360.db2.gz ASZQFXOLDVGVKE-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632941 737373363 /nfs/dbraw/zinc/37/33/63/737373363.db2.gz ASZQFXOLDVGVKE-CQSZACIVSA-N 1 3 328.457 -0.783 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001057864048 737484917 /nfs/dbraw/zinc/48/49/17/737484917.db2.gz AHVFAVJIRHFYKV-CABCVRRESA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001057864048 737484918 /nfs/dbraw/zinc/48/49/18/737484918.db2.gz AHVFAVJIRHFYKV-CABCVRRESA-N 1 3 342.484 -0.539 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001057942713 737546635 /nfs/dbraw/zinc/54/66/35/737546635.db2.gz RAOBEKJFZXNQLQ-AWEZNQCLSA-N 1 3 344.500 -0.006 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001057942713 737546638 /nfs/dbraw/zinc/54/66/38/737546638.db2.gz RAOBEKJFZXNQLQ-AWEZNQCLSA-N 1 3 344.500 -0.006 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001058168418 737690200 /nfs/dbraw/zinc/69/02/00/737690200.db2.gz DFUJTEFFBDPVGC-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001058168418 737690202 /nfs/dbraw/zinc/69/02/02/737690202.db2.gz DFUJTEFFBDPVGC-GJZGRUSLSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C)N(C)C ZINC001058237158 737727003 /nfs/dbraw/zinc/72/70/03/737727003.db2.gz SOXJTEFAJDDLIS-OAHLLOKOSA-N 1 3 344.500 -0.004 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610229 737920884 /nfs/dbraw/zinc/92/08/84/737920884.db2.gz DNRUBPIEWCREQI-UHFFFAOYSA-N 1 3 330.473 -0.393 20 0 EBADHO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001058816116 738003228 /nfs/dbraw/zinc/00/32/28/738003228.db2.gz JPHRCHJVFKJHIP-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001058816116 738003229 /nfs/dbraw/zinc/00/32/29/738003229.db2.gz JPHRCHJVFKJHIP-MRXNPFEDSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065256328 739616333 /nfs/dbraw/zinc/61/63/33/739616333.db2.gz JSELJCKKAFPENI-HUUCEWRRSA-N 1 3 340.468 -0.378 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001065256328 739616336 /nfs/dbraw/zinc/61/63/36/739616336.db2.gz JSELJCKKAFPENI-HUUCEWRRSA-N 1 3 340.468 -0.378 20 0 EBADHO CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001065374719 739681255 /nfs/dbraw/zinc/68/12/55/739681255.db2.gz QZCZUNJPDOQNPG-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)N(C)C ZINC001065572748 739769074 /nfs/dbraw/zinc/76/90/74/739769074.db2.gz WQNPQYCGTHPXRV-GDBMZVCRSA-N 1 3 342.484 -0.132 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332455 740788822 /nfs/dbraw/zinc/78/88/22/740788822.db2.gz FIZQWVVWZBISNW-KFWWJZLASA-N 1 3 336.440 -0.514 20 0 EBADHO CN(CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001070655534 740911090 /nfs/dbraw/zinc/91/10/90/740911090.db2.gz QGUOYBWKDDPZKY-HUUCEWRRSA-N 1 3 335.452 -0.219 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001072150968 741322395 /nfs/dbraw/zinc/32/23/95/741322395.db2.gz WJWSLIFBVNDKKU-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433701 741399151 /nfs/dbraw/zinc/39/91/51/741399151.db2.gz ZSDDAWDBVRNCEZ-HUUCEWRRSA-N 1 3 342.484 -0.132 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC001072752283 741473033 /nfs/dbraw/zinc/47/30/33/741473033.db2.gz CSBYWGXRUUELEM-HUUCEWRRSA-N 1 3 349.479 -0.114 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)CC[N@H+]1C ZINC001072752283 741473035 /nfs/dbraw/zinc/47/30/35/741473035.db2.gz CSBYWGXRUUELEM-HUUCEWRRSA-N 1 3 349.479 -0.114 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CNC2=O)C3)C1 ZINC001073425707 741612052 /nfs/dbraw/zinc/61/20/52/741612052.db2.gz FQECUMQPZLNEDY-ZDUSSCGKSA-N 1 3 349.435 -0.976 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CNC2=O)C3)C1 ZINC001073425707 741612053 /nfs/dbraw/zinc/61/20/53/741612053.db2.gz FQECUMQPZLNEDY-ZDUSSCGKSA-N 1 3 349.435 -0.976 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074519993 741980235 /nfs/dbraw/zinc/98/02/35/741980235.db2.gz NOKVZZXEBNLVAQ-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001074758939 742101775 /nfs/dbraw/zinc/10/17/75/742101775.db2.gz KQGPFUVNLNJKGG-UHFFFAOYSA-N 1 3 337.424 -0.626 20 0 EBADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001074959519 742146560 /nfs/dbraw/zinc/14/65/60/742146560.db2.gz QZSJWDZBILJIQT-AEGPPILISA-N 1 3 348.451 -0.474 20 0 EBADHO NC(=O)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001075395627 742222463 /nfs/dbraw/zinc/22/24/63/742222463.db2.gz TWLJJXVTFFPCPG-ZFWWWQNUSA-N 1 3 349.435 -0.187 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077618910 743121218 /nfs/dbraw/zinc/12/12/18/743121218.db2.gz VFTHQASJOYMGNI-NUEKZKHPSA-N 1 3 325.453 -0.084 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)C1 ZINC000977207460 804223417 /nfs/dbraw/zinc/22/34/17/804223417.db2.gz JASSSCGSXWLIMZ-NPCUJANDSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000977207460 804223425 /nfs/dbraw/zinc/22/34/25/804223425.db2.gz JASSSCGSXWLIMZ-NPCUJANDSA-N 1 3 334.464 -0.147 20 0 EBADHO Cc1nc(CN[C@@H](C)[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC000979446077 805384626 /nfs/dbraw/zinc/38/46/26/805384626.db2.gz JUTIDVVTLZPRQV-JSGCOSHPSA-N 1 3 348.451 -0.086 20 0 EBADHO C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055690 807829277 /nfs/dbraw/zinc/82/92/77/807829277.db2.gz CQCQWISKDFUGBY-ZYHUDNBSSA-N 1 3 334.380 -0.917 20 0 EBADHO C[C@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)CN1CCCC1 ZINC000987525594 807953571 /nfs/dbraw/zinc/95/35/71/807953571.db2.gz PFHNJGRLLILQJC-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO O=C(N[C@@H]1CCCN(C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219282 810235668 /nfs/dbraw/zinc/23/56/68/810235668.db2.gz IEOAROKVFMASJO-HZPDHXFCSA-N 1 3 347.463 -0.080 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCCS(C)(=O)=O ZINC001214645715 810269121 /nfs/dbraw/zinc/26/91/21/810269121.db2.gz GILDWQNXEMPICL-BPLDGKMQSA-N 1 3 343.493 -0.191 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215536122 810334298 /nfs/dbraw/zinc/33/42/98/810334298.db2.gz JEAPHGBSLCKWBT-GRYCIOLGSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001216400836 810371116 /nfs/dbraw/zinc/37/11/16/810371116.db2.gz AMNJBGPGTROKHC-TZMCWYRMSA-N 1 3 326.441 -0.720 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463228 810374948 /nfs/dbraw/zinc/37/49/48/810374948.db2.gz AOEZCUBHQFGYGJ-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001216502999 810375373 /nfs/dbraw/zinc/37/53/73/810375373.db2.gz KNBKANFUIFYBTD-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001216839272 810394873 /nfs/dbraw/zinc/39/48/73/810394873.db2.gz PMPLPBXIGUXCLV-CHWSQXEVSA-N 1 3 339.440 -0.506 20 0 EBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218079150 810477765 /nfs/dbraw/zinc/47/77/65/810477765.db2.gz VPWYEKFRMHIRNY-KKUMJFAQSA-N 1 3 348.447 -0.225 20 0 EBADHO Nc1nonc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218541429 810499404 /nfs/dbraw/zinc/49/94/04/810499404.db2.gz GELKFWFVXIUPJS-IUCAKERBSA-N 1 3 325.373 -0.962 20 0 EBADHO CN1CCN(c2cc(NC(=O)[C@H](N)C3CC[NH2+]CC3)ncn2)CC1 ZINC001218572277 810505992 /nfs/dbraw/zinc/50/59/92/810505992.db2.gz HQQLVAFMLJDFKX-OAHLLOKOSA-N 1 3 333.440 -0.506 20 0 EBADHO CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218894666 810542655 /nfs/dbraw/zinc/54/26/55/810542655.db2.gz TUFFRKOCQBDIBI-NSHDSACASA-N 1 3 338.433 -0.316 20 0 EBADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@H]3COC4(CNC4)CN3)cc2)C1 ZINC001219233411 810625481 /nfs/dbraw/zinc/62/54/81/810625481.db2.gz NXJCDTWMLGPXJN-CZUORRHYSA-N 1 3 345.447 -0.117 20 0 EBADHO COc1ccc2c(C[C@H](N)C(=O)N[C@@H]3COC[C@@H]3[NH3+])cc(=O)oc2c1 ZINC001219720044 810808134 /nfs/dbraw/zinc/80/81/34/810808134.db2.gz FFPLDFALXIVGFU-MELADBBJSA-N 1 3 347.371 -0.486 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@]2(F)CCC[NH2+]C2)COC1(C)C ZINC001219771303 810835669 /nfs/dbraw/zinc/83/56/69/810835669.db2.gz KVIJQJIMNCEMKA-PGUXBMHVSA-N 1 3 330.404 -0.495 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)COC1(C)C ZINC001219779483 810838556 /nfs/dbraw/zinc/83/85/56/810838556.db2.gz HEVRSYZVBYJQDI-AAEUAGOBSA-N 1 3 338.452 -0.055 20 0 EBADHO O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219901318 810901254 /nfs/dbraw/zinc/90/12/54/810901254.db2.gz HKTCKCGYPIRUOR-DECQCQTCSA-N 1 3 344.415 -0.191 20 0 EBADHO Cn1c(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(N=O)c(=O)[nH]c1=O ZINC001219984765 810937661 /nfs/dbraw/zinc/93/76/61/810937661.db2.gz XSKRLPZPLDMPIH-QMMMGPOBSA-N 1 3 326.357 -0.119 20 0 EBADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C1CCOCC1 ZINC001220025571 810953046 /nfs/dbraw/zinc/95/30/46/810953046.db2.gz RVPSEGFVAVAKNW-KBPBESRZSA-N 1 3 339.436 -0.055 20 0 EBADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CCOCC1 ZINC001220025571 810953052 /nfs/dbraw/zinc/95/30/52/810953052.db2.gz RVPSEGFVAVAKNW-KBPBESRZSA-N 1 3 339.436 -0.055 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104974 810982750 /nfs/dbraw/zinc/98/27/50/810982750.db2.gz QQKQRWRYOXMIDL-CYBMUJFWSA-N 1 3 336.392 -0.972 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127348 810992709 /nfs/dbraw/zinc/99/27/09/810992709.db2.gz QPUBQOHUWGEZMQ-LBPRGKRZSA-N 1 3 342.465 -0.393 20 0 EBADHO CC(C)(C)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220217331 811020262 /nfs/dbraw/zinc/02/02/62/811020262.db2.gz VWDGIOQJZOAHQT-IHRRRGAJSA-N 1 3 342.484 -0.043 20 0 EBADHO CCOC(=O)CC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220230316 811027693 /nfs/dbraw/zinc/02/76/93/811027693.db2.gz IPUZVBRZQXNLCU-RYUDHWBXSA-N 1 3 341.408 -0.813 20 0 EBADHO [NH3+][C@H](C(=O)Nc1ncc(Br)[n-]c1=O)C1CC[NH2+]CC1 ZINC001220398823 811094859 /nfs/dbraw/zinc/09/48/59/811094859.db2.gz OFCPNVWWIKZMML-QMMMGPOBSA-N 1 3 330.186 -0.202 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC[NH2+]C1 ZINC001220524044 811138595 /nfs/dbraw/zinc/13/85/95/811138595.db2.gz XPZRIXQHPDOIAO-GWCFXTLKSA-N 1 3 338.408 -0.749 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H]2OC(C)=O)CCNC1 ZINC001220523523 811139183 /nfs/dbraw/zinc/13/91/83/811139183.db2.gz RCNWSELIEWEDRY-YPMHNXCESA-N 1 3 325.365 -0.936 20 0 EBADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220565905 811158211 /nfs/dbraw/zinc/15/82/11/811158211.db2.gz USDXDOANCHQGQC-ZIAGYGMSSA-N 1 3 332.404 -0.519 20 0 EBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220637935 811184697 /nfs/dbraw/zinc/18/46/97/811184697.db2.gz OKJYYBLDBFNDET-IMJJTQAJSA-N 1 3 341.452 -0.705 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220688983 811204647 /nfs/dbraw/zinc/20/46/47/811204647.db2.gz YNVXYRINXCKLKI-ZNMIVQPWSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220688983 811204651 /nfs/dbraw/zinc/20/46/51/811204651.db2.gz YNVXYRINXCKLKI-ZNMIVQPWSA-N 1 3 340.468 -0.594 20 0 EBADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220769772 811234510 /nfs/dbraw/zinc/23/45/10/811234510.db2.gz QSAVDZMDCNZJJF-KBPBESRZSA-N 1 3 339.440 -0.320 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220768268 811235108 /nfs/dbraw/zinc/23/51/08/811235108.db2.gz DCFYTDREWSSVLC-XHSDSOJGSA-N 1 3 343.468 -0.457 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786024 811240158 /nfs/dbraw/zinc/24/01/58/811240158.db2.gz KMWUCVRTCDDNEZ-HZSPNIEDSA-N 1 3 334.424 -0.376 20 0 EBADHO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220920607 811294969 /nfs/dbraw/zinc/29/49/69/811294969.db2.gz GICMCIZWCWHMIV-IIDMSEBBSA-N 1 3 343.431 -0.389 20 0 EBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220960047 811311959 /nfs/dbraw/zinc/31/19/59/811311959.db2.gz GFLWMOJGWKPVNP-MCIONIFRSA-N 1 3 339.436 -0.055 20 0 EBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220960047 811311963 /nfs/dbraw/zinc/31/19/63/811311963.db2.gz GFLWMOJGWKPVNP-MCIONIFRSA-N 1 3 339.436 -0.055 20 0 EBADHO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220981486 811324918 /nfs/dbraw/zinc/32/49/18/811324918.db2.gz VIVRRGDVLUBKGP-ZNMIVQPWSA-N 1 3 329.441 -0.848 20 0 EBADHO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](O)C1 ZINC001220981486 811324928 /nfs/dbraw/zinc/32/49/28/811324928.db2.gz VIVRRGDVLUBKGP-ZNMIVQPWSA-N 1 3 329.441 -0.848 20 0 EBADHO COCCC1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCS(=O)(=O)CC1 ZINC001221025912 811350988 /nfs/dbraw/zinc/35/09/88/811350988.db2.gz LXMIDCPRPKGWTH-ZDUSSCGKSA-N 1 3 347.481 -0.587 20 0 EBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001221188163 811411433 /nfs/dbraw/zinc/41/14/33/811411433.db2.gz QBRHJCYQISFDAK-SRVKXCTJSA-N 1 3 330.429 -0.739 20 0 EBADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221248151 811425789 /nfs/dbraw/zinc/42/57/89/811425789.db2.gz LAUDNWHHQZJQLO-UKRRQHHQSA-N 1 3 341.477 -0.198 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1CO ZINC001221309205 811438148 /nfs/dbraw/zinc/43/81/48/811438148.db2.gz KULBQSFPGQBTPF-AJNGGQMLSA-N 1 3 340.468 -0.289 20 0 EBADHO O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221408313 811452307 /nfs/dbraw/zinc/45/23/07/811452307.db2.gz IHXCJQCREAPIMD-OLZOCXBDSA-N 1 3 327.450 -0.733 20 0 EBADHO [NH3+]CCNC(=O)c1cccc(CN2CCOC[C@@]3(CNCCO3)C2)c1 ZINC001222191513 811608225 /nfs/dbraw/zinc/60/82/25/811608225.db2.gz MNOXBXKUVSTJAW-GOSISDBHSA-N 1 3 348.447 -0.434 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520834 811637199 /nfs/dbraw/zinc/63/71/99/811637199.db2.gz LGMIOKXKEPTKGC-LALPHHSUSA-N 1 3 328.407 -0.111 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520834 811637203 /nfs/dbraw/zinc/63/72/03/811637203.db2.gz LGMIOKXKEPTKGC-LALPHHSUSA-N 1 3 328.407 -0.111 20 0 EBADHO CC(=O)NCCOCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008678 812009319 /nfs/dbraw/zinc/00/93/19/812009319.db2.gz UBPIWHSEAXIWRS-UHFFFAOYSA-N 1 3 328.457 -0.329 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229232254 812021981 /nfs/dbraw/zinc/02/19/81/812021981.db2.gz ZMDGKCHSCGTRJW-VXGBXAGGSA-N 1 3 327.429 -0.460 20 0 EBADHO CCN(CC)CC(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC001229678917 812049878 /nfs/dbraw/zinc/04/98/78/812049878.db2.gz NMSFOLMHAYXWGF-INIZCTEOSA-N 1 3 345.484 -0.067 20 0 EBADHO COCCOCCN1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048565 812071436 /nfs/dbraw/zinc/07/14/36/812071436.db2.gz HZRLRKAXVURBRH-UHFFFAOYSA-N 1 3 331.457 -0.192 20 0 EBADHO CC[C@@H](C(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001080919741 812356994 /nfs/dbraw/zinc/35/69/94/812356994.db2.gz OKSJWZIZBNWOMW-AWEZNQCLSA-N 1 3 342.484 -0.252 20 0 EBADHO CCN(CC)CC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080989455 812427900 /nfs/dbraw/zinc/42/79/00/812427900.db2.gz XLDUMAUDMVZQMA-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO CCC(CC)[C@@H](N[C@@H]1CNC(=O)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410821 812571956 /nfs/dbraw/zinc/57/19/56/812571956.db2.gz MJKHKZZZNJJZTO-YPHJTZHRSA-N 1 3 341.452 -0.233 20 0 EBADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C[C@H](O)CO)CC1 ZINC001252059492 812645022 /nfs/dbraw/zinc/64/50/22/812645022.db2.gz YJPZVTYDYRQVBC-ARFHVFGLSA-N 1 3 325.453 -0.253 20 0 EBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@@H](C[NH3+])C(=O)OC ZINC001257920066 812773965 /nfs/dbraw/zinc/77/39/65/812773965.db2.gz RXZPMTOGEXMBGO-WDEREUQCSA-N 1 3 338.426 -0.920 20 0 EBADHO CN(C)CCCN(CCC[NH+](C)C)S(=O)(=O)CS(C)(=O)=O ZINC001260588693 812839156 /nfs/dbraw/zinc/83/91/56/812839156.db2.gz SRASEVXZVJDSHY-UHFFFAOYSA-N 1 3 343.515 -0.476 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC001262078753 813034460 /nfs/dbraw/zinc/03/44/60/813034460.db2.gz UJMTWZKHYLDPGD-OAHLLOKOSA-N 1 3 337.468 -0.826 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001264173107 813161293 /nfs/dbraw/zinc/16/12/93/813161293.db2.gz XWNWBEFTSUYELF-BMFZPTHFSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001264173107 813161295 /nfs/dbraw/zinc/16/12/95/813161295.db2.gz XWNWBEFTSUYELF-BMFZPTHFSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081553709 813167797 /nfs/dbraw/zinc/16/77/97/813167797.db2.gz MIWJKVAFMNFKHR-KGLIPLIRSA-N 1 3 328.457 -0.786 20 0 EBADHO CN(CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)C1CCC1 ZINC001081564025 813189754 /nfs/dbraw/zinc/18/97/54/813189754.db2.gz FKWBGMNTEHYMSO-ZFWWWQNUSA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@@H](O)CN1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265253430 813276925 /nfs/dbraw/zinc/27/69/25/813276925.db2.gz PSIZFLBXRRZHIS-CVEARBPZSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@@H](O)CN1CCN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001265253430 813276932 /nfs/dbraw/zinc/27/69/32/813276932.db2.gz PSIZFLBXRRZHIS-CVEARBPZSA-N 1 3 326.485 -0.167 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001265566301 813341343 /nfs/dbraw/zinc/34/13/43/813341343.db2.gz CUCJZVQAXWQWKN-GRYCIOLGSA-N 1 3 325.413 -0.885 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001265566584 813341377 /nfs/dbraw/zinc/34/13/77/813341377.db2.gz KBBQTLDPFDOVNC-MBNYWOFBSA-N 1 3 339.440 -0.639 20 0 EBADHO CN(CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)S(C)(=O)=O ZINC001266018886 813439493 /nfs/dbraw/zinc/43/94/93/813439493.db2.gz WBWBVFJRRXNMGO-LBPRGKRZSA-N 1 3 343.453 -0.718 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079962 813452636 /nfs/dbraw/zinc/45/26/36/813452636.db2.gz XBSWANZLMIMAMN-UONOGXRCSA-N 1 3 348.513 -0.107 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001266125568 813462545 /nfs/dbraw/zinc/46/25/45/813462545.db2.gz FMSTTZNYXLIALQ-ZIAGYGMSSA-N 1 3 336.436 -0.144 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001266125568 813462551 /nfs/dbraw/zinc/46/25/51/813462551.db2.gz FMSTTZNYXLIALQ-ZIAGYGMSSA-N 1 3 336.436 -0.144 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001081775067 813544283 /nfs/dbraw/zinc/54/42/83/813544283.db2.gz WVPPSIOGAAWKMT-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001081775067 813544290 /nfs/dbraw/zinc/54/42/90/813544290.db2.gz WVPPSIOGAAWKMT-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001266439819 813570405 /nfs/dbraw/zinc/57/04/05/813570405.db2.gz XTBBDVAATNTAKN-ZDUSSCGKSA-N 1 3 348.407 -0.703 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001266601464 813619624 /nfs/dbraw/zinc/61/96/24/813619624.db2.gz CUCJZVQAXWQWKN-IJLUTSLNSA-N 1 3 325.413 -0.885 20 0 EBADHO CC[C@H](C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833980 813680192 /nfs/dbraw/zinc/68/01/92/813680192.db2.gz CBINEASBBXFPTQ-CHWSQXEVSA-N 1 3 326.441 -0.040 20 0 EBADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001266989095 813721861 /nfs/dbraw/zinc/72/18/61/813721861.db2.gz SDNITEHJPUSIOD-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001267012375 813733590 /nfs/dbraw/zinc/73/35/90/813733590.db2.gz KHDCAOGZBXAIQN-QWHCGFSZSA-N 1 3 339.440 -0.541 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCC(=O)N1CCOCC1 ZINC001267110010 813761785 /nfs/dbraw/zinc/76/17/85/813761785.db2.gz PHIJRROYEDTDOS-GASCZTMLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCC(=O)N1CCOCC1 ZINC001267110010 813761790 /nfs/dbraw/zinc/76/17/90/813761790.db2.gz PHIJRROYEDTDOS-GASCZTMLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC(=O)NCC ZINC001267380088 813867096 /nfs/dbraw/zinc/86/70/96/813867096.db2.gz HHJOVPGPUSZHFE-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC(=O)NCC ZINC001267380088 813867103 /nfs/dbraw/zinc/86/71/03/813867103.db2.gz HHJOVPGPUSZHFE-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001082798461 814009385 /nfs/dbraw/zinc/00/93/85/814009385.db2.gz VPJVELPJROJJCR-MBNYWOFBSA-N 1 3 336.440 -0.631 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001267969567 814079351 /nfs/dbraw/zinc/07/93/51/814079351.db2.gz JNHCONZIDJAVCK-OLZOCXBDSA-N 1 3 334.486 -0.544 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268591259 814308304 /nfs/dbraw/zinc/30/83/04/814308304.db2.gz PQCLILOSDOLUCF-MVZIDQBPSA-N 1 3 325.413 -0.954 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268591259 814308311 /nfs/dbraw/zinc/30/83/11/814308311.db2.gz PQCLILOSDOLUCF-MVZIDQBPSA-N 1 3 325.413 -0.954 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001268920836 814443035 /nfs/dbraw/zinc/44/30/35/814443035.db2.gz XRULPPWJBKIWAI-STQMWFEESA-N 1 3 343.472 -0.145 20 0 EBADHO CS(=O)(=O)CCNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269135998 814547313 /nfs/dbraw/zinc/54/73/13/814547313.db2.gz RTPACCJRJPIWAD-ZDUSSCGKSA-N 1 3 329.466 -0.389 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001269970367 815653457 /nfs/dbraw/zinc/65/34/57/815653457.db2.gz CJIBERSTAHILJT-NEPJUHHUSA-N 1 3 343.453 -0.530 20 0 EBADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714021 815966436 /nfs/dbraw/zinc/96/64/36/815966436.db2.gz KIRVSBJUDAEONN-IIAWOOMASA-N 1 3 335.452 -0.028 20 0 EBADHO CCN1CCN(CC(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)CC1 ZINC001271906124 816248606 /nfs/dbraw/zinc/24/86/06/816248606.db2.gz VPCJPLNMPTYTLA-DLBZAZTESA-N 1 3 337.512 -0.282 20 0 EBADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431923 816332875 /nfs/dbraw/zinc/33/28/75/816332875.db2.gz GZANVVRYXUFKOP-TUFXUSLLSA-N 1 3 336.436 -0.792 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001086995448 816439744 /nfs/dbraw/zinc/43/97/44/816439744.db2.gz CYOOLIYYJNUOLD-ARFHVFGLSA-N 1 3 337.468 -0.117 20 0 EBADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087828406 816563818 /nfs/dbraw/zinc/56/38/18/816563818.db2.gz KEASHDPHEPZRMV-SOUVJXGZSA-N 1 3 337.468 -0.068 20 0 EBADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087828406 816563824 /nfs/dbraw/zinc/56/38/24/816563824.db2.gz KEASHDPHEPZRMV-SOUVJXGZSA-N 1 3 337.468 -0.068 20 0 EBADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](O)C1)C2 ZINC001273068666 816577159 /nfs/dbraw/zinc/57/71/59/816577159.db2.gz BABJQEKPGZGFQT-AEFFLSMTSA-N 1 3 338.496 -0.071 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCCS(C)(=O)=O)C1)[NH+](C)C ZINC001273275281 816627482 /nfs/dbraw/zinc/62/74/82/816627482.db2.gz CAYVKVIOQZLKHH-KBPBESRZSA-N 1 3 349.497 -0.566 20 0 EBADHO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1)N1CCCC1 ZINC001273302007 816637239 /nfs/dbraw/zinc/63/72/39/816637239.db2.gz ZENKWNACNSBWRK-HNNXBMFYSA-N 1 3 343.468 -0.313 20 0 EBADHO CCN(CCNCCN(C)S(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273752822 816749909 /nfs/dbraw/zinc/74/99/09/816749909.db2.gz LMORIXZPWTZOQN-ZDUSSCGKSA-N 1 3 334.486 -0.732 20 0 EBADHO CCN(CCNCCN(C)S(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273752822 816749913 /nfs/dbraw/zinc/74/99/13/816749913.db2.gz LMORIXZPWTZOQN-ZDUSSCGKSA-N 1 3 334.486 -0.732 20 0 EBADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@@H]3COCCO3)C2)OCC1=O ZINC001273773092 816755844 /nfs/dbraw/zinc/75/58/44/816755844.db2.gz BVBVEMJHRYTKMD-GDBMZVCRSA-N 1 3 327.425 -0.733 20 0 EBADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1COCCO1)C2 ZINC001273773618 816756283 /nfs/dbraw/zinc/75/62/83/816756283.db2.gz HQBNSJHVNHSIGL-WBVHZDCISA-N 1 3 341.452 -0.486 20 0 EBADHO CNC(=O)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894463 816935102 /nfs/dbraw/zinc/93/51/02/816935102.db2.gz UZFDVVNQZFGADC-FZKCQIBNSA-N 1 3 346.475 -0.003 20 0 EBADHO CNC(=O)NC(=O)CNC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518963 816989285 /nfs/dbraw/zinc/98/92/85/816989285.db2.gz MEISWDGGPWQBTN-YBJDMEARSA-N 1 3 327.429 -0.710 20 0 EBADHO CC[NH+](CC)C[C@H](O)CN1CC2(C1)COCC(=O)N2CCN(C)C ZINC001274655448 817060879 /nfs/dbraw/zinc/06/08/79/817060879.db2.gz KMILPMLTRPBHPC-HNNXBMFYSA-N 1 3 342.484 -0.836 20 0 EBADHO CCS(=O)(=O)NCCNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001275156605 817157980 /nfs/dbraw/zinc/15/79/80/817157980.db2.gz GLLBZTKGGAGHAH-JSGCOSHPSA-N 1 3 346.497 -0.638 20 0 EBADHO O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356025 817297881 /nfs/dbraw/zinc/29/78/81/817297881.db2.gz TWVPFEMABKYNGS-CABCVRRESA-N 1 3 325.453 -0.204 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001277778011 817635167 /nfs/dbraw/zinc/63/51/67/817635167.db2.gz YUAXAMOZLLPCOQ-KGLIPLIRSA-N 1 3 348.513 -0.154 20 0 EBADHO CN(CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)S(C)(=O)=O ZINC001277997915 817671137 /nfs/dbraw/zinc/67/11/37/817671137.db2.gz VVIPTQZTLSPWDE-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO Cn1nccc1CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729804 817704993 /nfs/dbraw/zinc/70/49/93/817704993.db2.gz AFKLFVKDWGLYJR-JKSUJKDBSA-N 1 3 347.463 -0.390 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001278582731 817783117 /nfs/dbraw/zinc/78/31/17/817783117.db2.gz OWZILTPPUFPOJS-DYVFJYSZSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001283150665 818677870 /nfs/dbraw/zinc/67/78/70/818677870.db2.gz NPCSGFFUVPEMSE-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001283335964 818762561 /nfs/dbraw/zinc/76/25/61/818762561.db2.gz QFOXLPFFXDQDSS-KGLIPLIRSA-N 1 3 326.441 -0.624 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553568 818854130 /nfs/dbraw/zinc/85/41/30/818854130.db2.gz NTBFAPXPDKXKCI-KBPBESRZSA-N 1 3 338.452 -0.040 20 0 EBADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001283875034 819012203 /nfs/dbraw/zinc/01/22/03/819012203.db2.gz KCHKEKBRWGBSSG-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)N(C)C ZINC001284336814 819188477 /nfs/dbraw/zinc/18/84/77/819188477.db2.gz VSAIUEPCTJLWIK-OLZOCXBDSA-N 1 3 348.513 -0.298 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098450028 819195813 /nfs/dbraw/zinc/19/58/13/819195813.db2.gz ZYONESLODSZYNY-MRXNPFEDSA-N 1 3 343.468 -0.625 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098450028 819195818 /nfs/dbraw/zinc/19/58/18/819195818.db2.gz ZYONESLODSZYNY-MRXNPFEDSA-N 1 3 343.468 -0.625 20 0 EBADHO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001098477589 819208228 /nfs/dbraw/zinc/20/82/28/819208228.db2.gz AVVZSQMVELMXDS-HUUCEWRRSA-N 1 3 327.469 -0.006 20 0 EBADHO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001098477589 819208235 /nfs/dbraw/zinc/20/82/35/819208235.db2.gz AVVZSQMVELMXDS-HUUCEWRRSA-N 1 3 327.469 -0.006 20 0 EBADHO COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488400 819213724 /nfs/dbraw/zinc/21/37/24/819213724.db2.gz VLTXBWZAMGXMMI-OAHLLOKOSA-N 1 3 340.424 -0.755 20 0 EBADHO COC[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488400 819213725 /nfs/dbraw/zinc/21/37/25/819213725.db2.gz VLTXBWZAMGXMMI-OAHLLOKOSA-N 1 3 340.424 -0.755 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001284877060 819386582 /nfs/dbraw/zinc/38/65/82/819386582.db2.gz SNIXTKFWKNJKIO-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO CN(CCOCCNCC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001284877060 819386586 /nfs/dbraw/zinc/38/65/86/819386586.db2.gz SNIXTKFWKNJKIO-ZIAGYGMSSA-N 1 3 326.441 -0.447 20 0 EBADHO Cn1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cc1=O ZINC001099987026 819993634 /nfs/dbraw/zinc/99/36/34/819993634.db2.gz SOSOJOMLEJQKJX-HUUCEWRRSA-N 1 3 336.436 -0.612 20 0 EBADHO COCCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050675 820126056 /nfs/dbraw/zinc/12/60/56/820126056.db2.gz LGERPNZMUHODKH-GJZGRUSLSA-N 1 3 329.441 -0.705 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100442796 820423591 /nfs/dbraw/zinc/42/35/91/820423591.db2.gz WQVGLMJEVGEEBW-YMAMQOFZSA-N 1 3 342.484 -0.036 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100459958 820429506 /nfs/dbraw/zinc/42/95/06/820429506.db2.gz HTJXBLMSRJHCOE-UHFFFAOYSA-N 1 3 341.456 -0.343 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001100770348 820547059 /nfs/dbraw/zinc/54/70/59/820547059.db2.gz CHIYKBYKLYOFLI-HIFPTAJRSA-N 1 3 341.456 -0.343 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001100901794 820594114 /nfs/dbraw/zinc/59/41/14/820594114.db2.gz OTCORMVQEDHZAV-UHFFFAOYSA-N 1 3 348.513 -0.296 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101035926 820660209 /nfs/dbraw/zinc/66/02/09/820660209.db2.gz FCCWNWROULKTCN-UHFFFAOYSA-N 1 3 348.513 -0.250 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039693 820661559 /nfs/dbraw/zinc/66/15/59/820661559.db2.gz YRUBILQNYBUPKM-UHFFFAOYSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511452 821135090 /nfs/dbraw/zinc/13/50/90/821135090.db2.gz XWCUCRWNFUFYPQ-HUUCEWRRSA-N 1 3 342.484 -0.227 20 0 EBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103756070 821350240 /nfs/dbraw/zinc/35/02/40/821350240.db2.gz WOIGOHGMIXGKRJ-CHWSQXEVSA-N 1 3 341.456 -0.404 20 0 EBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103756070 821350247 /nfs/dbraw/zinc/35/02/47/821350247.db2.gz WOIGOHGMIXGKRJ-CHWSQXEVSA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001103999744 821385603 /nfs/dbraw/zinc/38/56/03/821385603.db2.gz JYTOTIZAYSPNLB-UPJWGTAASA-N 1 3 339.440 -0.650 20 0 EBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCO ZINC001104433640 821498152 /nfs/dbraw/zinc/49/81/52/821498152.db2.gz PITSRCVTDYFHNL-HCBPCCMXSA-N 1 3 337.464 -0.084 20 0 EBADHO CC(C)N(C)CC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105486939 821761198 /nfs/dbraw/zinc/76/11/98/821761198.db2.gz HCKOSCGPOSUKRN-UHFFFAOYSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001317111401 822006388 /nfs/dbraw/zinc/00/63/88/822006388.db2.gz BSEIYJYNNJUKRT-XQQFMLRXSA-N 1 3 334.486 -0.641 20 0 EBADHO CCNCc1nnc2n1CC[C@H](NC(=O)COCC[NH+](C)C)CC2 ZINC001128058468 828404961 /nfs/dbraw/zinc/40/49/61/828404961.db2.gz DSJNGGAQIFYOHI-CYBMUJFWSA-N 1 3 338.456 -0.213 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001106877931 822347033 /nfs/dbraw/zinc/34/70/33/822347033.db2.gz CZHRFYPYHATQRF-ZIAGYGMSSA-N 1 3 338.456 -0.423 20 0 EBADHO CN1CC[NH+](CCCCNC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC001318699986 822353202 /nfs/dbraw/zinc/35/32/02/822353202.db2.gz GUUBWKMJZBHQTP-INIZCTEOSA-N 1 3 340.516 -0.441 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001128773799 828524623 /nfs/dbraw/zinc/52/46/23/828524623.db2.gz DYEBEICPXDXRHE-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001128773799 828524625 /nfs/dbraw/zinc/52/46/25/828524625.db2.gz DYEBEICPXDXRHE-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128774169 828524794 /nfs/dbraw/zinc/52/47/94/828524794.db2.gz NINKOIZMYVMDDS-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128774169 828524795 /nfs/dbraw/zinc/52/47/95/828524795.db2.gz NINKOIZMYVMDDS-ZDUSSCGKSA-N 1 3 341.456 -0.198 20 0 EBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364155 828605604 /nfs/dbraw/zinc/60/56/04/828605604.db2.gz QEIATCUVWJPUJL-HNNXBMFYSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364155 828605607 /nfs/dbraw/zinc/60/56/07/828605607.db2.gz QEIATCUVWJPUJL-HNNXBMFYSA-N 1 3 340.468 -0.140 20 0 EBADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364115 828605632 /nfs/dbraw/zinc/60/56/32/828605632.db2.gz PJAIEMHDDBKSSN-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC001129364115 828605634 /nfs/dbraw/zinc/60/56/34/828605634.db2.gz PJAIEMHDDBKSSN-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421689 828615849 /nfs/dbraw/zinc/61/58/49/828615849.db2.gz BQSBYVAILMJSPN-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421689 828615855 /nfs/dbraw/zinc/61/58/55/828615855.db2.gz BQSBYVAILMJSPN-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535266 828632255 /nfs/dbraw/zinc/63/22/55/828632255.db2.gz MZVNLTDSVAFXHA-UHFFFAOYSA-N 1 3 334.486 -0.542 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129526310 828630728 /nfs/dbraw/zinc/63/07/28/828630728.db2.gz AOAJVTMCCUBUBL-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769552 824433950 /nfs/dbraw/zinc/43/39/50/824433950.db2.gz VFFZUEOPOXGHGT-GVXVVHGQSA-N 1 3 348.407 -0.623 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001129841946 828680195 /nfs/dbraw/zinc/68/01/95/828680195.db2.gz RERPXECAIQQZPU-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001129841946 828680200 /nfs/dbraw/zinc/68/02/00/828680200.db2.gz RERPXECAIQQZPU-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856658 828682567 /nfs/dbraw/zinc/68/25/67/828682567.db2.gz VIPOTKHZNBPZAZ-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856658 828682569 /nfs/dbraw/zinc/68/25/69/828682569.db2.gz VIPOTKHZNBPZAZ-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910342 828692503 /nfs/dbraw/zinc/69/25/03/828692503.db2.gz OVKRCFQZCUCLFZ-KFWWJZLASA-N 1 3 338.456 -0.004 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001129953944 828700031 /nfs/dbraw/zinc/70/00/31/828700031.db2.gz VFOUEEAWXANPRX-LBPRGKRZSA-N 1 3 341.456 -0.391 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001129949465 828699630 /nfs/dbraw/zinc/69/96/30/828699630.db2.gz DXWSZCWTZCXXLW-ZDUSSCGKSA-N 1 3 327.429 -0.780 20 0 EBADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)N(C)C ZINC001129994507 828710322 /nfs/dbraw/zinc/71/03/22/828710322.db2.gz RUQIHMYTGBGUNM-QLFBSQMISA-N 1 3 338.456 -0.412 20 0 EBADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005950 828713766 /nfs/dbraw/zinc/71/37/66/828713766.db2.gz MVQNFBQUZVVQPS-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO CN(CCNCCNC(=O)C12CCC[NH+](CCC1)C2)S(C)(=O)=O ZINC001130171089 828744512 /nfs/dbraw/zinc/74/45/12/828744512.db2.gz GNFCYOWLNSLFEY-UHFFFAOYSA-N 1 3 346.497 -0.540 20 0 EBADHO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130201151 828754200 /nfs/dbraw/zinc/75/42/00/828754200.db2.gz WKRZIZDHZNEONI-UONOGXRCSA-N 1 3 330.473 -0.036 20 0 EBADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111862624 825331219 /nfs/dbraw/zinc/33/12/19/825331219.db2.gz VZOHCFJCVOOCLU-YOEHRIQHSA-N 1 3 337.468 -0.066 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001130421896 828828485 /nfs/dbraw/zinc/82/84/85/828828485.db2.gz NRRBKNFISQRNAC-GJZGRUSLSA-N 1 3 345.484 -0.021 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001179779754 833009948 /nfs/dbraw/zinc/00/99/48/833009948.db2.gz USIJSIDPDVCUEW-STQMWFEESA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001179929165 833025998 /nfs/dbraw/zinc/02/59/98/833025998.db2.gz FUVYLPVQHBNCTQ-STQMWFEESA-N 1 3 329.466 -0.294 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929233 833026641 /nfs/dbraw/zinc/02/66/41/833026641.db2.gz IFIWWCLZTOOULF-ZFWWWQNUSA-N 1 3 340.468 -0.236 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929224 833027059 /nfs/dbraw/zinc/02/70/59/833027059.db2.gz IABYTRPPZHCLDX-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929556 833027922 /nfs/dbraw/zinc/02/79/22/833027922.db2.gz PEOBKXOMDMEFNB-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114488699 826264330 /nfs/dbraw/zinc/26/43/30/826264330.db2.gz RNFNIRNHQOJUIJ-WDNDVIMCSA-N 1 3 337.468 -0.212 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114488699 826264332 /nfs/dbraw/zinc/26/43/32/826264332.db2.gz RNFNIRNHQOJUIJ-WDNDVIMCSA-N 1 3 337.468 -0.212 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131586 833045175 /nfs/dbraw/zinc/04/51/75/833045175.db2.gz HJZIUUWSYHDVFV-KBPBESRZSA-N 1 3 346.497 -0.400 20 0 EBADHO COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131775 833045498 /nfs/dbraw/zinc/04/54/98/833045498.db2.gz LCMUIBNGGHUPEC-XHSDSOJGSA-N 1 3 343.468 -0.315 20 0 EBADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115143353 826433084 /nfs/dbraw/zinc/43/30/84/826433084.db2.gz BGQMYHYDJGOSKK-RSUWNVLCSA-N 1 3 336.436 -0.430 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001115161954 826435860 /nfs/dbraw/zinc/43/58/60/826435860.db2.gz QGHJCBDYKHKVCF-AIANPOQGSA-N 1 3 343.468 -0.602 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001115161954 826435862 /nfs/dbraw/zinc/43/58/62/826435862.db2.gz QGHJCBDYKHKVCF-AIANPOQGSA-N 1 3 343.468 -0.602 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180223090 833058384 /nfs/dbraw/zinc/05/83/84/833058384.db2.gz ZVKXMNJQPWBYJQ-STQMWFEESA-N 1 3 341.456 -0.249 20 0 EBADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)CN1CCN(C)CC1 ZINC001118149232 826859993 /nfs/dbraw/zinc/85/99/93/826859993.db2.gz AIJYWJRYYNCOTB-DLBZAZTESA-N 1 3 327.517 -0.932 20 0 EBADHO C[C@H]1CN(CCCNC(=O)N2CCNCC[NH2+]CC2)C[C@H](C)O1 ZINC001120567178 827246612 /nfs/dbraw/zinc/24/66/12/827246612.db2.gz WZQJYDFYBRYFQH-GJZGRUSLSA-N 1 3 327.473 -0.310 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001181653289 833170408 /nfs/dbraw/zinc/17/04/08/833170408.db2.gz WPQCIINTONAIAB-QLFBSQMISA-N 1 3 338.452 -0.746 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652127 833170769 /nfs/dbraw/zinc/17/07/69/833170769.db2.gz JPZMPHGQLDRXCR-VXGBXAGGSA-N 1 3 325.413 -0.883 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001121996096 827499125 /nfs/dbraw/zinc/49/91/25/827499125.db2.gz CMGQSAWZOUPWAY-ZACQAIPSSA-N 1 3 337.512 -0.093 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182741988 833255004 /nfs/dbraw/zinc/25/50/04/833255004.db2.gz ZTDFGFLRMNXRIS-MEBBXXQBSA-N 1 3 336.396 -0.779 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001182963512 833270940 /nfs/dbraw/zinc/27/09/40/833270940.db2.gz CWUJKEXONFILBL-NEPJUHHUSA-N 1 3 345.419 -0.688 20 0 EBADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872552 827972835 /nfs/dbraw/zinc/97/28/35/827972835.db2.gz KFTUYXFUTYDKSC-NWDGAFQWSA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183648806 833298416 /nfs/dbraw/zinc/29/84/16/833298416.db2.gz ZNHBBIAWIVEWPE-NEPJUHHUSA-N 1 3 325.413 -0.883 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001183582068 833296146 /nfs/dbraw/zinc/29/61/46/833296146.db2.gz QZHCPLBJPFXMAG-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1)N(C)C ZINC001183582430 833296263 /nfs/dbraw/zinc/29/62/63/833296263.db2.gz ZGHOCLIGQLPAOY-QLFBSQMISA-N 1 3 331.457 -0.459 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647354 833297988 /nfs/dbraw/zinc/29/79/88/833297988.db2.gz FMIXIWZPVUSLEP-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256651 828269707 /nfs/dbraw/zinc/26/97/07/828269707.db2.gz QIOQWBULAUKQJR-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256651 828269715 /nfs/dbraw/zinc/26/97/15/828269715.db2.gz QIOQWBULAUKQJR-HUUCEWRRSA-N 1 3 340.468 -0.281 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCCO1 ZINC001127474498 828297460 /nfs/dbraw/zinc/29/74/60/828297460.db2.gz MTTAOMKPEPWTFD-GJZGRUSLSA-N 1 3 338.452 -0.671 20 0 EBADHO CCN1CC[C@H](NCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127563016 828304273 /nfs/dbraw/zinc/30/42/73/828304273.db2.gz SJVFSOULKNCXCE-AWEZNQCLSA-N 1 3 336.440 -0.615 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778456 828326020 /nfs/dbraw/zinc/32/60/20/828326020.db2.gz FJTDCHCLACHEER-CHWSQXEVSA-N 1 3 326.441 -0.530 20 0 EBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778456 828326030 /nfs/dbraw/zinc/32/60/30/828326030.db2.gz FJTDCHCLACHEER-CHWSQXEVSA-N 1 3 326.441 -0.530 20 0 EBADHO C[C@@H](NCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)NC(N)=O ZINC001130622306 828902008 /nfs/dbraw/zinc/90/20/08/828902008.db2.gz CELINNCWLOZTAY-LLVKDONJSA-N 1 3 341.456 -0.071 20 0 EBADHO C[C@@H](NCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(=O)NC(N)=O ZINC001130622306 828902015 /nfs/dbraw/zinc/90/20/15/828902015.db2.gz CELINNCWLOZTAY-LLVKDONJSA-N 1 3 341.456 -0.071 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001184876541 833342483 /nfs/dbraw/zinc/34/24/83/833342483.db2.gz JOOXVOIDOZJOMG-RRFJBIMHSA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001185158656 833348325 /nfs/dbraw/zinc/34/83/25/833348325.db2.gz TYXAXPRKHYEJAB-SDDRHHMPSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001185158656 833348327 /nfs/dbraw/zinc/34/83/27/833348327.db2.gz TYXAXPRKHYEJAB-SDDRHHMPSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185203729 833349798 /nfs/dbraw/zinc/34/97/98/833349798.db2.gz GOBIEFSNCKOWHW-MNOVXSKESA-N 1 3 336.396 -0.779 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185238825 833351095 /nfs/dbraw/zinc/35/10/95/833351095.db2.gz TZIINYLDKYHBJE-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(=O)NC1CC1 ZINC001185401246 833357888 /nfs/dbraw/zinc/35/78/88/833357888.db2.gz NTIIFJDQBTXYTQ-DGCLKSJQSA-N 1 3 339.440 -0.495 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001185401543 833357957 /nfs/dbraw/zinc/35/79/57/833357957.db2.gz SAHPFCIUUOJBNQ-ZIAGYGMSSA-N 1 3 326.441 -0.719 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)N(C)C ZINC001185716423 833367864 /nfs/dbraw/zinc/36/78/64/833367864.db2.gz XJVOJNAVWAHKPR-OLZOCXBDSA-N 1 3 334.486 -0.544 20 0 EBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519898 829152753 /nfs/dbraw/zinc/15/27/53/829152753.db2.gz NBAKFZZQWPCQLR-SMOJQAGNSA-N 1 3 338.452 -0.530 20 0 EBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519898 829152755 /nfs/dbraw/zinc/15/27/55/829152755.db2.gz NBAKFZZQWPCQLR-SMOJQAGNSA-N 1 3 338.452 -0.530 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)CC(C)(C)C ZINC001185730758 833368671 /nfs/dbraw/zinc/36/86/71/833368671.db2.gz GHBLFMCMTWVPDE-CYBMUJFWSA-N 1 3 348.513 -0.296 20 0 EBADHO COCCN1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692496 829187246 /nfs/dbraw/zinc/18/72/46/829187246.db2.gz HSNKBBZLFFVUQC-DOTOQJQBSA-N 1 3 343.468 -0.097 20 0 EBADHO C[NH+](C)C1(CC(=O)NCCNCC(=O)N2CCOCC2)CCCC1 ZINC001131836815 829239072 /nfs/dbraw/zinc/23/90/72/829239072.db2.gz BSIXZUYZNOZOJY-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001186082657 833388047 /nfs/dbraw/zinc/38/80/47/833388047.db2.gz MQAWSQBPJSJNBE-GFCCVEGCSA-N 1 3 325.413 -0.896 20 0 EBADHO C[C@@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001186090785 833388575 /nfs/dbraw/zinc/38/85/75/833388575.db2.gz QBBNHDLQNOLIQG-DGCLKSJQSA-N 1 3 339.440 -0.508 20 0 EBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234538 833393189 /nfs/dbraw/zinc/39/31/89/833393189.db2.gz JKEGTDYABCNUKO-CQSZACIVSA-N 1 3 336.440 -0.663 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995178 829568564 /nfs/dbraw/zinc/56/85/64/829568564.db2.gz NGUDCLVTINCDQJ-UHFFFAOYSA-N 1 3 341.456 -0.484 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CCC[NH+](C)C)C[C@H](C)O1 ZINC001133051651 829577506 /nfs/dbraw/zinc/57/75/06/829577506.db2.gz JWAIMYQBBBNAEG-OKILXGFUSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001133051844 829578934 /nfs/dbraw/zinc/57/89/34/829578934.db2.gz RJGOBZLGTBMTKG-UONOGXRCSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133135826 829591094 /nfs/dbraw/zinc/59/10/94/829591094.db2.gz XSODDOLMAIYXMS-MNOVXSKESA-N 1 3 336.396 -0.779 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133281897 829615233 /nfs/dbraw/zinc/61/52/33/829615233.db2.gz SAKXKTZPVOZHKZ-UHFFFAOYSA-N 1 3 341.456 -0.484 20 0 EBADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(=O)NC1CC1 ZINC001133286115 829616102 /nfs/dbraw/zinc/61/61/02/829616102.db2.gz XXTRYOOLBMYOLW-LLVKDONJSA-N 1 3 339.440 -0.589 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001186817615 833430781 /nfs/dbraw/zinc/43/07/81/833430781.db2.gz ZWIHRYNJHVEKAY-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001186817615 833430784 /nfs/dbraw/zinc/43/07/84/833430784.db2.gz ZWIHRYNJHVEKAY-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001133415749 829630350 /nfs/dbraw/zinc/63/03/50/829630350.db2.gz MSQDIYOWODJXRM-DZGCQCFKSA-N 1 3 328.457 -0.426 20 0 EBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)N(C)C ZINC001133434376 829631407 /nfs/dbraw/zinc/63/14/07/829631407.db2.gz OLELIMMJCLITGR-GOEBONIOSA-N 1 3 345.484 -0.165 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001133823881 829679677 /nfs/dbraw/zinc/67/96/77/829679677.db2.gz ROCXTBNKFCTBLX-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001133823881 829679681 /nfs/dbraw/zinc/67/96/81/829679681.db2.gz ROCXTBNKFCTBLX-KGLIPLIRSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133834391 829681906 /nfs/dbraw/zinc/68/19/06/829681906.db2.gz WAMUDJUWESTNAC-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850686 829686652 /nfs/dbraw/zinc/68/66/52/829686652.db2.gz QAHQHNUCAXALIG-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850686 829686655 /nfs/dbraw/zinc/68/66/55/829686655.db2.gz QAHQHNUCAXALIG-KGLIPLIRSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001133856643 829688584 /nfs/dbraw/zinc/68/85/84/829688584.db2.gz MQODBMPMLMQPOT-BZNIZROVSA-N 1 3 342.415 -0.290 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001133856643 829688588 /nfs/dbraw/zinc/68/85/88/829688588.db2.gz MQODBMPMLMQPOT-BZNIZROVSA-N 1 3 342.415 -0.290 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868134 829691284 /nfs/dbraw/zinc/69/12/84/829691284.db2.gz ZPTPWQWLAAECPS-JSGCOSHPSA-N 1 3 326.441 -0.815 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133868134 829691290 /nfs/dbraw/zinc/69/12/90/829691290.db2.gz ZPTPWQWLAAECPS-JSGCOSHPSA-N 1 3 326.441 -0.815 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908625 829697458 /nfs/dbraw/zinc/69/74/58/829697458.db2.gz ZSGDAYGQFRTYJV-UHFFFAOYSA-N 1 3 336.502 -0.391 20 0 EBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)N(C)C ZINC001133966025 829707912 /nfs/dbraw/zinc/70/79/12/829707912.db2.gz UGOZSZLBWOKZJG-QWRGUYRKSA-N 1 3 329.363 -0.028 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001134762964 829842014 /nfs/dbraw/zinc/84/20/14/829842014.db2.gz IXYUAJVOXCWGFC-AWEZNQCLSA-N 1 3 348.513 -0.154 20 0 EBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001134762964 829842019 /nfs/dbraw/zinc/84/20/19/829842019.db2.gz IXYUAJVOXCWGFC-AWEZNQCLSA-N 1 3 348.513 -0.154 20 0 EBADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774267 829844017 /nfs/dbraw/zinc/84/40/17/829844017.db2.gz WZQRUOSPZSEUSW-GHMZBOCLSA-N 1 3 329.445 -0.216 20 0 EBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC[C@@H]2CCOC2)CC1 ZINC001134782491 829844867 /nfs/dbraw/zinc/84/48/67/829844867.db2.gz HWDYQMGABRKYII-HNNXBMFYSA-N 1 3 340.468 -0.423 20 0 EBADHO CC[C@H](C)NC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114826 829900211 /nfs/dbraw/zinc/90/02/11/829900211.db2.gz PHLBYKGHYGKWQU-ZDUSSCGKSA-N 1 3 338.456 -0.321 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337324 829948149 /nfs/dbraw/zinc/94/81/49/829948149.db2.gz ZXGBQXUPKGYCBI-GFCCVEGCSA-N 1 3 349.435 -0.088 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)NC(=O)NC)C(C)C ZINC001135478251 829974820 /nfs/dbraw/zinc/97/48/20/829974820.db2.gz YPJYNHSQLKQPRQ-ZDUSSCGKSA-N 1 3 329.445 -0.486 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001135513649 829979540 /nfs/dbraw/zinc/97/95/40/829979540.db2.gz SYMXAMJOPJFOAE-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@H](NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135963572 830053111 /nfs/dbraw/zinc/05/31/11/830053111.db2.gz USMFURVSHPAPLE-ZDUSSCGKSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)N1CC[C@@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135963514 830053497 /nfs/dbraw/zinc/05/34/97/830053497.db2.gz QYAIBQANRBOUHX-OAHLLOKOSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001211286054 837421196 /nfs/dbraw/zinc/42/11/96/837421196.db2.gz SFZIXZPQYWDIMY-RYUDHWBXSA-N 1 3 327.429 -0.509 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001146710650 830221865 /nfs/dbraw/zinc/22/18/65/830221865.db2.gz KOYYANCAXJQMDP-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001146710650 830221872 /nfs/dbraw/zinc/22/18/72/830221872.db2.gz KOYYANCAXJQMDP-KBPBESRZSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001146710654 830221902 /nfs/dbraw/zinc/22/19/02/830221902.db2.gz KOYYANCAXJQMDP-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001146710654 830221910 /nfs/dbraw/zinc/22/19/10/830221910.db2.gz KOYYANCAXJQMDP-KGLIPLIRSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001146719968 830223519 /nfs/dbraw/zinc/22/35/19/830223519.db2.gz YQFMOPJCFCNSMZ-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001146719968 830223528 /nfs/dbraw/zinc/22/35/28/830223528.db2.gz YQFMOPJCFCNSMZ-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001147359309 830326045 /nfs/dbraw/zinc/32/60/45/830326045.db2.gz NYECSLVIXBAPBX-AWEZNQCLSA-N 1 3 348.513 -0.104 20 0 EBADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001147359309 830326048 /nfs/dbraw/zinc/32/60/48/830326048.db2.gz NYECSLVIXBAPBX-AWEZNQCLSA-N 1 3 348.513 -0.104 20 0 EBADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001147826617 830416499 /nfs/dbraw/zinc/41/64/99/830416499.db2.gz YYMNVGBZZLMVNG-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)N1CCCCC1 ZINC001147893815 830427502 /nfs/dbraw/zinc/42/75/02/830427502.db2.gz UOTPZZRSZQEPSW-AWEZNQCLSA-N 1 3 328.457 -0.329 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291699 830465132 /nfs/dbraw/zinc/46/51/32/830465132.db2.gz BBOUMYDENRDYQY-LSDHHAIUSA-N 1 3 325.453 -0.273 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148291699 830465136 /nfs/dbraw/zinc/46/51/36/830465136.db2.gz BBOUMYDENRDYQY-LSDHHAIUSA-N 1 3 325.453 -0.273 20 0 EBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881605 830774135 /nfs/dbraw/zinc/77/41/35/830774135.db2.gz PILSDJJARFWVTQ-PMPSAXMXSA-N 1 3 345.484 -0.213 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193757 830834151 /nfs/dbraw/zinc/83/41/51/830834151.db2.gz OSAQLGRDQRGGGA-LSDHHAIUSA-N 1 3 343.468 -0.457 20 0 EBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291866 830858017 /nfs/dbraw/zinc/85/80/17/830858017.db2.gz PILSDJJARFWVTQ-BZUAXINKSA-N 1 3 345.484 -0.213 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001150350775 830871552 /nfs/dbraw/zinc/87/15/52/830871552.db2.gz OHPCEENIWBOSNC-ILXRZTDVSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCCO1)N(C)C ZINC001150350775 830871554 /nfs/dbraw/zinc/87/15/54/830871554.db2.gz OHPCEENIWBOSNC-ILXRZTDVSA-N 1 3 331.457 -0.459 20 0 EBADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508049 830919283 /nfs/dbraw/zinc/91/92/83/830919283.db2.gz NJYJVKJUFIIZRY-HOCLYGCPSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001151160615 831036153 /nfs/dbraw/zinc/03/61/53/831036153.db2.gz WUUPSCQUIUFGHC-GFCCVEGCSA-N 1 3 339.396 -0.713 20 0 EBADHO CN(CCNCCNC(=O)CCC[NH+]1CCCCC1)S(C)(=O)=O ZINC001151361680 831060691 /nfs/dbraw/zinc/06/06/91/831060691.db2.gz NBSOTEGQXYYGOV-UHFFFAOYSA-N 1 3 348.513 -0.150 20 0 EBADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)c1 ZINC001152246257 831144658 /nfs/dbraw/zinc/14/46/58/831144658.db2.gz WBWVUGOMGPHTSL-UHFFFAOYSA-N 1 3 342.465 -0.383 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152339782 831154146 /nfs/dbraw/zinc/15/41/46/831154146.db2.gz BFKPJOGZBZUJHR-UHFFFAOYSA-N 1 3 328.457 -0.279 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001152348956 831154174 /nfs/dbraw/zinc/15/41/74/831154174.db2.gz UEAXNXNXFJZFHH-HNNXBMFYSA-N 1 3 340.468 -0.279 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001152427351 831162103 /nfs/dbraw/zinc/16/21/03/831162103.db2.gz WREXLMJJCZAAAD-CYBMUJFWSA-N 1 3 334.486 -0.686 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001152457446 831164569 /nfs/dbraw/zinc/16/45/69/831164569.db2.gz FABUQXNXWMWNON-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152464548 831165315 /nfs/dbraw/zinc/16/53/15/831165315.db2.gz VXBFMUBLALXDNJ-CQSZACIVSA-N 1 3 348.513 -0.248 20 0 EBADHO C[C@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001153309314 831222514 /nfs/dbraw/zinc/22/25/14/831222514.db2.gz LVAPGTWSWNOOQB-LBPRGKRZSA-N 1 3 327.429 -0.458 20 0 EBADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O)N(C)C ZINC001154001355 831298528 /nfs/dbraw/zinc/29/85/28/831298528.db2.gz UJVBCQGJVQQPNT-CHWSQXEVSA-N 1 3 341.456 -0.295 20 0 EBADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCN1C(=O)CNC1=O)N(C)C ZINC001154001355 831298532 /nfs/dbraw/zinc/29/85/32/831298532.db2.gz UJVBCQGJVQQPNT-CHWSQXEVSA-N 1 3 341.456 -0.295 20 0 EBADHO CCOC(=O)c1c(CN)ncn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001155078479 831384588 /nfs/dbraw/zinc/38/45/88/831384588.db2.gz QBXGBWIIEBZBKT-UHFFFAOYSA-N 1 3 331.380 -0.293 20 0 EBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001157324545 831554604 /nfs/dbraw/zinc/55/46/04/831554604.db2.gz ZWUAAKYTJZFKMR-WWGRRREGSA-N 1 3 326.441 -0.495 20 0 EBADHO N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369783 831561331 /nfs/dbraw/zinc/56/13/31/831561331.db2.gz WNXJJPSKLZWBJW-KGLIPLIRSA-N 1 3 336.440 -0.484 20 0 EBADHO COc1cccc([C@H](N)CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c1 ZINC001158100981 831628021 /nfs/dbraw/zinc/62/80/21/831628021.db2.gz FAEOAHIPWPNATL-RHSMWYFYSA-N 1 3 332.404 -0.224 20 0 EBADHO O=C(c1[nH]nc2c1CNC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158284996 831643604 /nfs/dbraw/zinc/64/36/04/831643604.db2.gz HJHRZOWUHSXCEU-UHFFFAOYSA-N 1 3 328.380 -0.661 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001158420422 831653342 /nfs/dbraw/zinc/65/33/42/831653342.db2.gz BZQZIWWXULOMGQ-CHWSQXEVSA-N 1 3 334.424 -0.149 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001158420422 831653345 /nfs/dbraw/zinc/65/33/45/831653345.db2.gz BZQZIWWXULOMGQ-CHWSQXEVSA-N 1 3 334.424 -0.149 20 0 EBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CNCc2ccnn2C1 ZINC001158496559 831661249 /nfs/dbraw/zinc/66/12/49/831661249.db2.gz SFMWFDODGGBVMG-NZBPQXDJSA-N 1 3 347.419 -0.646 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1=O ZINC001158547818 831664492 /nfs/dbraw/zinc/66/44/92/831664492.db2.gz PIVFGMGFTJOFCG-QDEZUTFSSA-N 1 3 336.436 -0.694 20 0 EBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001158791667 831686339 /nfs/dbraw/zinc/68/63/39/831686339.db2.gz ZGWRBBBDHNBDMO-VXGBXAGGSA-N 1 3 334.424 -0.821 20 0 EBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001158790370 831686723 /nfs/dbraw/zinc/68/67/23/831686723.db2.gz LLEMJNYIVHYKQQ-OCCSQVGLSA-N 1 3 336.440 -0.303 20 0 EBADHO Cn1nnc2c1CCN(C(=O)C1(N)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125628 831710096 /nfs/dbraw/zinc/71/00/96/831710096.db2.gz XAGFPQTVVNKTES-AWEZNQCLSA-N 1 3 348.451 -0.155 20 0 EBADHO [NH3+]CCCNCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668020 831772047 /nfs/dbraw/zinc/77/20/47/831772047.db2.gz WJHAWMSHUZWDJW-IRXDYDNUSA-N 1 3 347.463 -0.178 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159800765 831783868 /nfs/dbraw/zinc/78/38/68/831783868.db2.gz YBURZUUCELGJCR-UONOGXRCSA-N 1 3 331.424 -0.196 20 0 EBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854641 831788886 /nfs/dbraw/zinc/78/88/86/831788886.db2.gz PGFODSZIZJZASL-HUUCEWRRSA-N 1 3 345.484 -0.021 20 0 EBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854640 831789085 /nfs/dbraw/zinc/78/90/85/831789085.db2.gz PGFODSZIZJZASL-GJZGRUSLSA-N 1 3 345.484 -0.021 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915793 831796370 /nfs/dbraw/zinc/79/63/70/831796370.db2.gz NWVDDUWMANAKNG-AWEZNQCLSA-N 1 3 341.456 -0.342 20 0 EBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914552 831796421 /nfs/dbraw/zinc/79/64/21/831796421.db2.gz DVRMNTIONCEBIV-OAHLLOKOSA-N 1 3 328.457 -0.425 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932458 831798964 /nfs/dbraw/zinc/79/89/64/831798964.db2.gz RSFGBLKCZXLPFT-JQWIXIFHSA-N 1 3 327.429 -0.733 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931498 831799049 /nfs/dbraw/zinc/79/90/49/831799049.db2.gz DZVLNXDSRUZTNR-HIFRSBDPSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)CCO1 ZINC001159931817 831799130 /nfs/dbraw/zinc/79/91/30/831799130.db2.gz JIBWKSBNRWWAMG-CZUORRHYSA-N 1 3 340.468 -0.330 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997042 831803107 /nfs/dbraw/zinc/80/31/07/831803107.db2.gz COSRVSHKEUTHEA-UHFFFAOYSA-N 1 3 328.457 -0.281 20 0 EBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)CSCC[NH3+])CCO2 ZINC001160180423 831822854 /nfs/dbraw/zinc/82/28/54/831822854.db2.gz SPOMXALXVBKCTG-ZFWWWQNUSA-N 1 3 344.481 -0.755 20 0 EBADHO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]3C2=O)cn1 ZINC001160217244 831826407 /nfs/dbraw/zinc/82/64/07/831826407.db2.gz LYFOQMSKODIPHP-UBHSHLNASA-N 1 3 334.424 -0.702 20 0 EBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)CCCC[NH3+])CCC2 ZINC001160322622 831836743 /nfs/dbraw/zinc/83/67/43/831836743.db2.gz FGKCVKMBBYFYAJ-ZDUSSCGKSA-N 1 3 336.440 -0.292 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001160427824 831848752 /nfs/dbraw/zinc/84/87/52/831848752.db2.gz UXYSLRCKAPYRLP-ZDUSSCGKSA-N 1 3 327.429 -0.780 20 0 EBADHO CC[NH+](CC)C1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001160482798 831854958 /nfs/dbraw/zinc/85/49/58/831854958.db2.gz NBTQPYZKULBURW-AAEUAGOBSA-N 1 3 341.456 -0.973 20 0 EBADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160494942 831857059 /nfs/dbraw/zinc/85/70/59/831857059.db2.gz VWICYHBPWUYLGV-ATZCPNFKSA-N 1 3 333.410 -0.941 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160504838 831857522 /nfs/dbraw/zinc/85/75/22/831857522.db2.gz AOROCHPNEJYHMI-UONOGXRCSA-N 1 3 326.441 -0.317 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779497 831885970 /nfs/dbraw/zinc/88/59/70/831885970.db2.gz IBASVHIDDMTZKK-RKVPGOIHSA-N 1 3 345.447 -0.238 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)c3[nH]nc4c3CNC4)C[C@H]1C[NH2+]CC2 ZINC001160818978 831890445 /nfs/dbraw/zinc/89/04/45/831890445.db2.gz CGVPOQRVPDZSLO-QLJPJBMISA-N 1 3 333.392 -0.372 20 0 EBADHO Nc1cccnc1N1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160825606 831892130 /nfs/dbraw/zinc/89/21/30/831892130.db2.gz FMSJCZRBLZGRRE-OAHLLOKOSA-N 1 3 347.467 -0.937 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCn2nncc2C1 ZINC001160831800 831892230 /nfs/dbraw/zinc/89/22/30/831892230.db2.gz DHUYZBLAAHDDMA-KBPBESRZSA-N 1 3 349.439 -0.932 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)N(C)C ZINC001160883883 831903069 /nfs/dbraw/zinc/90/30/69/831903069.db2.gz XUUOOOSJAMKFTD-SNVBAGLBSA-N 1 3 328.442 -0.087 20 0 EBADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161093458 831923219 /nfs/dbraw/zinc/92/32/19/831923219.db2.gz OOPJPTBFYURILL-OLZOCXBDSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161093458 831923222 /nfs/dbraw/zinc/92/32/22/831923222.db2.gz OOPJPTBFYURILL-OLZOCXBDSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)CN(CCC[NH3+])C(=O)CN1CCCC[C@H](N)C1=O ZINC001161158277 831933834 /nfs/dbraw/zinc/93/38/34/831933834.db2.gz SOBKTONKIONBKV-LBPRGKRZSA-N 1 3 328.413 -0.933 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001161226411 831938677 /nfs/dbraw/zinc/93/86/77/831938677.db2.gz GXXHASBZSVBTHY-UHFFFAOYSA-N 1 3 336.502 -0.248 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001161251296 831941592 /nfs/dbraw/zinc/94/15/92/831941592.db2.gz MYMIFWIOYRXEPJ-UHFFFAOYSA-N 1 3 341.456 -0.199 20 0 EBADHO O=C([C@@H]1COC2(CNC2)CN1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161270731 831943986 /nfs/dbraw/zinc/94/39/86/831943986.db2.gz RARZSRSURMFXEP-HOTGVXAUSA-N 1 3 345.447 -0.507 20 0 EBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)nc1 ZINC001161298202 831945502 /nfs/dbraw/zinc/94/55/02/831945502.db2.gz ILMXPAGCVKKLAJ-WCQYABFASA-N 1 3 333.392 -0.726 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381110 831951323 /nfs/dbraw/zinc/95/13/23/831951323.db2.gz MOOKBSIQMWKEEV-CVEARBPZSA-N 1 3 339.484 -0.356 20 0 EBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161450062 831958616 /nfs/dbraw/zinc/95/86/16/831958616.db2.gz ZJBYWWPOTQIDCH-KJWHEZOQSA-N 1 3 340.468 -0.740 20 0 EBADHO C[C@@H](NC(=O)CNCCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001165378248 832218408 /nfs/dbraw/zinc/21/84/08/832218408.db2.gz JFMVMSZGOIJQOC-CYBMUJFWSA-N 1 3 343.472 -0.983 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004527 832245848 /nfs/dbraw/zinc/24/58/48/832245848.db2.gz QJUZJMVSGYNWOI-CYBMUJFWSA-N 1 3 329.445 -0.486 20 0 EBADHO NCc1cn([C@H]2CCCN(C(=O)NCCOCCC[NH3+])C2)nn1 ZINC001351544884 832248624 /nfs/dbraw/zinc/24/86/24/832248624.db2.gz IXPHBHMUGKHRLH-ZDUSSCGKSA-N 1 3 325.417 -0.551 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001166667433 832277383 /nfs/dbraw/zinc/27/73/83/832277383.db2.gz BFHZEFJFPLJPKV-CYBMUJFWSA-N 1 3 334.424 -0.147 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001166668110 832277689 /nfs/dbraw/zinc/27/76/89/832277689.db2.gz RIKATCNPLCGNKM-AWEZNQCLSA-N 1 3 326.441 -0.717 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001166676675 832279235 /nfs/dbraw/zinc/27/92/35/832279235.db2.gz AYGGKABMKITLSC-CABCVRRESA-N 1 3 340.468 -0.593 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678148 832280413 /nfs/dbraw/zinc/28/04/13/832280413.db2.gz TZXWGOUIBXJUHA-VXGBXAGGSA-N 1 3 327.429 -0.732 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(=O)NC(N)=O ZINC001166750277 832286769 /nfs/dbraw/zinc/28/67/69/832286769.db2.gz BKTLXTRIVFRPKF-LLVKDONJSA-N 1 3 329.445 -0.356 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001166851841 832293682 /nfs/dbraw/zinc/29/36/82/832293682.db2.gz IFFUHIYUJLHWBV-YPMHNXCESA-N 1 3 341.456 -0.201 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001166865247 832294515 /nfs/dbraw/zinc/29/45/15/832294515.db2.gz DTVVPFILVDMGOS-KBPBESRZSA-N 1 3 348.513 -0.296 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001166858309 832294612 /nfs/dbraw/zinc/29/46/12/832294612.db2.gz OXXATYYKXKRZQS-KBPBESRZSA-N 1 3 328.457 -0.594 20 0 EBADHO C[C@@H](COCC(=O)NCCCNCc1cnnn1C)[NH+]1CCCC1 ZINC001166931923 832300005 /nfs/dbraw/zinc/30/00/05/832300005.db2.gz ZPAXNVPAGGTYLX-AWEZNQCLSA-N 1 3 338.456 -0.088 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001168763468 832434846 /nfs/dbraw/zinc/43/48/46/832434846.db2.gz OBJXMZLVPAVOIW-UHFFFAOYSA-N 1 3 343.472 -0.094 20 0 EBADHO Cc1cn(CC(=O)NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c(=O)[nH]c1=O ZINC001169107130 832448885 /nfs/dbraw/zinc/44/88/85/832448885.db2.gz DPUJCUJDJWDYME-ZSOGYDGISA-N 1 3 349.435 -0.412 20 0 EBADHO Cc1cc(NC(=O)CNCCCNC(=O)COCC[NH+](C)C)on1 ZINC001171197458 832549670 /nfs/dbraw/zinc/54/96/70/832549670.db2.gz FZYWXHRXJQWHFA-UHFFFAOYSA-N 1 3 341.412 -0.404 20 0 EBADHO Cc1cc(NC(=O)CNCCCNC(=O)COCC[NH+](C)C)no1 ZINC001171205099 832550573 /nfs/dbraw/zinc/55/05/73/832550573.db2.gz LUSODVDUGOGGAL-UHFFFAOYSA-N 1 3 341.412 -0.404 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001171770381 832575707 /nfs/dbraw/zinc/57/57/07/832575707.db2.gz PHSQAJOJBBXUEL-GFCCVEGCSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001171769601 832575688 /nfs/dbraw/zinc/57/56/88/832575688.db2.gz ACSGTJFFVXVEBJ-ZDUSSCGKSA-N 1 3 343.472 -0.983 20 0 EBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001171770692 832575789 /nfs/dbraw/zinc/57/57/89/832575789.db2.gz XSYNLSBFPVQVRF-JKSUJKDBSA-N 1 3 345.484 -0.019 20 0 EBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174681893 832593752 /nfs/dbraw/zinc/59/37/52/832593752.db2.gz CDCMPTLVSCWOPQ-OCCSQVGLSA-N 1 3 342.440 -0.231 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001176049854 832653940 /nfs/dbraw/zinc/65/39/40/832653940.db2.gz ZINPTDRMRBRIHX-JTQLQIEISA-N 1 3 326.426 -0.476 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2nncs2)C1 ZINC001176049854 832653943 /nfs/dbraw/zinc/65/39/43/832653943.db2.gz ZINPTDRMRBRIHX-JTQLQIEISA-N 1 3 326.426 -0.476 20 0 EBADHO C[C@@H](NCCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049159 832653966 /nfs/dbraw/zinc/65/39/66/832653966.db2.gz JJYQBEHBFIKIJK-CHWSQXEVSA-N 1 3 334.424 -0.149 20 0 EBADHO C[C@@H](NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049159 832653970 /nfs/dbraw/zinc/65/39/70/832653970.db2.gz JJYQBEHBFIKIJK-CHWSQXEVSA-N 1 3 334.424 -0.149 20 0 EBADHO C[C@@H](NCCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049160 832654333 /nfs/dbraw/zinc/65/43/33/832654333.db2.gz JJYQBEHBFIKIJK-OLZOCXBDSA-N 1 3 334.424 -0.149 20 0 EBADHO C[C@@H](NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049160 832654337 /nfs/dbraw/zinc/65/43/37/832654337.db2.gz JJYQBEHBFIKIJK-OLZOCXBDSA-N 1 3 334.424 -0.149 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986494 832725897 /nfs/dbraw/zinc/72/58/97/832725897.db2.gz PTJVSJAVWJNMLI-CQSZACIVSA-N 1 3 330.473 -0.036 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001176986482 832726181 /nfs/dbraw/zinc/72/61/81/832726181.db2.gz PKGNDXFCSKWJCG-GFCCVEGCSA-N 1 3 327.429 -0.588 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001176992285 832727583 /nfs/dbraw/zinc/72/75/83/832727583.db2.gz LEEKDEVWOASNJD-JKSUJKDBSA-N 1 3 345.484 -0.019 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001176992784 832728475 /nfs/dbraw/zinc/72/84/75/832728475.db2.gz ZYUALKDEBPWLTF-QWHCGFSZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001187307168 833918363 /nfs/dbraw/zinc/91/83/63/833918363.db2.gz XKWKAERONYBFTN-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001187307168 833918367 /nfs/dbraw/zinc/91/83/67/833918367.db2.gz XKWKAERONYBFTN-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001187321963 833919893 /nfs/dbraw/zinc/91/98/93/833919893.db2.gz JVMPTYQLKQTNFO-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001187329758 833920758 /nfs/dbraw/zinc/92/07/58/833920758.db2.gz VCAOCYHYIKXUTR-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192048132 834600308 /nfs/dbraw/zinc/60/03/08/834600308.db2.gz WJBWNONLOOGPKF-AWEZNQCLSA-N 1 3 325.457 -0.114 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001195594466 835252804 /nfs/dbraw/zinc/25/28/04/835252804.db2.gz OCBWEZKDLMXWFK-OAGGEKHMSA-N 1 3 343.468 -0.318 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001195594466 835252809 /nfs/dbraw/zinc/25/28/09/835252809.db2.gz OCBWEZKDLMXWFK-OAGGEKHMSA-N 1 3 343.468 -0.318 20 0 EBADHO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788095 835861851 /nfs/dbraw/zinc/86/18/51/835861851.db2.gz LKJIMBKVVKPSHU-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200479245 835973746 /nfs/dbraw/zinc/97/37/46/835973746.db2.gz OWJVKFVVEICXQV-KBPBESRZSA-N 1 3 326.441 -0.448 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200479245 835973751 /nfs/dbraw/zinc/97/37/51/835973751.db2.gz OWJVKFVVEICXQV-KBPBESRZSA-N 1 3 326.441 -0.448 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537883 835982523 /nfs/dbraw/zinc/98/25/23/835982523.db2.gz VCABIXBFMCVHRY-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537883 835982527 /nfs/dbraw/zinc/98/25/27/835982527.db2.gz VCABIXBFMCVHRY-RBSFLKMASA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687710 836015583 /nfs/dbraw/zinc/01/55/83/836015583.db2.gz GCPNHOSLHIVBJN-ZIAGYGMSSA-N 1 3 340.468 -0.058 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200687772 836015653 /nfs/dbraw/zinc/01/56/53/836015653.db2.gz HDQLMQGZABAWNI-ZDUSSCGKSA-N 1 3 326.441 -0.576 20 0 EBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001200795441 836034943 /nfs/dbraw/zinc/03/49/43/836034943.db2.gz KBLLNNBGAAPXBV-RRFJBIMHSA-N 1 3 331.457 -0.459 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001200850170 836045984 /nfs/dbraw/zinc/04/59/84/836045984.db2.gz FDXBFAZZDATPCW-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001200850170 836045997 /nfs/dbraw/zinc/04/59/97/836045997.db2.gz FDXBFAZZDATPCW-CYBMUJFWSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(=O)NC(N)=O ZINC001201043586 836084654 /nfs/dbraw/zinc/08/46/54/836084654.db2.gz DUGHEENXRBNBMX-LLVKDONJSA-N 1 3 339.440 -0.365 20 0 EBADHO NC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062117 836085922 /nfs/dbraw/zinc/08/59/22/836085922.db2.gz IDWMOHBYTJVVIB-GDBMZVCRSA-N 1 3 338.452 -0.447 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(=O)NC(N)=O ZINC001201053872 836086170 /nfs/dbraw/zinc/08/61/70/836086170.db2.gz ZVKJZEUIPMOVIX-MFKMUULPSA-N 1 3 339.440 -0.509 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1)C(N)=O ZINC001201128217 836098518 /nfs/dbraw/zinc/09/85/18/836098518.db2.gz GCAGMJAJYDLXIM-KBPBESRZSA-N 1 3 340.468 -0.058 20 0 EBADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1)N(C)C ZINC001201239319 836115700 /nfs/dbraw/zinc/11/57/00/836115700.db2.gz JALFGVUSDMGFPU-JKSUJKDBSA-N 1 3 345.484 -0.069 20 0 EBADHO CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262004 836119901 /nfs/dbraw/zinc/11/99/01/836119901.db2.gz RAGOVWSUTIRZCS-KBPBESRZSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@H](NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201277804 836121808 /nfs/dbraw/zinc/12/18/08/836121808.db2.gz XWRPHKFPHPXFRF-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001201276643 836121867 /nfs/dbraw/zinc/12/18/67/836121867.db2.gz ISGHLPKHFIOMQO-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201308762 836127029 /nfs/dbraw/zinc/12/70/29/836127029.db2.gz CWBYCKMNURGHSS-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309964 836127111 /nfs/dbraw/zinc/12/71/11/836127111.db2.gz WHGOYNXTKOILTB-HNNXBMFYSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[C@@H](NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309905 836127199 /nfs/dbraw/zinc/12/71/99/836127199.db2.gz URRQHIGACGQZPW-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001201345212 836132228 /nfs/dbraw/zinc/13/22/28/836132228.db2.gz ZRZFFRUPWJWAIX-JKSUJKDBSA-N 1 3 345.484 -0.211 20 0 EBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCCO1 ZINC001201343525 836132407 /nfs/dbraw/zinc/13/24/07/836132407.db2.gz HUDUTJNEJOYDBE-OWCLPIDISA-N 1 3 345.484 -0.213 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001201428894 836145335 /nfs/dbraw/zinc/14/53/35/836145335.db2.gz CBRKKFYIMFLTFI-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201678861 836174407 /nfs/dbraw/zinc/17/44/07/836174407.db2.gz QSVYTVFWZUQWGU-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201677466 836174992 /nfs/dbraw/zinc/17/49/92/836174992.db2.gz CEUWGSRVTOKUQW-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001201808970 836196163 /nfs/dbraw/zinc/19/61/63/836196163.db2.gz IUGVAMJHNLSXOJ-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001201808970 836196172 /nfs/dbraw/zinc/19/61/72/836196172.db2.gz IUGVAMJHNLSXOJ-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001201924445 836217001 /nfs/dbraw/zinc/21/70/01/836217001.db2.gz LTKXMVKLIDCUSB-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001201924445 836217014 /nfs/dbraw/zinc/21/70/14/836217014.db2.gz LTKXMVKLIDCUSB-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001201932475 836218476 /nfs/dbraw/zinc/21/84/76/836218476.db2.gz ZAIFIUBPWVNJGM-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202058608 836245362 /nfs/dbraw/zinc/24/53/62/836245362.db2.gz LNCBUVFHYCKAQD-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202058608 836245375 /nfs/dbraw/zinc/24/53/75/836245375.db2.gz LNCBUVFHYCKAQD-KBPBESRZSA-N 1 3 326.441 -0.719 20 0 EBADHO NC(=O)CNC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147541 836261861 /nfs/dbraw/zinc/26/18/61/836261861.db2.gz HNFNJLPOAPWGMJ-CQSZACIVSA-N 1 3 326.441 -0.445 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1)C(N)=O ZINC001202148646 836262678 /nfs/dbraw/zinc/26/26/78/836262678.db2.gz YPSYBZGDHPYECG-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162827 836264005 /nfs/dbraw/zinc/26/40/05/836264005.db2.gz AEFOHPLXIBMARF-UONOGXRCSA-N 1 3 328.457 -0.332 20 0 EBADHO CN(CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)S(C)(=O)=O ZINC001202667885 836333430 /nfs/dbraw/zinc/33/34/30/836333430.db2.gz OZKBXHRAZXVJJM-UHFFFAOYSA-N 1 3 343.453 -0.576 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669064 836333470 /nfs/dbraw/zinc/33/34/70/836333470.db2.gz WHZCKWOTIXWECI-UHFFFAOYSA-N 1 3 337.424 -0.315 20 0 EBADHO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202668645 836333600 /nfs/dbraw/zinc/33/36/00/836333600.db2.gz TXNHZANYQKODCQ-UHFFFAOYSA-N 1 3 337.424 -0.315 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)NC(=O)NCC)CC1 ZINC001203454944 836433823 /nfs/dbraw/zinc/43/38/23/836433823.db2.gz BHLHWVYOOCODIY-UHFFFAOYSA-N 1 3 341.456 -0.246 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705263 836464518 /nfs/dbraw/zinc/46/45/18/836464518.db2.gz PYPHWRQNSOMCTP-UHFFFAOYSA-N 1 3 340.468 -0.185 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925593 836488576 /nfs/dbraw/zinc/48/85/76/836488576.db2.gz STDWYTMZKPIIOB-UHFFFAOYSA-N 1 3 341.456 -0.247 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001204798964 836529795 /nfs/dbraw/zinc/52/97/95/836529795.db2.gz PRWJNTWNNUSBAA-CQSZACIVSA-N 1 3 331.482 -0.047 20 0 EBADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1)N(C)C ZINC001205516174 836574275 /nfs/dbraw/zinc/57/42/75/836574275.db2.gz RNKZIYMNOCTEBG-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001205515918 836574413 /nfs/dbraw/zinc/57/44/13/836574413.db2.gz FXBPTNUULDSUSZ-GFCCVEGCSA-N 1 3 327.429 -0.650 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001207685086 836844882 /nfs/dbraw/zinc/84/48/82/836844882.db2.gz WIDDELZOUHCYBR-OLZOCXBDSA-N 1 3 332.470 -0.790 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334512 836999224 /nfs/dbraw/zinc/99/92/24/836999224.db2.gz JFSRDDLUPWABJL-OCCSQVGLSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001208340760 837001778 /nfs/dbraw/zinc/00/17/78/837001778.db2.gz PEYWEQLBTPQRJF-NWDGAFQWSA-N 1 3 339.440 -0.365 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001208414628 837027311 /nfs/dbraw/zinc/02/73/11/837027311.db2.gz UHHRUKYUILXCQZ-CHWSQXEVSA-N 1 3 334.486 -0.544 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407658 837164808 /nfs/dbraw/zinc/16/48/08/837164808.db2.gz AAFMPECMFIAVST-ZDUSSCGKSA-N 1 3 339.440 -0.636 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420006 837165690 /nfs/dbraw/zinc/16/56/90/837165690.db2.gz QYKCWZVLDCSITQ-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001209446741 837167962 /nfs/dbraw/zinc/16/79/62/837167962.db2.gz UPTXUSVOXFXWBE-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209633159 837184000 /nfs/dbraw/zinc/18/40/00/837184000.db2.gz SEJJAEISHWZVRJ-QWHCGFSZSA-N 1 3 339.440 -0.493 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001209835708 837202970 /nfs/dbraw/zinc/20/29/70/837202970.db2.gz DFBWJTKWOVCTLT-HIFRSBDPSA-N 1 3 349.435 -0.484 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001210494018 837290201 /nfs/dbraw/zinc/29/02/01/837290201.db2.gz RAFONSUBACYBNG-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001210494018 837290210 /nfs/dbraw/zinc/29/02/10/837290210.db2.gz RAFONSUBACYBNG-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001210676318 837318210 /nfs/dbraw/zinc/31/82/10/837318210.db2.gz DXRVPVZTAWPIFI-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064841 837378253 /nfs/dbraw/zinc/37/82/53/837378253.db2.gz RCNFLANTNPLYJA-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064841 837378266 /nfs/dbraw/zinc/37/82/66/837378266.db2.gz RCNFLANTNPLYJA-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064428 837379370 /nfs/dbraw/zinc/37/93/70/837379370.db2.gz NKBJCPOTVNVRSA-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064428 837379380 /nfs/dbraw/zinc/37/93/80/837379380.db2.gz NKBJCPOTVNVRSA-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001319534803 838144973 /nfs/dbraw/zinc/14/49/73/838144973.db2.gz UAKIOKNYPJFUMN-KBPBESRZSA-N 1 3 348.513 -0.201 20 0 EBADHO CN1CC[C@](O)(C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC001320222953 838715169 /nfs/dbraw/zinc/71/51/69/838715169.db2.gz NKQUFFBGTNDZTI-KRWDZBQOSA-N 1 3 326.485 -0.561 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001320448693 838771750 /nfs/dbraw/zinc/77/17/50/838771750.db2.gz XBNZUHVQYMYWDH-LLVKDONJSA-N 1 3 327.429 -0.589 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001323075810 839342412 /nfs/dbraw/zinc/34/24/12/839342412.db2.gz YJDSDHGZDAYGNC-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001323075810 839342424 /nfs/dbraw/zinc/34/24/24/839342424.db2.gz YJDSDHGZDAYGNC-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CN1CCCC1 ZINC001324098648 839591933 /nfs/dbraw/zinc/59/19/33/839591933.db2.gz SJWGNCKBHCFOMP-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@@H]1C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC001325646091 839905596 /nfs/dbraw/zinc/90/55/96/839905596.db2.gz HZBXQHHZVOGDQO-HUUCEWRRSA-N 1 3 342.484 -0.131 20 0 EBADHO CCOC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001326753401 840192962 /nfs/dbraw/zinc/19/29/62/840192962.db2.gz ZXACPAKPYKNHCZ-UHFFFAOYSA-N 1 3 342.484 -0.034 20 0 EBADHO CO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC001326993382 840264145 /nfs/dbraw/zinc/26/41/45/840264145.db2.gz DZPBCAMQOCDWEW-GJZGRUSLSA-N 1 3 342.484 -0.178 20 0 EBADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001327498113 840436857 /nfs/dbraw/zinc/43/68/57/840436857.db2.gz JJYXBXFRIRRRCH-ZFWWWQNUSA-N 1 3 338.452 -0.447 20 0 EBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001327515242 840442035 /nfs/dbraw/zinc/44/20/35/840442035.db2.gz LCTBNQTYNHOSPT-DZGCQCFKSA-N 1 3 338.452 -0.386 20 0 EBADHO COCC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001328384907 840668880 /nfs/dbraw/zinc/66/88/80/840668880.db2.gz KFTVXHIUSUOPIE-UHFFFAOYSA-N 1 3 342.484 -0.177 20 0 EBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001328745284 840739898 /nfs/dbraw/zinc/73/98/98/840739898.db2.gz DLOPPJGYCIUGCQ-YJNKXOJESA-N 1 3 338.452 -0.401 20 0 EBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)CC1 ZINC001331193653 841367412 /nfs/dbraw/zinc/36/74/12/841367412.db2.gz XAPWLGOBWPJRTI-OAHLLOKOSA-N 1 3 337.468 -0.922 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332502323 841654940 /nfs/dbraw/zinc/65/49/40/841654940.db2.gz BLBKOJAYYGYPRD-HUUCEWRRSA-N 1 3 338.456 -0.440 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCOCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001335316125 842258958 /nfs/dbraw/zinc/25/89/58/842258958.db2.gz LFMVJVLYUYFBIV-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001335316125 842258968 /nfs/dbraw/zinc/25/89/68/842258968.db2.gz LFMVJVLYUYFBIV-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001335538386 842302134 /nfs/dbraw/zinc/30/21/34/842302134.db2.gz SVJJRMKNTJOQOK-CVEARBPZSA-N 1 3 339.484 -0.478 20 0 EBADHO CN1CCN(C)[C@@H](CNC(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001336016806 842383766 /nfs/dbraw/zinc/38/37/66/842383766.db2.gz HLCSBVMPUVGXIP-INIZCTEOSA-N 1 3 340.516 -0.393 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336558592 842492506 /nfs/dbraw/zinc/49/25/06/842492506.db2.gz YLVICTUBOPUFBV-CHWSQXEVSA-N 1 3 326.441 -0.733 20 0 EBADHO CN1CCN(CCCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343454707 843237757 /nfs/dbraw/zinc/23/77/57/843237757.db2.gz WSXATSSBIQYFEV-OAHLLOKOSA-N 1 3 339.484 -0.673 20 0 EBADHO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001481215936 1125945563 /nfs/dbraw/zinc/94/55/63/1125945563.db2.gz PPPPHZXSCUCETN-LBPRGKRZSA-N 1 3 339.440 -0.541 20 0 EBADHO CN(CCNCCN(C)S(C)(=O)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230789 1125948421 /nfs/dbraw/zinc/94/84/21/1125948421.db2.gz DWFCZTRMJVMZBJ-CQSZACIVSA-N 1 3 346.497 -0.732 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCC(=O)NC2=O)C1 ZINC001481269205 1125958570 /nfs/dbraw/zinc/95/85/70/1125958570.db2.gz CQBRHLIOWMRKRD-KGLIPLIRSA-N 1 3 338.452 -0.038 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCC(=O)NC2=O)C1 ZINC001481269205 1125958571 /nfs/dbraw/zinc/95/85/71/1125958571.db2.gz CQBRHLIOWMRKRD-KGLIPLIRSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001481276479 1125962390 /nfs/dbraw/zinc/96/23/90/1125962390.db2.gz BYQJZCNGGDYRAF-OKILXGFUSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCCO1)C(=O)C1CC[NH+](C)CC1 ZINC001481277444 1125962647 /nfs/dbraw/zinc/96/26/47/1125962647.db2.gz OYWKBGIHISVBFO-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001481280025 1125962994 /nfs/dbraw/zinc/96/29/94/1125962994.db2.gz NEVRWKORBXZZTP-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001481280025 1125962998 /nfs/dbraw/zinc/96/29/98/1125962998.db2.gz NEVRWKORBXZZTP-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(=O)NC ZINC001481846297 1126061391 /nfs/dbraw/zinc/06/13/91/1126061391.db2.gz XLSJTMSHSUNSAQ-NSHDSACASA-N 1 3 327.429 -0.732 20 0 EBADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001481949819 1126069190 /nfs/dbraw/zinc/06/91/90/1126069190.db2.gz AXPONKCBMDAXLD-MEDUHNTESA-N 1 3 341.456 -0.216 20 0 EBADHO C[C@@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364341 1126138874 /nfs/dbraw/zinc/13/88/74/1126138874.db2.gz HNMAWXDHJBTPDN-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@@H](CNCC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482364341 1126138875 /nfs/dbraw/zinc/13/88/75/1126138875.db2.gz HNMAWXDHJBTPDN-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)CN1CCCC1 ZINC001482365989 1126139433 /nfs/dbraw/zinc/13/94/33/1126139433.db2.gz ZTAXNTRZOKOFGM-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCCC1)C1CCC1 ZINC001482737299 1126271797 /nfs/dbraw/zinc/27/17/97/1126271797.db2.gz JOTIYIQQSUICHR-OAHLLOKOSA-N 1 3 340.468 -0.450 20 0 EBADHO C[C@@H]1CCCCN1C(=O)CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764403 1126281462 /nfs/dbraw/zinc/28/14/62/1126281462.db2.gz PVXGSDKBBAWHJL-KGLIPLIRSA-N 1 3 328.457 -0.594 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775116 1126285083 /nfs/dbraw/zinc/28/50/83/1126285083.db2.gz OGMOOCYXMKEDCI-GJZGRUSLSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)(C)NC(=O)CNC[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001482800359 1126295130 /nfs/dbraw/zinc/29/51/30/1126295130.db2.gz VWXYUTVMAHAENH-AWEZNQCLSA-N 1 3 342.484 -0.156 20 0 EBADHO CCN(CCNCC(=O)NC(N)=O)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482969392 1126307892 /nfs/dbraw/zinc/30/78/92/1126307892.db2.gz FYEIFJWDBYXHCG-RYUDHWBXSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)(C(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043980 1126318400 /nfs/dbraw/zinc/31/84/00/1126318400.db2.gz YSIZOKGTKUCUFS-DHCBQETCSA-N 1 3 336.436 -0.072 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555823 1126321481 /nfs/dbraw/zinc/32/14/81/1126321481.db2.gz KUSIRZNBCGRSQG-STQMWFEESA-N 1 3 341.456 -0.390 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001483126929 1126336287 /nfs/dbraw/zinc/33/62/87/1126336287.db2.gz AOURYRREIZNQTM-KGLIPLIRSA-N 1 3 325.457 -0.021 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001483162784 1126349060 /nfs/dbraw/zinc/34/90/60/1126349060.db2.gz NHXZWAZVFGXQDO-LLVKDONJSA-N 1 3 329.445 -0.343 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001483167273 1126349261 /nfs/dbraw/zinc/34/92/61/1126349261.db2.gz XYBQLAZDXKBHCZ-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C ZINC001483167250 1126349445 /nfs/dbraw/zinc/34/94/45/1126349445.db2.gz GKIRGWMBWXGSFW-RDBSUJKOSA-N 1 3 328.457 -0.332 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483260078 1126411286 /nfs/dbraw/zinc/41/12/86/1126411286.db2.gz YVRQJHJQPZKICH-RVMXOQNASA-N 1 3 341.456 -0.345 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483260078 1126411288 /nfs/dbraw/zinc/41/12/88/1126411288.db2.gz YVRQJHJQPZKICH-RVMXOQNASA-N 1 3 341.456 -0.345 20 0 EBADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CCC(C)CC1)C(=O)NC(N)=O ZINC001483498971 1126431242 /nfs/dbraw/zinc/43/12/42/1126431242.db2.gz BIFPHCZVWONKNW-CYBMUJFWSA-N 1 3 341.456 -0.260 20 0 EBADHO C[NH+]1CCC(CC(=O)N[C@@H](CNCC(=O)NC(N)=O)C2CC2)CC1 ZINC001483591153 1126437748 /nfs/dbraw/zinc/43/77/48/1126437748.db2.gz ACBFYUQIECYAHN-ZDUSSCGKSA-N 1 3 339.440 -0.602 20 0 EBADHO CN(CCNCC(=O)N1CCOCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493548932 1126478561 /nfs/dbraw/zinc/47/85/61/1126478561.db2.gz BBOJYNMMAKGYIJ-OAHLLOKOSA-N 1 3 338.452 -0.765 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483943743 1126491901 /nfs/dbraw/zinc/49/19/01/1126491901.db2.gz XFELTIHTIMASIN-GXTWGEPZSA-N 1 3 341.456 -0.391 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484355543 1126565108 /nfs/dbraw/zinc/56/51/08/1126565108.db2.gz HIJGKWLIPJQLGC-VXGBXAGGSA-N 1 3 325.413 -0.896 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686655 1126621761 /nfs/dbraw/zinc/62/17/61/1126621761.db2.gz AFDHVLUGTAYSEO-JSGCOSHPSA-N 1 3 326.441 -0.578 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCO[C@H](CN[C@@H]3CCCNC3=O)C2)CC1 ZINC001484686133 1126621816 /nfs/dbraw/zinc/62/18/16/1126621816.db2.gz PENBUHPDGCWQLR-ZIAGYGMSSA-N 1 3 338.452 -0.576 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC001485021167 1126663888 /nfs/dbraw/zinc/66/38/88/1126663888.db2.gz JZQOTFXXTJFNRU-UONOGXRCSA-N 1 3 333.448 -0.010 20 0 EBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001485147961 1126676720 /nfs/dbraw/zinc/67/67/20/1126676720.db2.gz SJXZQLNWCRKOEH-NEPJUHHUSA-N 1 3 341.456 -0.071 20 0 EBADHO Cn1ccc(CN[C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)cc1=O ZINC001486025729 1126976580 /nfs/dbraw/zinc/97/65/80/1126976580.db2.gz ATZFAAHZOQPFFO-AWEZNQCLSA-N 1 3 336.436 -0.706 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032803 1127002691 /nfs/dbraw/zinc/00/26/91/1127002691.db2.gz DEUSZSWPNDYTHY-UONOGXRCSA-N 1 3 326.441 -0.983 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219185 1127063627 /nfs/dbraw/zinc/06/36/27/1127063627.db2.gz RNFQUNDKNGYFQR-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486309999 1127114706 /nfs/dbraw/zinc/11/47/06/1127114706.db2.gz HWJMORJUHCEDEU-HIFRSBDPSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001410227259 1127649461 /nfs/dbraw/zinc/64/94/61/1127649461.db2.gz PPVMCGPCKCCGQK-LPWJVIDDSA-N 1 3 341.456 -0.345 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001410227257 1127649474 /nfs/dbraw/zinc/64/94/74/1127649474.db2.gz PPVMCGPCKCCGQK-CYDGBPFRSA-N 1 3 341.456 -0.345 20 0 EBADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482861 1127726546 /nfs/dbraw/zinc/72/65/46/1127726546.db2.gz RWPCRIHMXGQPBH-QWHCGFSZSA-N 1 3 328.457 -0.332 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C[C@@H]1C ZINC001410854169 1127917376 /nfs/dbraw/zinc/91/73/76/1127917376.db2.gz BTDKSVBYEFQPPT-NWDGAFQWSA-N 1 3 327.429 -0.637 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001410870345 1127923590 /nfs/dbraw/zinc/92/35/90/1127923590.db2.gz WLFXNWXEOCRGMI-UONOGXRCSA-N 1 3 348.513 -0.203 20 0 EBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001411055430 1127989741 /nfs/dbraw/zinc/98/97/41/1127989741.db2.gz AEVRBDRLMACRTR-KBPBESRZSA-N 1 3 338.456 -0.104 20 0 EBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001411055430 1127989743 /nfs/dbraw/zinc/98/97/43/1127989743.db2.gz AEVRBDRLMACRTR-KBPBESRZSA-N 1 3 338.456 -0.104 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092272914 1128220197 /nfs/dbraw/zinc/22/01/97/1128220197.db2.gz IUMMICPXVHGXLI-RKVPGOIHSA-N 1 3 349.479 -0.256 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092272914 1128220200 /nfs/dbraw/zinc/22/02/00/1128220200.db2.gz IUMMICPXVHGXLI-RKVPGOIHSA-N 1 3 349.479 -0.256 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835342 1128355756 /nfs/dbraw/zinc/35/57/56/1128355756.db2.gz TYTMUWCPLUZXLY-GFCCVEGCSA-N 1 3 325.413 -0.882 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001489361608 1128979484 /nfs/dbraw/zinc/97/94/84/1128979484.db2.gz YTQCOSJQFRIJDI-FMKPAKJESA-N 1 3 342.484 -0.399 20 0 EBADHO C[C@@H](NCC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490308679 1129163343 /nfs/dbraw/zinc/16/33/43/1129163343.db2.gz VWPAFJNQQQQQFQ-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200695582 1130845517 /nfs/dbraw/zinc/84/55/17/1130845517.db2.gz AONMHWOAXJGZKE-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)nc1C(N)=O ZINC001364432173 1132314721 /nfs/dbraw/zinc/31/47/21/1132314721.db2.gz OPHGQJSVEYTHLV-NSHDSACASA-N 1 3 339.444 -0.088 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)nc1C(N)=O ZINC001364432173 1132314728 /nfs/dbraw/zinc/31/47/28/1132314728.db2.gz OPHGQJSVEYTHLV-NSHDSACASA-N 1 3 339.444 -0.088 20 0 EBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001365844335 1132829196 /nfs/dbraw/zinc/82/91/96/1132829196.db2.gz JUJWGRIUHFFNOF-SRVKXCTJSA-N 1 3 327.429 -0.733 20 0 EBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001365855691 1132834492 /nfs/dbraw/zinc/83/44/92/1132834492.db2.gz OEYUGUCFYIHLCW-HAQNSBGRSA-N 1 3 341.456 -0.356 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001365864071 1132842027 /nfs/dbraw/zinc/84/20/27/1132842027.db2.gz GRXGOZBNBLVUDT-OLZOCXBDSA-N 1 3 341.456 -0.390 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)N(C)C ZINC001366097061 1133002267 /nfs/dbraw/zinc/00/22/67/1133002267.db2.gz ZTFLWZBFVNEHJO-RRFJBIMHSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001366102763 1133006717 /nfs/dbraw/zinc/00/67/17/1133006717.db2.gz CNCYGSGCCUPADG-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001366103564 1133007057 /nfs/dbraw/zinc/00/70/57/1133007057.db2.gz UEYHUVCIOPWRHT-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001366103564 1133007062 /nfs/dbraw/zinc/00/70/62/1133007062.db2.gz UEYHUVCIOPWRHT-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366129105 1133019761 /nfs/dbraw/zinc/01/97/61/1133019761.db2.gz FDBBALJRZWISSR-MGPQQGTHSA-N 1 3 336.440 -0.480 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325437 1133099928 /nfs/dbraw/zinc/09/99/28/1133099928.db2.gz RRWHTZXATHXOOJ-GHMZBOCLSA-N 1 3 327.429 -0.733 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366385456 1133123726 /nfs/dbraw/zinc/12/37/26/1133123726.db2.gz KOEINUGNNMQADT-GXTWGEPZSA-N 1 3 341.456 -0.391 20 0 EBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001366769524 1133290288 /nfs/dbraw/zinc/29/02/88/1133290288.db2.gz PYUHLPPWDOUNAN-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]([NH2+]CC(=O)NC(N)=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001366780317 1133295269 /nfs/dbraw/zinc/29/52/69/1133295269.db2.gz DOAMCIFKJIFOKB-LBPRGKRZSA-N 1 3 339.440 -0.506 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001367221257 1133504661 /nfs/dbraw/zinc/50/46/61/1133504661.db2.gz PMLUMWKQSDCSFP-NEPJUHHUSA-N 1 3 345.419 -0.558 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001367358917 1133561683 /nfs/dbraw/zinc/56/16/83/1133561683.db2.gz NIOFBVYOVYBYBX-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)NC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001367375408 1133568824 /nfs/dbraw/zinc/56/88/24/1133568824.db2.gz JGBZPMLMRRPBAE-VXGBXAGGSA-N 1 3 341.456 -0.249 20 0 EBADHO CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001367579209 1133647155 /nfs/dbraw/zinc/64/71/55/1133647155.db2.gz JHVZGGIQYUWOPH-STQMWFEESA-N 1 3 328.457 -0.419 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593724 1133666391 /nfs/dbraw/zinc/66/63/91/1133666391.db2.gz LMQORQGHTGNVOK-OLZOCXBDSA-N 1 3 326.441 -0.936 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367730780 1133763207 /nfs/dbraw/zinc/76/32/07/1133763207.db2.gz FUPPYQROWRTUAV-DMDPSCGWSA-N 1 3 339.440 -0.591 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367730780 1133763210 /nfs/dbraw/zinc/76/32/10/1133763210.db2.gz FUPPYQROWRTUAV-DMDPSCGWSA-N 1 3 339.440 -0.591 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001367755958 1133773007 /nfs/dbraw/zinc/77/30/07/1133773007.db2.gz RUKZKLUQOIXLFQ-YNEHKIRRSA-N 1 3 343.472 -0.099 20 0 EBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C ZINC001367758524 1133774320 /nfs/dbraw/zinc/77/43/20/1133774320.db2.gz VWAYLDXERUQZEL-GVXVVHGQSA-N 1 3 341.456 -0.202 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001367777450 1133781320 /nfs/dbraw/zinc/78/13/20/1133781320.db2.gz UYEDZBKLMFEHLC-UONOGXRCSA-N 1 3 348.513 -0.298 20 0 EBADHO C[C@@H]1CN(C(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913510 1133837534 /nfs/dbraw/zinc/83/75/34/1133837534.db2.gz RECGZADMMLPSOD-HIFRSBDPSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H](NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105059 1133940086 /nfs/dbraw/zinc/94/00/86/1133940086.db2.gz CWKYQKSFWDTSNL-WCQYABFASA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@H](NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368127014 1133950312 /nfs/dbraw/zinc/95/03/12/1133950312.db2.gz PDZQOTNKARBGIX-RYUDHWBXSA-N 1 3 337.424 -0.754 20 0 EBADHO C[C@@H](NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368127020 1133950727 /nfs/dbraw/zinc/95/07/27/1133950727.db2.gz PDZQOTNKARBGIX-VXGBXAGGSA-N 1 3 337.424 -0.754 20 0 EBADHO CCN1CC[C@@H](N2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290417 1134108314 /nfs/dbraw/zinc/10/83/14/1134108314.db2.gz USSJIVBZTRAARP-RHSMWYFYSA-N 1 3 338.452 -0.744 20 0 EBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509629 1134262280 /nfs/dbraw/zinc/26/22/80/1134262280.db2.gz LLZHWZZKHDNEGB-ZBFHGGJFSA-N 1 3 342.484 -0.084 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001368532796 1134278496 /nfs/dbraw/zinc/27/84/96/1134278496.db2.gz KUZPGQCPRLHXBJ-GJZGRUSLSA-N 1 3 348.407 -0.973 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001368532797 1134278951 /nfs/dbraw/zinc/27/89/51/1134278951.db2.gz KUZPGQCPRLHXBJ-HUUCEWRRSA-N 1 3 348.407 -0.973 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001368563252 1134291496 /nfs/dbraw/zinc/29/14/96/1134291496.db2.gz AMCIXKJYVMPYEJ-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001368563252 1134291497 /nfs/dbraw/zinc/29/14/97/1134291497.db2.gz AMCIXKJYVMPYEJ-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001368609674 1134321474 /nfs/dbraw/zinc/32/14/74/1134321474.db2.gz APUODOXQPVOGKZ-GDBMZVCRSA-N 1 3 343.468 -0.579 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368649707 1134355343 /nfs/dbraw/zinc/35/53/43/1134355343.db2.gz GCQGSYYWORRPKU-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO Cc1nc(CNCC2(O)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n[nH]1 ZINC001368681070 1134378945 /nfs/dbraw/zinc/37/89/45/1134378945.db2.gz BERREUBLHIJKPU-ZDUSSCGKSA-N 1 3 336.440 -0.492 20 0 EBADHO Cc1nc(CNCC2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n[nH]1 ZINC001368681070 1134378951 /nfs/dbraw/zinc/37/89/51/1134378951.db2.gz BERREUBLHIJKPU-ZDUSSCGKSA-N 1 3 336.440 -0.492 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001368684736 1134384243 /nfs/dbraw/zinc/38/42/43/1134384243.db2.gz GTDPZNFRCBFUQN-KBPBESRZSA-N 1 3 338.452 -0.568 20 0 EBADHO NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001368684736 1134384250 /nfs/dbraw/zinc/38/42/50/1134384250.db2.gz GTDPZNFRCBFUQN-KBPBESRZSA-N 1 3 338.452 -0.568 20 0 EBADHO CC[C@@H](C)NC(=O)CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368695611 1134396587 /nfs/dbraw/zinc/39/65/87/1134396587.db2.gz UYVJKHXTJBVPBQ-CQSZACIVSA-N 1 3 342.484 -0.204 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001368737750 1134413706 /nfs/dbraw/zinc/41/37/06/1134413706.db2.gz SPGFIJOAXQKDMZ-KBPBESRZSA-N 1 3 325.457 -0.162 20 0 EBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368846061 1134464221 /nfs/dbraw/zinc/46/42/21/1134464221.db2.gz SBYWYRRATJAYHR-UONOGXRCSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155577 1134596673 /nfs/dbraw/zinc/59/66/73/1134596673.db2.gz JUVUBNIGPXDPNB-LSDHHAIUSA-N 1 3 340.468 -0.236 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001369237343 1134625825 /nfs/dbraw/zinc/62/58/25/1134625825.db2.gz JVCUYGPFTPHPEX-QJPTWQEYSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369237343 1134625824 /nfs/dbraw/zinc/62/58/24/1134625824.db2.gz JVCUYGPFTPHPEX-QJPTWQEYSA-N 1 3 327.429 -0.781 20 0 EBADHO CCN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC001369331341 1134674225 /nfs/dbraw/zinc/67/42/25/1134674225.db2.gz BZZHFRIDJLXGBC-HIFRSBDPSA-N 1 3 340.468 -0.452 20 0 EBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001369350015 1134699951 /nfs/dbraw/zinc/69/99/51/1134699951.db2.gz ANEPNZWECVSQHS-LBPRGKRZSA-N 1 3 339.440 -0.493 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001369401936 1134760798 /nfs/dbraw/zinc/76/07/98/1134760798.db2.gz NDOBTMJBEPZHBC-QWHCGFSZSA-N 1 3 338.456 -0.081 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001369401936 1134760804 /nfs/dbraw/zinc/76/08/04/1134760804.db2.gz NDOBTMJBEPZHBC-QWHCGFSZSA-N 1 3 338.456 -0.081 20 0 EBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCc1ccnn1C)[NH+](C)C ZINC001369479322 1134843206 /nfs/dbraw/zinc/84/32/06/1134843206.db2.gz ZRZNPJIVLBLSRZ-GJZGRUSLSA-N 1 3 325.457 -0.085 20 0 EBADHO CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480525 1134847338 /nfs/dbraw/zinc/84/73/38/1134847338.db2.gz OGTLJJJGYZXPBI-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369480525 1134847341 /nfs/dbraw/zinc/84/73/41/1134847341.db2.gz OGTLJJJGYZXPBI-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN1CC[C@H](NC[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489579 1134863396 /nfs/dbraw/zinc/86/33/96/1134863396.db2.gz XRTXVMKZZOGHQN-KBPBESRZSA-N 1 3 338.452 -0.888 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)N(C)C ZINC001370362538 1135318995 /nfs/dbraw/zinc/31/89/95/1135318995.db2.gz JEYMBBXQYZESAP-QLFBSQMISA-N 1 3 340.468 -0.330 20 0 EBADHO CN(CC(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001370723190 1135548109 /nfs/dbraw/zinc/54/81/09/1135548109.db2.gz BKROXQRMRMBYQO-ZDUSSCGKSA-N 1 3 338.452 -0.840 20 0 EBADHO CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370727309 1135554915 /nfs/dbraw/zinc/55/49/15/1135554915.db2.gz SAFTUUSTFYTDAA-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(C)C1(C(=O)N[C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001370780936 1135626260 /nfs/dbraw/zinc/62/62/60/1135626260.db2.gz TXZQFKZNZZOBIH-ZDUSSCGKSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001370857706 1135674148 /nfs/dbraw/zinc/67/41/48/1135674148.db2.gz YLZQVVDVQJVDLS-OLZOCXBDSA-N 1 3 341.456 -0.390 20 0 EBADHO CCN(CC)CC(=O)N(C)C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371006073 1135762960 /nfs/dbraw/zinc/76/29/60/1135762960.db2.gz FJYCTVGWFMOFER-HNNXBMFYSA-N 1 3 342.484 -0.395 20 0 EBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1OC ZINC001371511872 1135941900 /nfs/dbraw/zinc/94/19/00/1135941900.db2.gz KGEHWNOMDGQSSB-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)CC1 ZINC001371534785 1135958620 /nfs/dbraw/zinc/95/86/20/1135958620.db2.gz YFSHCDSVBGWFAN-AWEZNQCLSA-N 1 3 338.452 -0.623 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001371536385 1135959774 /nfs/dbraw/zinc/95/97/74/1135959774.db2.gz DOODPMYXMROBNG-KGLIPLIRSA-N 1 3 337.424 -0.628 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001371536385 1135959778 /nfs/dbraw/zinc/95/97/78/1135959778.db2.gz DOODPMYXMROBNG-KGLIPLIRSA-N 1 3 337.424 -0.628 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001371541883 1135963557 /nfs/dbraw/zinc/96/35/57/1135963557.db2.gz IYJFZQXTTWNKHV-KGLIPLIRSA-N 1 3 328.457 -0.642 20 0 EBADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001371730914 1136010332 /nfs/dbraw/zinc/01/03/32/1136010332.db2.gz IDKLLZYNGCEPNE-CHWSQXEVSA-N 1 3 334.424 -0.006 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001372218575 1136142341 /nfs/dbraw/zinc/14/23/41/1136142341.db2.gz GQBCNTZDHSDJOL-OAHLLOKOSA-N 1 3 339.484 -0.707 20 0 EBADHO CC[C@H](C(=O)N1CCN(CCNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001372219798 1136143262 /nfs/dbraw/zinc/14/32/62/1136143262.db2.gz LSJUJVPGZYNYSA-OAHLLOKOSA-N 1 3 341.500 -0.461 20 0 EBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001372926685 1136328565 /nfs/dbraw/zinc/32/85/65/1136328565.db2.gz SMJPFVNQVMLUSY-YPMHNXCESA-N 1 3 339.440 -0.495 20 0 EBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001373974790 1136597006 /nfs/dbraw/zinc/59/70/06/1136597006.db2.gz QMEQVYAUCTYXAU-CVEARBPZSA-N 1 3 335.452 -0.080 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374237012 1136655014 /nfs/dbraw/zinc/65/50/14/1136655014.db2.gz YECSFNJBCSNDRC-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374237012 1136655016 /nfs/dbraw/zinc/65/50/16/1136655016.db2.gz YECSFNJBCSNDRC-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374237007 1136655284 /nfs/dbraw/zinc/65/52/84/1136655284.db2.gz YECSFNJBCSNDRC-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374237007 1136655285 /nfs/dbraw/zinc/65/52/85/1136655285.db2.gz YECSFNJBCSNDRC-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCCS(C)(=O)=O ZINC001374443025 1136689100 /nfs/dbraw/zinc/68/91/00/1136689100.db2.gz HXSHGGIGAIFWJZ-ZDUSSCGKSA-N 1 3 331.482 -0.143 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CCNS(C)(=O)=O)C1 ZINC001374560701 1136718874 /nfs/dbraw/zinc/71/88/74/1136718874.db2.gz DUNGHRGOYKNDAL-UONOGXRCSA-N 1 3 346.497 -0.590 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CCNS(C)(=O)=O)C1 ZINC001374560700 1136719296 /nfs/dbraw/zinc/71/92/96/1136719296.db2.gz DUNGHRGOYKNDAL-KGLIPLIRSA-N 1 3 346.497 -0.590 20 0 EBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001374632706 1136763163 /nfs/dbraw/zinc/76/31/63/1136763163.db2.gz KKMXEDNVLFITMR-CQSZACIVSA-N 1 3 342.484 -0.347 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687165 1136802795 /nfs/dbraw/zinc/80/27/95/1136802795.db2.gz ZJISQFBUYOALQF-LSDHHAIUSA-N 1 3 349.431 -0.024 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687165 1136802798 /nfs/dbraw/zinc/80/27/98/1136802798.db2.gz ZJISQFBUYOALQF-LSDHHAIUSA-N 1 3 349.431 -0.024 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001374931718 1136878648 /nfs/dbraw/zinc/87/86/48/1136878648.db2.gz RJBHXXPPYZGANP-WDEREUQCSA-N 1 3 327.429 -0.733 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001374963233 1136885045 /nfs/dbraw/zinc/88/50/45/1136885045.db2.gz TVIBUBGUWOKXKA-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000665761729 545681183 /nfs/dbraw/zinc/68/11/83/545681183.db2.gz ODFQXVOOHNPZEW-QWHCGFSZSA-N 1 3 349.501 -0.669 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000665761729 545681190 /nfs/dbraw/zinc/68/11/90/545681190.db2.gz ODFQXVOOHNPZEW-QWHCGFSZSA-N 1 3 349.501 -0.669 20 0 EBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000583928843 375887609 /nfs/dbraw/zinc/88/76/09/375887609.db2.gz SYVUTYCELXGHPJ-CYBMUJFWSA-N 1 3 325.457 -0.970 20 0 EBADHO CC(C)O[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000583934741 375887934 /nfs/dbraw/zinc/88/79/34/375887934.db2.gz TVZGNBVPDRSONP-OAHLLOKOSA-N 1 3 342.484 -0.036 20 0 EBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)C2)C1 ZINC000643593603 375922067 /nfs/dbraw/zinc/92/20/67/375922067.db2.gz XUKWALGDHZRFLQ-RKVPGOIHSA-N 1 3 334.464 -0.001 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCSC1 ZINC000642768755 376087713 /nfs/dbraw/zinc/08/77/13/376087713.db2.gz ANTJVSUJEXKECW-ZENOOKHLSA-N 1 3 340.493 -0.250 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCSC1 ZINC000642768931 376088511 /nfs/dbraw/zinc/08/85/11/376088511.db2.gz SGWQYCBIJYTDTK-ZOWXZIJZSA-N 1 3 326.466 -0.782 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642773219 376094255 /nfs/dbraw/zinc/09/42/55/376094255.db2.gz BUXJCRYHMGMGPD-BFHYXJOUSA-N 1 3 326.441 -0.448 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CCO1 ZINC000642732159 376055675 /nfs/dbraw/zinc/05/56/75/376055675.db2.gz JQDFAJOWAOIKKC-KGLIPLIRSA-N 1 3 326.441 -0.591 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CCO1 ZINC000642733343 376058323 /nfs/dbraw/zinc/05/83/23/376058323.db2.gz FUWGBTPNKZWVIS-MCIONIFRSA-N 1 3 326.441 -0.448 20 0 EBADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297427 376169390 /nfs/dbraw/zinc/16/93/90/376169390.db2.gz LTIBPKNQGVESTG-UHFFFAOYSA-N 1 3 340.374 -0.057 20 0 EBADHO O=C(NC1CNC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557297549 376170136 /nfs/dbraw/zinc/17/01/36/376170136.db2.gz XWZVRJXNXHWIJV-GASCZTMLSA-N 1 3 328.416 -0.335 20 0 EBADHO O=C(NC1CNC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557297549 376170139 /nfs/dbraw/zinc/17/01/39/376170139.db2.gz XWZVRJXNXHWIJV-GASCZTMLSA-N 1 3 328.416 -0.335 20 0 EBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C(C)(C)C[NH+](C)C ZINC000557292607 376170217 /nfs/dbraw/zinc/17/02/17/376170217.db2.gz WQABBQVEPHNCET-STQMWFEESA-N 1 3 327.473 -0.820 20 0 EBADHO CC1(C)NC(=O)N(CCN2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000261708729 376180451 /nfs/dbraw/zinc/18/04/51/376180451.db2.gz KXHHNGZAPJGDGA-NSHDSACASA-N 1 3 325.413 -0.896 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000625465621 376232357 /nfs/dbraw/zinc/23/23/57/376232357.db2.gz JPQMRYOWUSSCMX-OKILXGFUSA-N 1 3 328.457 -0.833 20 0 EBADHO CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000558355858 376248772 /nfs/dbraw/zinc/24/87/72/376248772.db2.gz SWJDMKQKNZRIQP-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO CNC(=O)NC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000408033174 376291295 /nfs/dbraw/zinc/29/12/95/376291295.db2.gz IOHZESHIOKFDEJ-KGLIPLIRSA-N 1 3 325.457 -0.210 20 0 EBADHO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)CN1CCN(C)CC1 ZINC000564924768 376401112 /nfs/dbraw/zinc/40/11/12/376401112.db2.gz YFHVTOHFZBHIBM-GJZGRUSLSA-N 1 3 349.483 -0.357 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000642887397 376454417 /nfs/dbraw/zinc/45/44/17/376454417.db2.gz QVHHJWJADJHFKV-REWJHTLYSA-N 1 3 338.452 -0.041 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000642887397 376454418 /nfs/dbraw/zinc/45/44/18/376454418.db2.gz QVHHJWJADJHFKV-REWJHTLYSA-N 1 3 338.452 -0.041 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904581 376683549 /nfs/dbraw/zinc/68/35/49/376683549.db2.gz ZLYMUJCPXSTJPG-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000562958235 377061877 /nfs/dbraw/zinc/06/18/77/377061877.db2.gz MJFXKTGLJAKMEH-HNNXBMFYSA-N 1 3 341.500 -0.474 20 0 EBADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCOCC3=O)CC2)CC1 ZINC000363946153 377517662 /nfs/dbraw/zinc/51/76/62/377517662.db2.gz MJSGQFFSZNAYQA-UHFFFAOYSA-N 1 3 338.452 -0.480 20 0 EBADHO CCOC(=O)C1([C@@H](C)NCC(=O)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000591570680 377722043 /nfs/dbraw/zinc/72/20/43/377722043.db2.gz AGDIJZVQJJMLNK-CQSZACIVSA-N 1 3 340.468 -0.329 20 0 EBADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)CC1 ZINC000593906108 377921028 /nfs/dbraw/zinc/92/10/28/377921028.db2.gz RGBHDFGSEKAUDU-BQFCYCMXSA-N 1 3 336.480 -0.151 20 0 EBADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595274734 377988105 /nfs/dbraw/zinc/98/81/05/377988105.db2.gz URQVIHUOKWBYDP-KBPBESRZSA-N 1 3 325.457 -0.082 20 0 EBADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595274734 377988109 /nfs/dbraw/zinc/98/81/09/377988109.db2.gz URQVIHUOKWBYDP-KBPBESRZSA-N 1 3 325.457 -0.082 20 0 EBADHO C[NH+](C)C1CCN(CCNC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000636987970 378454062 /nfs/dbraw/zinc/45/40/62/378454062.db2.gz RNKUHXOBMLWCEV-HNNXBMFYSA-N 1 3 327.473 -0.622 20 0 EBADHO CNC(=O)NC(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000337651870 378672384 /nfs/dbraw/zinc/67/23/84/378672384.db2.gz BQLVVBQRJVCXHI-UHFFFAOYSA-N 1 3 327.429 -0.778 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000339575056 378947805 /nfs/dbraw/zinc/94/78/05/378947805.db2.gz DXDPMLVUOUYYPA-UHFFFAOYSA-N 1 3 341.500 -0.460 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000629790990 379136167 /nfs/dbraw/zinc/13/61/67/379136167.db2.gz OYCOUMGNGCXIQK-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO CCN(CCN)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000629800744 379144044 /nfs/dbraw/zinc/14/40/44/379144044.db2.gz AFBIYYGJRNDHFA-UHFFFAOYSA-N 1 3 328.457 -0.247 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000629802552 379146689 /nfs/dbraw/zinc/14/66/89/379146689.db2.gz JDRRRCZWUIJDSZ-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000629806366 379150744 /nfs/dbraw/zinc/15/07/44/379150744.db2.gz WHWWAZPWXKGAFQ-AWEZNQCLSA-N 1 3 338.452 -0.351 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000629815462 379155276 /nfs/dbraw/zinc/15/52/76/379155276.db2.gz ALNNJPPYAVWOBG-QGZVFWFLSA-N 1 3 340.468 -0.375 20 0 EBADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458447932 379223449 /nfs/dbraw/zinc/22/34/49/379223449.db2.gz XBPWZGXCGSYJBQ-CABCVRRESA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458447932 379223465 /nfs/dbraw/zinc/22/34/65/379223465.db2.gz XBPWZGXCGSYJBQ-CABCVRRESA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312325 379304308 /nfs/dbraw/zinc/30/43/08/379304308.db2.gz WICZWNNGFDQPFB-ZNMIVQPWSA-N 1 3 342.484 -0.049 20 0 EBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000269297649 379358982 /nfs/dbraw/zinc/35/89/82/379358982.db2.gz ORSLKOYNAYIXQQ-CVEARBPZSA-N 1 3 333.436 -0.567 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621845677 379368563 /nfs/dbraw/zinc/36/85/63/379368563.db2.gz NMYXWHXASVVQKQ-CZUORRHYSA-N 1 3 326.441 -0.589 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028715 379399851 /nfs/dbraw/zinc/39/98/51/379399851.db2.gz VBNFFHAKAMWEQJ-CZUORRHYSA-N 1 3 326.441 -0.637 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN[C@@H]1C[C@@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801189 379472044 /nfs/dbraw/zinc/47/20/44/379472044.db2.gz AYPLDQRYPBCKMS-GHMZBOCLSA-N 1 3 334.424 -0.461 20 0 EBADHO CO[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488036759 379509373 /nfs/dbraw/zinc/50/93/73/379509373.db2.gz SQZFZCGNEGYIDJ-GEEKYZPCSA-N 1 3 332.441 -0.306 20 0 EBADHO CO[C@@H]1CN(CCOCC[N@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488036759 379509380 /nfs/dbraw/zinc/50/93/80/379509380.db2.gz SQZFZCGNEGYIDJ-GEEKYZPCSA-N 1 3 332.441 -0.306 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)CN1CCN(C)CC1 ZINC000627398620 379583360 /nfs/dbraw/zinc/58/33/60/379583360.db2.gz QXKDDAGXJPKJGU-QLFBSQMISA-N 1 3 339.484 -0.757 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627425354 379593676 /nfs/dbraw/zinc/59/36/76/379593676.db2.gz NANVOIRDMYMLKI-KBPBESRZSA-N 1 3 326.441 -0.399 20 0 EBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627429025 379594495 /nfs/dbraw/zinc/59/44/95/379594495.db2.gz VGFQEVXFHXXQBE-CQSZACIVSA-N 1 3 328.457 -0.343 20 0 EBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452410 379603597 /nfs/dbraw/zinc/60/35/97/379603597.db2.gz JYIRAGMBZBMELN-LBPRGKRZSA-N 1 3 326.441 -0.401 20 0 EBADHO CN(C)Cc1cccc(CNC(=O)C(=O)N(C)CCOCC[NH3+])c1 ZINC000627377248 379571821 /nfs/dbraw/zinc/57/18/21/379571821.db2.gz CQQDSCARPIYHDN-UHFFFAOYSA-N 1 3 336.436 -0.202 20 0 EBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[NH2+]1 ZINC000627483779 379631451 /nfs/dbraw/zinc/63/14/51/379631451.db2.gz LBCGHIRMEBZORP-CABCVRRESA-N 1 3 339.484 -0.661 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000627461674 379610642 /nfs/dbraw/zinc/61/06/42/379610642.db2.gz WROVFXSEBBIDEB-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)O1)N(C)C ZINC000495014168 379700150 /nfs/dbraw/zinc/70/01/50/379700150.db2.gz BVWBNCJDWGTBBD-MQYQWHSLSA-N 1 3 328.457 -0.333 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CN(c2ccncn2)C1 ZINC000637714837 379680781 /nfs/dbraw/zinc/68/07/81/379680781.db2.gz PETPABMFWACVLW-UHFFFAOYSA-N 1 3 335.456 -0.200 20 0 EBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000626978731 379770707 /nfs/dbraw/zinc/77/07/07/379770707.db2.gz JWBCRAVHRVVIRN-KGLIPLIRSA-N 1 3 325.457 -0.558 20 0 EBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000626978731 379770714 /nfs/dbraw/zinc/77/07/14/379770714.db2.gz JWBCRAVHRVVIRN-KGLIPLIRSA-N 1 3 325.457 -0.558 20 0 EBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000626978731 379770722 /nfs/dbraw/zinc/77/07/22/379770722.db2.gz JWBCRAVHRVVIRN-KGLIPLIRSA-N 1 3 325.457 -0.558 20 0 EBADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)NC1C[NH2+]C1 ZINC000642344760 379829266 /nfs/dbraw/zinc/82/92/66/379829266.db2.gz IYLDQVAFSKTXHZ-UHFFFAOYSA-N 1 3 340.493 -0.058 20 0 EBADHO CN(C(=O)NC[C@H]1COCCN1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190185 379827972 /nfs/dbraw/zinc/82/79/72/379827972.db2.gz YCUKNGHDBUFCBI-GOEBONIOSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@H]1COCCN1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627190185 379827981 /nfs/dbraw/zinc/82/79/81/379827981.db2.gz YCUKNGHDBUFCBI-GOEBONIOSA-N 1 3 339.484 -0.215 20 0 EBADHO CN(C(=O)NC[C@H]1COCCN1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627190185 379827989 /nfs/dbraw/zinc/82/79/89/379827989.db2.gz YCUKNGHDBUFCBI-GOEBONIOSA-N 1 3 339.484 -0.215 20 0 EBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633556916 379962879 /nfs/dbraw/zinc/96/28/79/379962879.db2.gz XTJXSAWQDLBAJN-ZDUSSCGKSA-N 1 3 336.440 -0.363 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000614855303 379998417 /nfs/dbraw/zinc/99/84/17/379998417.db2.gz XAXVKNSBYUQCGN-SOUVJXGZSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000614855303 379998427 /nfs/dbraw/zinc/99/84/27/379998427.db2.gz XAXVKNSBYUQCGN-SOUVJXGZSA-N 1 3 340.468 -0.642 20 0 EBADHO CCc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000130601257 380062260 /nfs/dbraw/zinc/06/22/60/380062260.db2.gz YXJQQHUJRPUSEN-UHFFFAOYSA-N 1 3 338.456 -0.127 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000545885353 380097998 /nfs/dbraw/zinc/09/79/98/380097998.db2.gz KSTOXIZMTLIOPA-QGZVFWFLSA-N 1 3 340.468 -0.003 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000545879423 380100757 /nfs/dbraw/zinc/10/07/57/380100757.db2.gz ICCBZMHZBWMREV-MSOLQXFVSA-N 1 3 333.432 -0.194 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000545879423 380100764 /nfs/dbraw/zinc/10/07/64/380100764.db2.gz ICCBZMHZBWMREV-MSOLQXFVSA-N 1 3 333.432 -0.194 20 0 EBADHO CNC(=O)N[C@@H]1CCN(CCCC[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000546638367 380116769 /nfs/dbraw/zinc/11/67/69/380116769.db2.gz OMBMXLPAZDUGHJ-ZIAGYGMSSA-N 1 3 340.472 -0.227 20 0 EBADHO CNC(=O)N[C@@H]1CCN(CCCC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000546638367 380116777 /nfs/dbraw/zinc/11/67/77/380116777.db2.gz OMBMXLPAZDUGHJ-ZIAGYGMSSA-N 1 3 340.472 -0.227 20 0 EBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000638097555 380130629 /nfs/dbraw/zinc/13/06/29/380130629.db2.gz FYOIFUHKPHCHIZ-RHSMWYFYSA-N 1 3 338.452 -0.480 20 0 EBADHO [NH3+]C[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCOC1 ZINC000638099275 380132431 /nfs/dbraw/zinc/13/24/31/380132431.db2.gz RPSLPTYYZMYWJK-QGZVFWFLSA-N 1 3 338.452 -0.492 20 0 EBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000638114302 380161708 /nfs/dbraw/zinc/16/17/08/380161708.db2.gz YMJSMFQLIQMFCW-RHSMWYFYSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)CN1CCN(C)CC1 ZINC000551485038 380266128 /nfs/dbraw/zinc/26/61/28/380266128.db2.gz KGVPCIBYAZPHEK-OAHLLOKOSA-N 1 3 341.500 -0.604 20 0 EBADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538421 380424123 /nfs/dbraw/zinc/42/41/23/380424123.db2.gz SRWXIXVPIKXAKO-MEBBXXQBSA-N 1 3 337.428 -0.315 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000566058806 380443571 /nfs/dbraw/zinc/44/35/71/380443571.db2.gz WUIXQTNAEXGAOW-CQSZACIVSA-N 1 3 325.457 -0.922 20 0 EBADHO CN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000566058806 380443574 /nfs/dbraw/zinc/44/35/74/380443574.db2.gz WUIXQTNAEXGAOW-CQSZACIVSA-N 1 3 325.457 -0.922 20 0 EBADHO CC[C@@H](CO)N1CCN(C(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000340274311 380400588 /nfs/dbraw/zinc/40/05/88/380400588.db2.gz WKDQGGZPAIJHQJ-INIZCTEOSA-N 1 3 326.485 -0.071 20 0 EBADHO CCN1CCN([C@@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563636 380411981 /nfs/dbraw/zinc/41/19/81/380411981.db2.gz AXOJSFGEUSUOBJ-LSDHHAIUSA-N 1 3 349.483 -0.042 20 0 EBADHO CCN1CCN(CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000362565444 380412054 /nfs/dbraw/zinc/41/20/54/380412054.db2.gz UHVXZRVNDAEPRQ-HNNXBMFYSA-N 1 3 349.483 -0.040 20 0 EBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000567385440 380515720 /nfs/dbraw/zinc/51/57/20/380515720.db2.gz COHDATOKPCZBJA-STQMWFEESA-N 1 3 328.457 -0.202 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H](CN)C1 ZINC000567604249 380530372 /nfs/dbraw/zinc/53/03/72/380530372.db2.gz CYPHQOHKSASMBU-HNNXBMFYSA-N 1 3 339.484 -0.722 20 0 EBADHO COC1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000567650459 380533265 /nfs/dbraw/zinc/53/32/65/380533265.db2.gz FBVJGULVWUDXDN-UHFFFAOYSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660690 380565681 /nfs/dbraw/zinc/56/56/81/380565681.db2.gz IBNLZDWVEFJAMJ-GJZGRUSLSA-N 1 3 340.468 -0.199 20 0 EBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCn3ncnn3)CC2)CC1 ZINC000568105113 380574706 /nfs/dbraw/zinc/57/47/06/380574706.db2.gz OYAYHIRYIAEFJI-UHFFFAOYSA-N 1 3 335.456 -0.014 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000569240899 380635234 /nfs/dbraw/zinc/63/52/34/380635234.db2.gz XTYQPQLINBMLBB-HUUCEWRRSA-N 1 3 329.489 -0.199 20 0 EBADHO C[C@H]1CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000573234665 380665360 /nfs/dbraw/zinc/66/53/60/380665360.db2.gz DUHNFVMMZQSGRL-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000574278765 380706963 /nfs/dbraw/zinc/70/69/63/380706963.db2.gz DDYCFNBNQLRXJQ-BPUTZDHNSA-N 1 3 340.468 -0.169 20 0 EBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000574324316 380708552 /nfs/dbraw/zinc/70/85/52/380708552.db2.gz XGUIWFCSEFJKHX-KGLIPLIRSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CO)C1 ZINC000576325353 380766466 /nfs/dbraw/zinc/76/64/66/380766466.db2.gz JKIZRQANWYUGCH-AWEZNQCLSA-N 1 3 328.457 -0.831 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000341721161 380730166 /nfs/dbraw/zinc/73/01/66/380730166.db2.gz JMRGRTAMYOQQTI-ZDUSSCGKSA-N 1 3 337.472 -0.494 20 0 EBADHO COCCN(C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175719868 380768693 /nfs/dbraw/zinc/76/86/93/380768693.db2.gz DXAYBQLNUGJVLR-UHFFFAOYSA-N 1 3 329.489 -0.110 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575984458 380752667 /nfs/dbraw/zinc/75/26/67/380752667.db2.gz VLEUSCCMPQCUGD-KGLIPLIRSA-N 1 3 336.440 -0.129 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000627409431 380773657 /nfs/dbraw/zinc/77/36/57/380773657.db2.gz CINYBPUPFDKOPQ-CQSZACIVSA-N 1 3 340.468 -0.199 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1CCCCN1CCO ZINC000418291301 380829547 /nfs/dbraw/zinc/82/95/47/380829547.db2.gz VQAAPTMVMIPAFF-OAHLLOKOSA-N 1 3 327.473 -0.572 20 0 EBADHO COC(=O)CNC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180937971 380925523 /nfs/dbraw/zinc/92/55/23/380925523.db2.gz AEDSJTKTGGYTED-ZDUSSCGKSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000578152028 380905510 /nfs/dbraw/zinc/90/55/10/380905510.db2.gz DYOLWMDLEKVCMY-ZDUSSCGKSA-N 1 3 337.472 -0.496 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000578152028 380905523 /nfs/dbraw/zinc/90/55/23/380905523.db2.gz DYOLWMDLEKVCMY-ZDUSSCGKSA-N 1 3 337.472 -0.496 20 0 EBADHO CS[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000563794279 380951970 /nfs/dbraw/zinc/95/19/70/380951970.db2.gz OBTSCDGKDFDLEJ-ZDUSSCGKSA-N 1 3 330.498 -0.098 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000578878160 380958374 /nfs/dbraw/zinc/95/83/74/380958374.db2.gz MLNKWUHTEHQIHV-HUUCEWRRSA-N 1 3 338.452 -0.351 20 0 EBADHO C[C@@H](NC(=O)CNC[C@@H]1CCCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000579107687 380970192 /nfs/dbraw/zinc/97/01/92/380970192.db2.gz SXPBPJCSBBZAQQ-CABCVRRESA-N 1 3 340.468 -0.138 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000579175740 380974670 /nfs/dbraw/zinc/97/46/70/380974670.db2.gz ZDHOXXGUJJUTKE-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000579175741 380975371 /nfs/dbraw/zinc/97/53/71/380975371.db2.gz ZDHOXXGUJJUTKE-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC000376757280 380932878 /nfs/dbraw/zinc/93/28/78/380932878.db2.gz HEZTZOXFTTXAJY-LLVKDONJSA-N 1 3 346.357 -0.379 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670126 380945415 /nfs/dbraw/zinc/94/54/15/380945415.db2.gz ZFJJJMMDQWFADE-HZPDHXFCSA-N 1 3 328.416 -0.241 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCCS1(=O)=O ZINC000617504658 381035466 /nfs/dbraw/zinc/03/54/66/381035466.db2.gz DPDALUQJEFFAGZ-ZDUSSCGKSA-N 1 3 334.486 -0.590 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCCS1(=O)=O ZINC000617504658 381035473 /nfs/dbraw/zinc/03/54/73/381035473.db2.gz DPDALUQJEFFAGZ-ZDUSSCGKSA-N 1 3 334.486 -0.590 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000642439535 381094038 /nfs/dbraw/zinc/09/40/38/381094038.db2.gz LADPABPFGZUFNP-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418385221 381120167 /nfs/dbraw/zinc/12/01/67/381120167.db2.gz KFVHLWLOZWECQF-AWEZNQCLSA-N 1 3 325.457 -0.209 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418393756 381123946 /nfs/dbraw/zinc/12/39/46/381123946.db2.gz YKEALYCHKWNQHJ-KGLIPLIRSA-N 1 3 325.457 -0.082 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000583746991 381132530 /nfs/dbraw/zinc/13/25/30/381132530.db2.gz JRRJSQRPQFYMPG-KGLIPLIRSA-N 1 3 327.473 -0.866 20 0 EBADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)NC[C@@H]1C[NH2+]CCO1 ZINC000418763065 381263788 /nfs/dbraw/zinc/26/37/88/381263788.db2.gz JIRNRMQVUQVMLV-SJORKVTESA-N 1 3 348.447 -0.307 20 0 EBADHO O=C(CNC(=O)NC[C@@H]1CNCCO1)NCC[NH+]1CCCCCC1 ZINC000418765003 381264063 /nfs/dbraw/zinc/26/40/63/381264063.db2.gz LELJBNZPFFPDPV-AWEZNQCLSA-N 1 3 341.456 -0.734 20 0 EBADHO C[C@H](C[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418525434 381247314 /nfs/dbraw/zinc/24/73/14/381247314.db2.gz OKARFHNMSKHBID-HIFRSBDPSA-N 1 3 335.452 -0.078 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000633149960 381293261 /nfs/dbraw/zinc/29/32/61/381293261.db2.gz XYHYAKJOLAFTFR-ZIAGYGMSSA-N 1 3 325.457 -0.970 20 0 EBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478808 381328669 /nfs/dbraw/zinc/32/86/69/381328669.db2.gz HOLZYQZZNSKIMO-AWEZNQCLSA-N 1 3 331.420 -0.059 20 0 EBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCCCCC1 ZINC000418897021 381335198 /nfs/dbraw/zinc/33/51/98/381335198.db2.gz GSRBVLGLTURGIW-CQSZACIVSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419028049 381355203 /nfs/dbraw/zinc/35/52/03/381355203.db2.gz PTILXXJGEKKOHI-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419028049 381355212 /nfs/dbraw/zinc/35/52/12/381355212.db2.gz PTILXXJGEKKOHI-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO NCCN(CCO)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419020587 381355728 /nfs/dbraw/zinc/35/57/28/381355728.db2.gz SFQQBCRTEJVJHK-UHFFFAOYSA-N 1 3 348.447 -0.322 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419028028 381355844 /nfs/dbraw/zinc/35/58/44/381355844.db2.gz PRKYDZAYNWXUSR-ZNMIVQPWSA-N 1 3 342.484 -0.179 20 0 EBADHO COCCNCCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419028028 381355849 /nfs/dbraw/zinc/35/58/49/381355849.db2.gz PRKYDZAYNWXUSR-ZNMIVQPWSA-N 1 3 342.484 -0.179 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419083945 381364194 /nfs/dbraw/zinc/36/41/94/381364194.db2.gz XTIXPMMNUAEKMB-GJZGRUSLSA-N 1 3 340.468 -0.138 20 0 EBADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419125718 381385980 /nfs/dbraw/zinc/38/59/80/381385980.db2.gz UQTZVYXXPXZBFZ-KGLIPLIRSA-N 1 3 326.441 -0.528 20 0 EBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)CC(C)C ZINC000419128002 381388466 /nfs/dbraw/zinc/38/84/66/381388466.db2.gz UNFAPLLLSBMHRV-LSDHHAIUSA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419145990 381397395 /nfs/dbraw/zinc/39/73/95/381397395.db2.gz HCEYUCKGKUHRNS-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000419196441 381398021 /nfs/dbraw/zinc/39/80/21/381398021.db2.gz AZLXRBLGKNVVDC-AWEZNQCLSA-N 1 3 334.420 -0.197 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000348763497 381400708 /nfs/dbraw/zinc/40/07/08/381400708.db2.gz NNCCONJHLNTHPU-AWEZNQCLSA-N 1 3 340.468 -0.210 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000348763497 381400714 /nfs/dbraw/zinc/40/07/14/381400714.db2.gz NNCCONJHLNTHPU-AWEZNQCLSA-N 1 3 340.468 -0.210 20 0 EBADHO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419223793 381401889 /nfs/dbraw/zinc/40/18/89/381401889.db2.gz DPSLWZYNQDRDLW-AWEZNQCLSA-N 1 3 326.441 -0.853 20 0 EBADHO CO[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419412654 381429451 /nfs/dbraw/zinc/42/94/51/381429451.db2.gz RCXFQHKYWJNFJX-SOUVJXGZSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(CCN)CCO)C1 ZINC000419488050 381445214 /nfs/dbraw/zinc/44/52/14/381445214.db2.gz ZVUNUZTVOXUBRK-GJZGRUSLSA-N 1 3 342.484 -0.360 20 0 EBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419692464 381473074 /nfs/dbraw/zinc/47/30/74/381473074.db2.gz GRTIWEXIIMAUDV-GJZGRUSLSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419699062 381475310 /nfs/dbraw/zinc/47/53/10/381475310.db2.gz QQQQDAJYHKQLKV-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419699062 381475314 /nfs/dbraw/zinc/47/53/14/381475314.db2.gz QQQQDAJYHKQLKV-HUUCEWRRSA-N 1 3 340.468 -0.282 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419595371 381462272 /nfs/dbraw/zinc/46/22/72/381462272.db2.gz WIYMMNWSLFLOAT-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419672935 381468683 /nfs/dbraw/zinc/46/86/83/381468683.db2.gz GVOIJRNOWXZBPZ-UONOGXRCSA-N 1 3 328.457 -0.201 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633695 381470558 /nfs/dbraw/zinc/47/05/58/381470558.db2.gz ZJDJIBQYUXOFAQ-OUCADQQQSA-N 1 3 338.452 -0.018 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000419633695 381470565 /nfs/dbraw/zinc/47/05/65/381470565.db2.gz ZJDJIBQYUXOFAQ-OUCADQQQSA-N 1 3 338.452 -0.018 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419842022 381503970 /nfs/dbraw/zinc/50/39/70/381503970.db2.gz LCCJSOREBLBHHB-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419842020 381504820 /nfs/dbraw/zinc/50/48/20/381504820.db2.gz LCCJSOREBLBHHB-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO C[NH2+]CCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419862386 381510577 /nfs/dbraw/zinc/51/05/77/381510577.db2.gz BJHCCZPQRTXERY-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419895456 381519086 /nfs/dbraw/zinc/51/90/86/381519086.db2.gz XFQLEULNEHMYEX-LBPRGKRZSA-N 1 3 333.392 -0.783 20 0 EBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1CN ZINC000419785603 381495281 /nfs/dbraw/zinc/49/52/81/381495281.db2.gz SPJUOOXVLMJTNP-HZSPNIEDSA-N 1 3 328.457 -0.202 20 0 EBADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420145410 381544881 /nfs/dbraw/zinc/54/48/81/381544881.db2.gz OVSYZRYWXUVYSI-ZIAGYGMSSA-N 1 3 339.484 -0.663 20 0 EBADHO CN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691383 381592463 /nfs/dbraw/zinc/59/24/63/381592463.db2.gz MGQYXCXXQZBBJP-ZIAGYGMSSA-N 1 3 325.457 -0.033 20 0 EBADHO CN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000608691383 381592470 /nfs/dbraw/zinc/59/24/70/381592470.db2.gz MGQYXCXXQZBBJP-ZIAGYGMSSA-N 1 3 325.457 -0.033 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000571744968 381617923 /nfs/dbraw/zinc/61/79/23/381617923.db2.gz BEMQGNSGVMDKKV-HOTGVXAUSA-N 1 3 339.484 -0.214 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000167406341 381624661 /nfs/dbraw/zinc/62/46/61/381624661.db2.gz BDTGKVQMQIFSDE-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351527357 381637809 /nfs/dbraw/zinc/63/78/09/381637809.db2.gz ZUOAPUJCXJFLOO-LSDHHAIUSA-N 1 3 339.484 -0.756 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333467858 381924510 /nfs/dbraw/zinc/92/45/10/381924510.db2.gz AKNSUZOSKNEVHW-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000643509778 381928803 /nfs/dbraw/zinc/92/88/03/381928803.db2.gz SPRKBGOXTSMCCJ-CABCVRRESA-N 1 3 341.500 -0.476 20 0 EBADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CNCCO2)C1 ZINC000333128684 381893672 /nfs/dbraw/zinc/89/36/72/381893672.db2.gz ARINZMNSRHAGJP-SOUVJXGZSA-N 1 3 326.441 -0.131 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000333774005 381956557 /nfs/dbraw/zinc/95/65/57/381956557.db2.gz CNBNYDPIBOYDBL-GJZGRUSLSA-N 1 3 337.468 -0.066 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333774003 381957513 /nfs/dbraw/zinc/95/75/13/381957513.db2.gz CNBNYDPIBOYDBL-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000333827296 381961842 /nfs/dbraw/zinc/96/18/42/381961842.db2.gz LWBKYJQPDKVGNZ-ILXRZTDVSA-N 1 3 337.468 -0.068 20 0 EBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000333712890 381953278 /nfs/dbraw/zinc/95/32/78/381953278.db2.gz SOWJXNTWFRBOFS-KFWWJZLASA-N 1 3 337.468 -0.068 20 0 EBADHO O[C@@H](CN[C@@H]1CCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562682 382225649 /nfs/dbraw/zinc/22/56/49/382225649.db2.gz CGLXLRDQTHBSCC-SJORKVTESA-N 1 3 326.485 -0.561 20 0 EBADHO O[C@@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)CN1CCCC1 ZINC000629562682 382225656 /nfs/dbraw/zinc/22/56/56/382225656.db2.gz CGLXLRDQTHBSCC-SJORKVTESA-N 1 3 326.485 -0.561 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000328991565 155200992 /nfs/dbraw/zinc/20/09/92/155200992.db2.gz DHGFGONVBDEERM-JKSUJKDBSA-N 1 3 349.479 -0.859 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000328991565 155200997 /nfs/dbraw/zinc/20/09/97/155200997.db2.gz DHGFGONVBDEERM-JKSUJKDBSA-N 1 3 349.479 -0.859 20 0 EBADHO CN1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[C@H]2C1 ZINC000329196531 155210123 /nfs/dbraw/zinc/21/01/23/155210123.db2.gz TUPBITXLAYXVRC-ILXRZTDVSA-N 1 3 338.452 -0.672 20 0 EBADHO CC1(C)NC(=O)N(CCN2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000261708726 154198314 /nfs/dbraw/zinc/19/83/14/154198314.db2.gz KXHHNGZAPJGDGA-LLVKDONJSA-N 1 3 325.413 -0.896 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262459358 154231616 /nfs/dbraw/zinc/23/16/16/154231616.db2.gz VPTZWFLNGGSVFE-SJORKVTESA-N 1 3 332.448 -0.227 20 0 EBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000263279294 154256810 /nfs/dbraw/zinc/25/68/10/154256810.db2.gz ZOTZBNHMZZOCQO-INIZCTEOSA-N 1 3 340.468 -0.343 20 0 EBADHO COCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000345521864 156340696 /nfs/dbraw/zinc/34/06/96/156340696.db2.gz LWNVETDYJZGMRF-KBPBESRZSA-N 1 3 326.441 -0.767 20 0 EBADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)O1 ZINC000346229218 156391274 /nfs/dbraw/zinc/39/12/74/156391274.db2.gz RUIMGVCGOHATGB-CRWXNKLISA-N 1 3 328.457 -0.333 20 0 EBADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H](C)CN(C)C)O1 ZINC000346229218 156391277 /nfs/dbraw/zinc/39/12/77/156391277.db2.gz RUIMGVCGOHATGB-CRWXNKLISA-N 1 3 328.457 -0.333 20 0 EBADHO COC[C@@]1(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCC[NH2+]1 ZINC000357256273 157130558 /nfs/dbraw/zinc/13/05/58/157130558.db2.gz KCRCCYLLVYHBET-BBRMVZONSA-N 1 3 326.441 -0.719 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357579522 157155033 /nfs/dbraw/zinc/15/50/33/157155033.db2.gz PDHVGXAOXAPJKF-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357579522 157155037 /nfs/dbraw/zinc/15/50/37/157155037.db2.gz PDHVGXAOXAPJKF-KBPBESRZSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000357933995 157188747 /nfs/dbraw/zinc/18/87/47/157188747.db2.gz RYAUEBIQENTNTM-LSDHHAIUSA-N 1 3 334.420 -0.683 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000358702366 157272374 /nfs/dbraw/zinc/27/23/74/157272374.db2.gz JNUHNWBETZSWCM-INMHGKMJSA-N 1 3 340.468 -0.270 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000360274651 157370869 /nfs/dbraw/zinc/37/08/69/157370869.db2.gz ZERQOKLHLHEWSL-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000360274651 157370871 /nfs/dbraw/zinc/37/08/71/157370871.db2.gz ZERQOKLHLHEWSL-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278390 157372277 /nfs/dbraw/zinc/37/22/77/157372277.db2.gz IWAYSNNMKUCPAS-JSGCOSHPSA-N 1 3 326.441 -0.720 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653115122 418989737 /nfs/dbraw/zinc/98/97/37/418989737.db2.gz DBCPOEJSDKNBEX-ZIAGYGMSSA-N 1 3 327.473 -0.676 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[NH2+]CC2)cn1 ZINC000653122096 418991140 /nfs/dbraw/zinc/99/11/40/418991140.db2.gz LJZPYDHTLJSITC-ZDUSSCGKSA-N 1 3 336.440 -0.111 20 0 EBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000647594778 419122061 /nfs/dbraw/zinc/12/20/61/419122061.db2.gz MNVNCCDPVDQNOO-LSDHHAIUSA-N 1 3 341.500 -0.238 20 0 EBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000647250972 419052971 /nfs/dbraw/zinc/05/29/71/419052971.db2.gz OVAPCXDHRXXJJY-CYBMUJFWSA-N 1 3 345.469 -0.590 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653261683 419058064 /nfs/dbraw/zinc/05/80/64/419058064.db2.gz VZJGKIQIRPWHTP-NYTXWWLZSA-N 1 3 340.468 -0.027 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652671855 419247045 /nfs/dbraw/zinc/24/70/45/419247045.db2.gz QLUGWRZQSWTEIA-YIYPIFLZSA-N 1 3 326.441 -0.593 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000652624067 419241888 /nfs/dbraw/zinc/24/18/88/419241888.db2.gz YUCRQZXTBNFLML-GXTWGEPZSA-N 1 3 334.424 -0.406 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000652622358 419242073 /nfs/dbraw/zinc/24/20/73/419242073.db2.gz IDAUVYLUZUHTSQ-INIZCTEOSA-N 1 3 334.424 -0.405 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)CC2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652729131 419322838 /nfs/dbraw/zinc/32/28/38/419322838.db2.gz SRQXGCCOHZFFIU-HUUCEWRRSA-N 1 3 340.468 -0.391 20 0 EBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340418333 419355515 /nfs/dbraw/zinc/35/55/15/419355515.db2.gz AJPYFDDTJNXBOK-IUODEOHRSA-N 1 3 330.498 -0.004 20 0 EBADHO O=C(COC1CC[NH2+]CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000520402563 419564097 /nfs/dbraw/zinc/56/40/97/419564097.db2.gz ZTMUSMIXMYSJOC-UHFFFAOYSA-N 1 3 338.452 -0.478 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348014519 419498756 /nfs/dbraw/zinc/49/87/56/419498756.db2.gz MXGOGBZVHGZXED-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348014519 419498762 /nfs/dbraw/zinc/49/87/62/419498762.db2.gz MXGOGBZVHGZXED-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659711604 419771932 /nfs/dbraw/zinc/77/19/32/419771932.db2.gz BCFLFMCDQSGXRT-OAHLLOKOSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420015167 419831989 /nfs/dbraw/zinc/83/19/89/419831989.db2.gz POZIZMJZCBGGCA-MCIONIFRSA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420018489 419832794 /nfs/dbraw/zinc/83/27/94/419832794.db2.gz POZIZMJZCBGGCA-IHRRRGAJSA-N 1 3 340.468 -0.202 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423202300 419923452 /nfs/dbraw/zinc/92/34/52/419923452.db2.gz AMVIRCVPUYMFKV-PBHICJAKSA-N 1 3 340.468 -0.247 20 0 EBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423209270 419923613 /nfs/dbraw/zinc/92/36/13/419923613.db2.gz IUUPWPVUZMXSQP-GJZGRUSLSA-N 1 3 339.484 -0.580 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCO1 ZINC000423226295 419925491 /nfs/dbraw/zinc/92/54/91/419925491.db2.gz QDZIARWSTTVXNU-GJZGRUSLSA-N 1 3 338.452 -0.351 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423262206 419927356 /nfs/dbraw/zinc/92/73/56/419927356.db2.gz MACJXGBKURXZCI-UHFFFAOYSA-N 1 3 340.468 -0.375 20 0 EBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000514795990 419973707 /nfs/dbraw/zinc/97/37/07/419973707.db2.gz LJFIWEZZHSKYOV-INIZCTEOSA-N 1 3 342.484 -0.835 20 0 EBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000514795990 419973713 /nfs/dbraw/zinc/97/37/13/419973713.db2.gz LJFIWEZZHSKYOV-INIZCTEOSA-N 1 3 342.484 -0.835 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236839309 420735065 /nfs/dbraw/zinc/73/50/65/420735065.db2.gz JFEXARWMLFOICR-OAHLLOKOSA-N 1 3 340.468 -0.232 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000656028041 420868028 /nfs/dbraw/zinc/86/80/28/420868028.db2.gz HPACJYJBQBCSHF-KFWWJZLASA-N 1 3 337.468 -0.779 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)COC1CCC([NH3+])CC1 ZINC000659356920 420996385 /nfs/dbraw/zinc/99/63/85/420996385.db2.gz AIIUWMHSQFHOPE-UHFFFAOYSA-N 1 3 328.457 -0.249 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659677067 421012655 /nfs/dbraw/zinc/01/26/55/421012655.db2.gz MOXQOEUZSYKSFP-CZUORRHYSA-N 1 3 348.447 -0.407 20 0 EBADHO CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659675868 421013420 /nfs/dbraw/zinc/01/34/20/421013420.db2.gz CHVCBAIAUWAHAJ-INIZCTEOSA-N 1 3 348.447 -0.323 20 0 EBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000659696008 421016907 /nfs/dbraw/zinc/01/69/07/421016907.db2.gz JSPRHZZKXJGIPR-CYBMUJFWSA-N 1 3 332.448 -0.074 20 0 EBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659739372 421026185 /nfs/dbraw/zinc/02/61/85/421026185.db2.gz RVDISRUAQMVCEO-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337634 421084944 /nfs/dbraw/zinc/08/49/44/421084944.db2.gz MKCJDQDKZAURQD-RHSMWYFYSA-N 1 3 336.484 -0.031 20 0 EBADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337633 421085499 /nfs/dbraw/zinc/08/54/99/421085499.db2.gz MKCJDQDKZAURQD-PBHICJAKSA-N 1 3 336.484 -0.031 20 0 EBADHO Cc1cccc(N2CCN(CCCNC(=O)C3(O)CNC3)CC2)c1 ZINC000662758823 421100044 /nfs/dbraw/zinc/10/00/44/421100044.db2.gz UJYYFWBGARKLFL-UHFFFAOYSA-N 1 3 332.448 -0.042 20 0 EBADHO CN(C)CCOC1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662933712 421112732 /nfs/dbraw/zinc/11/27/32/421112732.db2.gz YUPDPEQDIMYWMD-UHFFFAOYSA-N 1 3 328.457 -0.249 20 0 EBADHO [NH3+]CCOCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013674 421122869 /nfs/dbraw/zinc/12/28/69/421122869.db2.gz FPFWOEQWVKMZPS-ZDUSSCGKSA-N 1 3 336.440 -0.499 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1O ZINC000664005904 421144352 /nfs/dbraw/zinc/14/43/52/421144352.db2.gz DQEXNRYCRTZYQZ-GJZGRUSLSA-N 1 3 340.468 -0.052 20 0 EBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423722722 265038078 /nfs/dbraw/zinc/03/80/78/265038078.db2.gz PUTMRWXJXYDDEU-UONOGXRCSA-N 1 3 339.484 -0.581 20 0 EBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCc2nnnn2-c2ccccc2)C1 ZINC000430602646 265150341 /nfs/dbraw/zinc/15/03/41/265150341.db2.gz HMEOVSBTKPOBQV-CQSZACIVSA-N 1 3 343.435 -0.008 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C/C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738643 265211219 /nfs/dbraw/zinc/21/12/19/265211219.db2.gz OOCOXYONDDNGAZ-KVHJKKSTSA-N 1 3 332.448 -0.033 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C/C[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738643 265211221 /nfs/dbraw/zinc/21/12/21/265211221.db2.gz OOCOXYONDDNGAZ-KVHJKKSTSA-N 1 3 332.448 -0.033 20 0 EBADHO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCC[NH2+]CC1 ZINC000435621196 265228539 /nfs/dbraw/zinc/22/85/39/265228539.db2.gz JQILWKHOGSBVHB-ZDUSSCGKSA-N 1 3 348.451 -0.102 20 0 EBADHO Cn1cnc2c1c(=O)n(CCC[N@H+](C)[C@H]1CCCNCC1)c(=O)n2C ZINC000435621196 265228543 /nfs/dbraw/zinc/22/85/43/265228543.db2.gz JQILWKHOGSBVHB-ZDUSSCGKSA-N 1 3 348.451 -0.102 20 0 EBADHO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@H]1CCCNCC1)c(=O)n2C ZINC000435621196 265228545 /nfs/dbraw/zinc/22/85/45/265228545.db2.gz JQILWKHOGSBVHB-ZDUSSCGKSA-N 1 3 348.451 -0.102 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459896559 265471249 /nfs/dbraw/zinc/47/12/49/265471249.db2.gz NABGXXXENJXAHP-OAHLLOKOSA-N 1 3 342.484 -0.034 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677877655 546238295 /nfs/dbraw/zinc/23/82/95/546238295.db2.gz IYAWSAUMBRAUSW-CABCVRRESA-N 1 3 337.468 -0.920 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677877655 546238299 /nfs/dbraw/zinc/23/82/99/546238299.db2.gz IYAWSAUMBRAUSW-CABCVRRESA-N 1 3 337.468 -0.920 20 0 EBADHO O=C([C@H]1CN2CCN1CCC2)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115874 582721108 /nfs/dbraw/zinc/72/11/08/582721108.db2.gz WQLUMCGPJNCNNN-MRXNPFEDSA-N 1 3 336.480 -0.271 20 0 EBADHO OCCN(CCN1CCOCC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903738196 582816481 /nfs/dbraw/zinc/81/64/81/582816481.db2.gz ZEPBDTKQKNMSMH-INIZCTEOSA-N 1 3 327.469 -0.228 20 0 EBADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804053359 583638013 /nfs/dbraw/zinc/63/80/13/583638013.db2.gz JFFQBVHXEBJCQD-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842016252 584056347 /nfs/dbraw/zinc/05/63/47/584056347.db2.gz SNCCRTAODVBVRL-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO [NH3+]CCCCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000843259192 584074220 /nfs/dbraw/zinc/07/42/20/584074220.db2.gz LNVGOMVISUWMAW-UONOGXRCSA-N 1 3 326.441 -0.399 20 0 EBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000851684926 584198421 /nfs/dbraw/zinc/19/84/21/584198421.db2.gz NDSLLFPWVMUQKX-HZSPNIEDSA-N 1 3 326.441 -0.545 20 0 EBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000861732210 584335900 /nfs/dbraw/zinc/33/59/00/584335900.db2.gz KKULBKNTMHJKQX-CJNGLKHVSA-N 1 3 348.447 -0.325 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861741652 584336451 /nfs/dbraw/zinc/33/64/51/584336451.db2.gz UNLPKEUKNXTXNN-ZDUSSCGKSA-N 1 3 328.457 -0.202 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000863769263 584377930 /nfs/dbraw/zinc/37/79/30/584377930.db2.gz VGINEADVDRHTHN-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CN1CCC(C[NH2+]C[C@H](O)CC(C)(C)O)(N2CCOCC2)CC1 ZINC000872209457 584460469 /nfs/dbraw/zinc/46/04/69/584460469.db2.gz KYHYXZNHZASUNL-OAHLLOKOSA-N 1 3 329.485 -0.106 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1CC(C[N@@H+]1C[C@@H](O)C[C@H]1CO)C1CCCC1 ZINC000878320198 584539941 /nfs/dbraw/zinc/53/99/41/584539941.db2.gz BSXBWLNFKIYMIT-XSLAGTTESA-N 1 3 342.480 -0.352 20 0 EBADHO OC[C@@H]1C[C@H](O)CN1CC(C[N@H+]1C[C@@H](O)C[C@H]1CO)C1CCCC1 ZINC000878320198 584539942 /nfs/dbraw/zinc/53/99/42/584539942.db2.gz BSXBWLNFKIYMIT-XSLAGTTESA-N 1 3 342.480 -0.352 20 0 EBADHO C[Si](C)(CCN1CC[C@@H](O)[C@@H](O)C1)CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608659 584554925 /nfs/dbraw/zinc/55/49/25/584554925.db2.gz QXHMYWMWOLXEMQ-WCVJEAGWSA-N 1 3 346.544 -0.450 20 0 EBADHO C[Si](C)(CCN1CC[C@@H](O)[C@@H](O)C1)CC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608659 584554927 /nfs/dbraw/zinc/55/49/27/584554927.db2.gz QXHMYWMWOLXEMQ-WCVJEAGWSA-N 1 3 346.544 -0.450 20 0 EBADHO NCCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883604487 584603121 /nfs/dbraw/zinc/60/31/21/584603121.db2.gz YEBOSYGJIOGLIU-OAHLLOKOSA-N 1 3 331.420 -0.016 20 0 EBADHO NCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883604487 584603123 /nfs/dbraw/zinc/60/31/23/584603123.db2.gz YEBOSYGJIOGLIU-OAHLLOKOSA-N 1 3 331.420 -0.016 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000883640743 584603992 /nfs/dbraw/zinc/60/39/92/584603992.db2.gz XQYODFVNCSOLKJ-VNHYZAJKSA-N 1 3 331.420 -0.076 20 0 EBADHO CN1CCN(CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884233671 584619744 /nfs/dbraw/zinc/61/97/44/584619744.db2.gz UXHFQQIBZDABTB-UHFFFAOYSA-N 1 3 346.479 -0.142 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000884507943 584625117 /nfs/dbraw/zinc/62/51/17/584625117.db2.gz QFTGOZULBKKSSW-CHWSQXEVSA-N 1 3 325.457 -0.923 20 0 EBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000884560146 584627550 /nfs/dbraw/zinc/62/75/50/584627550.db2.gz OILIPVQMGOISRT-QLFBSQMISA-N 1 3 338.452 -0.434 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884662803 584632360 /nfs/dbraw/zinc/63/23/60/584632360.db2.gz YOCJCQRATIESJQ-KRWDZBQOSA-N 1 3 342.484 -0.096 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884656615 584632389 /nfs/dbraw/zinc/63/23/89/584632389.db2.gz NJQSIBPSEZGIQB-QWHCGFSZSA-N 1 3 340.468 -0.060 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884662804 584632422 /nfs/dbraw/zinc/63/24/22/584632422.db2.gz YOCJCQRATIESJQ-QGZVFWFLSA-N 1 3 342.484 -0.096 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000884670371 584632518 /nfs/dbraw/zinc/63/25/18/584632518.db2.gz XMHTUPILRWYXED-HUUCEWRRSA-N 1 3 339.484 -0.674 20 0 EBADHO CN1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CCC1(C)C ZINC000884676749 584633264 /nfs/dbraw/zinc/63/32/64/584633264.db2.gz WSLGOXYUKLUCDX-UHFFFAOYSA-N 1 3 339.484 -0.659 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1c1ccncc1 ZINC000884678948 584633839 /nfs/dbraw/zinc/63/38/39/584633839.db2.gz PWDGOFOCXBIGDI-SWLSCSKDSA-N 1 3 331.420 -0.028 20 0 EBADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884725706 584636271 /nfs/dbraw/zinc/63/62/71/584636271.db2.gz ULPNEVBWRIEQNI-OAHLLOKOSA-N 1 3 340.468 -0.282 20 0 EBADHO CCN(C(=O)C(=O)N1CCC(OCCN(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000887067857 584674661 /nfs/dbraw/zinc/67/46/61/584674661.db2.gz AHWQUBKLCKJTII-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000889745521 584688485 /nfs/dbraw/zinc/68/84/85/584688485.db2.gz VZASAEYBTIBNBR-ZOBUZTSGSA-N 1 3 325.453 -0.109 20 0 EBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000889745521 584688487 /nfs/dbraw/zinc/68/84/87/584688487.db2.gz VZASAEYBTIBNBR-ZOBUZTSGSA-N 1 3 325.453 -0.109 20 0 EBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904971981 650053527 /nfs/dbraw/zinc/05/35/27/650053527.db2.gz SHUBGCDPFMQSSI-UHFFFAOYSA-N 1 3 326.441 -0.495 20 0 EBADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904978787 650053997 /nfs/dbraw/zinc/05/39/97/650053997.db2.gz CZRFXNTUTGJVTH-UHFFFAOYSA-N 1 3 340.468 -0.103 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907458126 650083831 /nfs/dbraw/zinc/08/38/31/650083831.db2.gz YAZYMGNUNYPDLN-RDJZCZTQSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907458126 650083832 /nfs/dbraw/zinc/08/38/32/650083832.db2.gz YAZYMGNUNYPDLN-RDJZCZTQSA-N 1 3 326.485 -0.025 20 0 EBADHO C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CCN1CC(C)(C)O ZINC000907602023 650087393 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C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000971563269 725421754 /nfs/dbraw/zinc/42/17/54/725421754.db2.gz LRMWFQVMOQEPSR-QLFBSQMISA-N 1 3 337.468 -0.116 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000991618431 725488083 /nfs/dbraw/zinc/48/80/83/725488083.db2.gz MLBSCGSICCFYER-ZIAGYGMSSA-N 1 3 347.419 -0.874 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)CCN3CCNC3=O)C2)C1 ZINC000972336779 725500909 /nfs/dbraw/zinc/50/09/09/725500909.db2.gz ZTSKYRFOPOGDIZ-GJZGRUSLSA-N 1 3 337.468 -0.114 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)CCN3CCNC3=O)C2)C1 ZINC000972336779 725500910 /nfs/dbraw/zinc/50/09/10/725500910.db2.gz ZTSKYRFOPOGDIZ-GJZGRUSLSA-N 1 3 337.468 -0.114 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)cn1 ZINC000992022816 725703567 /nfs/dbraw/zinc/70/35/67/725703567.db2.gz MSDVZAXGEZWVHB-UHFFFAOYSA-N 1 3 348.451 -0.519 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 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ZINC001051857374 735430332 /nfs/dbraw/zinc/43/03/32/735430332.db2.gz GIVASKLZITUCJI-LSDHHAIUSA-N 1 3 338.452 -0.576 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178651 729091567 /nfs/dbraw/zinc/09/15/67/729091567.db2.gz ANKXNJKCSYTYBO-PWNZVWSESA-N 1 3 334.424 -0.585 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178651 729091569 /nfs/dbraw/zinc/09/15/69/729091569.db2.gz ANKXNJKCSYTYBO-PWNZVWSESA-N 1 3 334.424 -0.585 20 0 EBADHO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001022118945 729457111 /nfs/dbraw/zinc/45/71/11/729457111.db2.gz AYIUDVDCPDKZQY-QKPAOTATSA-N 1 3 333.436 -0.017 20 0 EBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001022715918 729524371 /nfs/dbraw/zinc/52/43/71/729524371.db2.gz ODJNMHYVZCTYHU-KFWWJZLASA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC[N@@H+]1C ZINC001025216024 730015612 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349.435 -0.628 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040105330 731601778 /nfs/dbraw/zinc/60/17/78/731601778.db2.gz YBNALLDVSJKPBZ-PBHICJAKSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040105330 731601779 /nfs/dbraw/zinc/60/17/79/731601779.db2.gz YBNALLDVSJKPBZ-PBHICJAKSA-N 1 3 340.468 -0.642 20 0 EBADHO CN(CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001040146381 731622144 /nfs/dbraw/zinc/62/21/44/731622144.db2.gz FUUJBZBQFRMTLR-KRWDZBQOSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001040902348 731911479 /nfs/dbraw/zinc/91/14/79/731911479.db2.gz RGVYXYCSMKNHLF-INIZCTEOSA-N 1 3 337.424 -0.626 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001040902348 731911480 /nfs/dbraw/zinc/91/14/80/731911480.db2.gz RGVYXYCSMKNHLF-INIZCTEOSA-N 1 3 337.424 -0.626 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 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/nfs/dbraw/zinc/50/05/46/733500546.db2.gz UZBPQKJSFFEVBP-VXGBXAGGSA-N 1 3 348.407 -0.527 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001046530846 733955271 /nfs/dbraw/zinc/95/52/71/733955271.db2.gz DQJMGTLFAZCSGR-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001046530846 733955272 /nfs/dbraw/zinc/95/52/72/733955272.db2.gz DQJMGTLFAZCSGR-AWEZNQCLSA-N 1 3 340.468 -0.498 20 0 EBADHO CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859777 738789659 /nfs/dbraw/zinc/78/96/59/738789659.db2.gz ORRWWLNSVCONRA-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907597 738810800 /nfs/dbraw/zinc/81/08/00/738810800.db2.gz KJWYWOIIJVRKHQ-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863793 734543489 /nfs/dbraw/zinc/54/34/89/734543489.db2.gz LFTGILVQHPNHIK-XUWVNRHRSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863793 734543491 /nfs/dbraw/zinc/54/34/91/734543491.db2.gz LFTGILVQHPNHIK-XUWVNRHRSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864382 734543874 /nfs/dbraw/zinc/54/38/74/734543874.db2.gz XNDLODNLWXOPQY-FZKCQIBNSA-N 1 3 334.464 -0.053 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)C1CC1 ZINC001048864382 734543878 /nfs/dbraw/zinc/54/38/78/734543878.db2.gz XNDLODNLWXOPQY-FZKCQIBNSA-N 1 3 334.464 -0.053 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863794 734543889 /nfs/dbraw/zinc/54/38/89/734543889.db2.gz LIOOUWHXPWONFS-CTASWTNQSA-N 1 3 348.447 -0.478 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863794 734543892 /nfs/dbraw/zinc/54/38/92/734543892.db2.gz LIOOUWHXPWONFS-CTASWTNQSA-N 1 3 348.447 -0.478 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1)N(C)C ZINC001049067334 734635082 /nfs/dbraw/zinc/63/50/82/734635082.db2.gz WLUPXKAQUATMIF-TWMKSMIVSA-N 1 3 349.479 -0.026 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1)N(C)C ZINC001049067334 734635083 /nfs/dbraw/zinc/63/50/83/734635083.db2.gz WLUPXKAQUATMIF-TWMKSMIVSA-N 1 3 349.479 -0.026 20 0 EBADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC001049348986 734713469 /nfs/dbraw/zinc/71/34/69/734713469.db2.gz FTOKQBNZBYIMRF-KBPBESRZSA-N 1 3 337.424 -0.676 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049609968 734765438 /nfs/dbraw/zinc/76/54/38/734765438.db2.gz ILCQBXIBUAPBDU-YLADIXGZSA-N 1 3 335.448 -0.093 20 0 EBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049609968 734765439 /nfs/dbraw/zinc/76/54/39/734765439.db2.gz ILCQBXIBUAPBDU-YLADIXGZSA-N 1 3 335.448 -0.093 20 0 EBADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CCO2)n[nH]1 ZINC001051616747 735268822 /nfs/dbraw/zinc/26/88/22/735268822.db2.gz LNUJBYQHTKWAFV-CABCVRRESA-N 1 3 348.451 -0.228 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632463 737371451 /nfs/dbraw/zinc/37/14/51/737371451.db2.gz PJPQMSRFEJZDDJ-CYBMUJFWSA-N 1 3 337.424 -0.851 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632463 737371456 /nfs/dbraw/zinc/37/14/56/737371456.db2.gz PJPQMSRFEJZDDJ-CYBMUJFWSA-N 1 3 337.424 -0.851 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001057636714 737376953 /nfs/dbraw/zinc/37/69/53/737376953.db2.gz XJUXUAABGJDDPM-HUUCEWRRSA-N 1 3 340.468 -0.783 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057636714 737376957 /nfs/dbraw/zinc/37/69/57/737376957.db2.gz XJUXUAABGJDDPM-HUUCEWRRSA-N 1 3 340.468 -0.783 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057739356 737427714 /nfs/dbraw/zinc/42/77/14/737427714.db2.gz WVYXEUSOKSFXOE-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739356 737427716 /nfs/dbraw/zinc/42/77/16/737427716.db2.gz WVYXEUSOKSFXOE-HUUCEWRRSA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057864359 737485808 /nfs/dbraw/zinc/48/58/08/737485808.db2.gz NZFNUKBAJLQKRJ-MRXNPFEDSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001057975474 737572721 /nfs/dbraw/zinc/57/27/21/737572721.db2.gz TUXLWASJKMIOBM-LSDHHAIUSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001057975474 737572722 /nfs/dbraw/zinc/57/27/22/737572722.db2.gz TUXLWASJKMIOBM-LSDHHAIUSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058158391 737681899 /nfs/dbraw/zinc/68/18/99/737681899.db2.gz XODODCLJGVCFPE-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058158391 737681901 /nfs/dbraw/zinc/68/19/01/737681901.db2.gz XODODCLJGVCFPE-OAHLLOKOSA-N 1 3 342.484 -0.393 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001058168747 737690954 /nfs/dbraw/zinc/69/09/54/737690954.db2.gz SYGHMBJULLBSEU-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001058168747 737690955 /nfs/dbraw/zinc/69/09/55/737690955.db2.gz SYGHMBJULLBSEU-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C ZINC001058237085 737727076 /nfs/dbraw/zinc/72/70/76/737727076.db2.gz QOPBBARIGPIFCR-UHFFFAOYSA-N 1 3 344.500 -0.003 20 0 EBADHO CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](CC)N(C)C ZINC001058252470 737735004 /nfs/dbraw/zinc/73/50/04/737735004.db2.gz LFXWKZSRINRLDL-HNNXBMFYSA-N 1 3 344.500 -0.004 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](CC)N(C)C ZINC001058252470 737735005 /nfs/dbraw/zinc/73/50/05/737735005.db2.gz LFXWKZSRINRLDL-HNNXBMFYSA-N 1 3 344.500 -0.004 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)N(C)C ZINC001058607646 737920073 /nfs/dbraw/zinc/92/00/73/737920073.db2.gz JIMNEVMUJFNQNG-INIZCTEOSA-N 1 3 344.500 -0.149 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)N(C)C ZINC001058607564 737920253 /nfs/dbraw/zinc/92/02/53/737920253.db2.gz FWPKHZHYFOZTCF-AWEZNQCLSA-N 1 3 330.473 -0.395 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001058846766 738027894 /nfs/dbraw/zinc/02/78/94/738027894.db2.gz FJSCVXVXEPYERS-CABCVRRESA-N 1 3 340.468 -0.783 20 0 EBADHO C[C@@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001058846766 738027898 /nfs/dbraw/zinc/02/78/98/738027898.db2.gz FJSCVXVXEPYERS-CABCVRRESA-N 1 3 340.468 -0.783 20 0 EBADHO CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001065301200 739636140 /nfs/dbraw/zinc/63/61/40/739636140.db2.gz QZCZUNJPDOQNPG-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065409695 739693963 /nfs/dbraw/zinc/69/39/63/739693963.db2.gz MWIBWNQTKYFXRG-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)N(C)C ZINC001065572205 739768550 /nfs/dbraw/zinc/76/85/50/739768550.db2.gz LEYAXYYUFYJNKG-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)N(C)C ZINC001065572206 739768738 /nfs/dbraw/zinc/76/87/38/739768738.db2.gz LEYAXYYUFYJNKG-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CN(CCCN(C)C(=O)CN1CCCC1)C(=O)COCC[NH+](C)C ZINC001067465874 740139806 /nfs/dbraw/zinc/13/98/06/740139806.db2.gz SFTHVMNGUWEBFZ-UHFFFAOYSA-N 1 3 342.484 -0.033 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069041262 740528622 /nfs/dbraw/zinc/52/86/22/740528622.db2.gz WEEBCGURMNNOOR-AWEZNQCLSA-N 1 3 349.435 -0.220 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001069041262 740528625 /nfs/dbraw/zinc/52/86/25/740528625.db2.gz WEEBCGURMNNOOR-AWEZNQCLSA-N 1 3 349.435 -0.220 20 0 EBADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209037 740749491 /nfs/dbraw/zinc/74/94/91/740749491.db2.gz JRMFTOSKBCSFSW-YUELXQCFSA-N 1 3 336.440 -0.515 20 0 EBADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)N(C)C ZINC001071065408 741053111 /nfs/dbraw/zinc/05/31/11/741053111.db2.gz QKMQIMFIXOJCDZ-FMKPAKJESA-N 1 3 340.468 -0.202 20 0 EBADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433584 741399222 /nfs/dbraw/zinc/39/92/22/741399222.db2.gz YGSJISOJTDRRAY-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001075003212 742156271 /nfs/dbraw/zinc/15/62/71/742156271.db2.gz DCVJTMSCSARPHW-QEJZJMRPSA-N 1 3 338.452 -0.435 20 0 EBADHO CN1CC[C@H](N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465888 742476962 /nfs/dbraw/zinc/47/69/62/742476962.db2.gz ZTHRATCFCJUEHW-SOUVJXGZSA-N 1 3 332.448 -0.154 20 0 EBADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978555825 804860856 /nfs/dbraw/zinc/86/08/56/804860856.db2.gz KEAWRXADHSTHKY-UAEIHBMGSA-N 1 3 335.448 -0.474 20 0 EBADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978555825 804860864 /nfs/dbraw/zinc/86/08/64/804860864.db2.gz KEAWRXADHSTHKY-UAEIHBMGSA-N 1 3 335.448 -0.474 20 0 EBADHO C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989491207 808488257 /nfs/dbraw/zinc/48/82/57/808488257.db2.gz DRBQRRDZZTUXCR-DGCLKSJQSA-N 1 3 333.392 -0.320 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000990275596 808718599 /nfs/dbraw/zinc/71/85/99/808718599.db2.gz BNMSDLBULINKSX-ZDUSSCGKSA-N 1 3 337.424 -0.787 20 0 EBADHO O=C(N[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219284 810235619 /nfs/dbraw/zinc/23/56/19/810235619.db2.gz IEOAROKVFMASJO-JKSUJKDBSA-N 1 3 347.463 -0.080 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001214905058 810290170 /nfs/dbraw/zinc/29/01/70/810290170.db2.gz WOCWCZIXWNOKHN-MCIONIFRSA-N 1 3 348.513 -0.442 20 0 EBADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)NC(N)=O ZINC001215056904 810303889 /nfs/dbraw/zinc/30/38/89/810303889.db2.gz NBOWJUIMRDTJCL-VXGBXAGGSA-N 1 3 337.424 -0.754 20 0 EBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184948 810312679 /nfs/dbraw/zinc/31/26/79/810312679.db2.gz VHUTYOPHHUHIPT-TUFIUFKWSA-N 1 3 336.436 -0.968 20 0 EBADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215298675 810322051 /nfs/dbraw/zinc/32/20/51/810322051.db2.gz BPBNNGAYZYZKAO-VXGBXAGGSA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001215463234 810331519 /nfs/dbraw/zinc/33/15/19/810331519.db2.gz NTRHRLIAAUCPRL-QLFBSQMISA-N 1 3 340.468 -0.473 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215681394 810340107 /nfs/dbraw/zinc/34/01/07/810340107.db2.gz XNEPPMQJXXGSBA-IUODEOHRSA-N 1 3 337.424 -0.459 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383859 810371062 /nfs/dbraw/zinc/37/10/62/810371062.db2.gz RNDURGQDLHTFMN-JHJVBQTASA-N 1 3 339.440 -0.780 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383859 810371069 /nfs/dbraw/zinc/37/10/69/810371069.db2.gz RNDURGQDLHTFMN-JHJVBQTASA-N 1 3 339.440 -0.780 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001216401318 810371686 /nfs/dbraw/zinc/37/16/86/810371686.db2.gz JUZAVESDVGQUGU-ZIAGYGMSSA-N 1 3 326.441 -0.767 20 0 EBADHO N[C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C1CC[NH2+]CC1 ZINC001218873294 810539032 /nfs/dbraw/zinc/53/90/32/810539032.db2.gz IHBAPMGOGKBSFP-INIZCTEOSA-N 1 3 331.420 -0.112 20 0 EBADHO [NH3+][C@@H]1CN[C@H](C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)C1 ZINC001218874053 810539177 /nfs/dbraw/zinc/53/91/77/810539177.db2.gz OSSKDKLLRXIEIS-BBRMVZONSA-N 1 3 333.436 -0.571 20 0 EBADHO Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219417060 810691571 /nfs/dbraw/zinc/69/15/71/810691571.db2.gz GXKSJWJWVHNBCD-MEBBXXQBSA-N 1 3 336.417 -0.356 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801178 810848887 /nfs/dbraw/zinc/84/88/87/810848887.db2.gz VDZXSLGWVVOUEV-STQMWFEESA-N 1 3 326.441 -0.639 20 0 EBADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219816154 810859607 /nfs/dbraw/zinc/85/96/07/810859607.db2.gz BPAIIBDAZVERCV-ZNMIVQPWSA-N 1 3 349.456 -0.018 20 0 EBADHO N[C@@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CCC2(CC1)OCCO2 ZINC001219831335 810866603 /nfs/dbraw/zinc/86/66/03/810866603.db2.gz GZLNOQSFSLXJKO-APIJFGDWSA-N 1 3 339.436 -0.260 20 0 EBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CNCc2ccnn2C1 ZINC001219833855 810868790 /nfs/dbraw/zinc/86/87/90/810868790.db2.gz LABGZAVGAOBQSP-CPUCHLNUSA-N 1 3 349.435 -0.886 20 0 EBADHO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1CNCC2 ZINC001219845296 810875415 /nfs/dbraw/zinc/87/54/15/810875415.db2.gz VSXMCYSXHYIXBN-MEDUHNTESA-N 1 3 335.408 -0.820 20 0 EBADHO COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CCN(Cc2ccccc2)C1 ZINC001220228287 811026131 /nfs/dbraw/zinc/02/61/31/811026131.db2.gz HJEHTCKVPWNEKI-RVKKMQEKSA-N 1 3 346.431 -0.391 20 0 EBADHO COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CCN(Cc2ccccc2)C1 ZINC001220228287 811026154 /nfs/dbraw/zinc/02/61/54/811026154.db2.gz HJEHTCKVPWNEKI-RVKKMQEKSA-N 1 3 346.431 -0.391 20 0 EBADHO O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CNCc2ccnn2C1 ZINC001220311990 811051506 /nfs/dbraw/zinc/05/15/06/811051506.db2.gz VNKKRAUKWINNHL-LBPRGKRZSA-N 1 3 329.408 -0.391 20 0 EBADHO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC001220389705 811087302 /nfs/dbraw/zinc/08/73/02/811087302.db2.gz CNKJAYDLOQFFJW-JSGCOSHPSA-N 1 3 349.435 -0.149 20 0 EBADHO N=C(N)N(C(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460580 811117340 /nfs/dbraw/zinc/11/73/40/811117340.db2.gz RUNLKALXBKOIST-KBPBESRZSA-N 1 3 333.392 -0.528 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@H](CCCC[NH3+])NC(C)=O)CCNC1 ZINC001220522610 811138897 /nfs/dbraw/zinc/13/88/97/811138897.db2.gz BFNHUMVBIOMNTI-AWEZNQCLSA-N 1 3 340.424 -0.453 20 0 EBADHO CO[C@@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001220768610 811234226 /nfs/dbraw/zinc/23/42/26/811234226.db2.gz VDGXAQBNAKMWGY-PMPSAXMXSA-N 1 3 343.468 -0.459 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001220768449 811234428 /nfs/dbraw/zinc/23/44/28/811234428.db2.gz MFCRPXHDKUMTLS-KFWWJZLASA-N 1 3 329.441 -0.705 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1=O ZINC001220806089 811247958 /nfs/dbraw/zinc/24/79/58/811247958.db2.gz XSKPMMMZWRSSOP-DCAQKATOSA-N 1 3 336.358 -0.017 20 0 EBADHO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220920787 811295459 /nfs/dbraw/zinc/29/54/59/811295459.db2.gz NMMSXCCNFBKRQW-KGLIPLIRSA-N 1 3 329.404 -0.779 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001220971216 811317582 /nfs/dbraw/zinc/31/75/82/811317582.db2.gz XVPCSJKVAGRFLD-CABCVRRESA-N 1 3 346.431 -0.655 20 0 EBADHO CCC(CC)[C@@H](NC(=O)[C@@H](C)N)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070453 811362337 /nfs/dbraw/zinc/36/23/37/811362337.db2.gz SMHOOCLLWXSJQZ-VXLISWAUSA-N 1 3 329.441 -0.248 20 0 EBADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1COC2(CNC2)CN1 ZINC001221114424 811382850 /nfs/dbraw/zinc/38/28/50/811382850.db2.gz YYVCJTCHLOSPMH-AWEZNQCLSA-N 1 3 345.447 -0.851 20 0 EBADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1COC2(CNC2)CN1 ZINC001221121407 811384441 /nfs/dbraw/zinc/38/44/41/811384441.db2.gz DPXBSTDKOFWOIA-AWEZNQCLSA-N 1 3 331.420 -0.893 20 0 EBADHO O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221153528 811394153 /nfs/dbraw/zinc/39/41/53/811394153.db2.gz KVJWPLSVVARTHL-ZDUSSCGKSA-N 1 3 344.419 -0.574 20 0 EBADHO CC(=O)OCN1CCC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221258342 811428330 /nfs/dbraw/zinc/42/83/30/811428330.db2.gz FWSWYWSMGPBALH-OAHLLOKOSA-N 1 3 338.452 -0.038 20 0 EBADHO CC(=O)OCN1CCC(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221258342 811428332 /nfs/dbraw/zinc/42/83/32/811428332.db2.gz FWSWYWSMGPBALH-OAHLLOKOSA-N 1 3 338.452 -0.038 20 0 EBADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079493982 811561036 /nfs/dbraw/zinc/56/10/36/811561036.db2.gz NYTBSISBXOTAAH-HNNXBMFYSA-N 1 3 340.468 -0.282 20 0 EBADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946777 811569087 /nfs/dbraw/zinc/56/90/87/811569087.db2.gz BOCLQHQTFVBJRR-QLFBSQMISA-N 1 3 329.441 -0.895 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520835 811637958 /nfs/dbraw/zinc/63/79/58/811637958.db2.gz LGMIOKXKEPTKGC-TYNCELHUSA-N 1 3 328.407 -0.111 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520835 811637961 /nfs/dbraw/zinc/63/79/61/811637961.db2.gz LGMIOKXKEPTKGC-TYNCELHUSA-N 1 3 328.407 -0.111 20 0 EBADHO O=C1NCC[C@]12CN(Cc1nc3c(s1)CNCC3)CC21C[NH2+]C1 ZINC001222526837 811639260 /nfs/dbraw/zinc/63/92/60/811639260.db2.gz GNDVOJRNMGSLSZ-INIZCTEOSA-N 1 3 333.461 -0.300 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001227454796 811922678 /nfs/dbraw/zinc/92/26/78/811922678.db2.gz VCTMYDOMBUNGJU-CVEARBPZSA-N 1 3 341.452 -0.561 20 0 EBADHO O=C(NC1CCN(CCOCCO)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001227454796 811922686 /nfs/dbraw/zinc/92/26/86/811922686.db2.gz VCTMYDOMBUNGJU-CVEARBPZSA-N 1 3 341.452 -0.561 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228263048 811972590 /nfs/dbraw/zinc/97/25/90/811972590.db2.gz ZGRBYDLEIFAILJ-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229868476 812060737 /nfs/dbraw/zinc/06/07/37/812060737.db2.gz IQUQDSRICSOLLC-ZIAGYGMSSA-N 1 3 348.513 -0.106 20 0 EBADHO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)CN2CCOCC2)CC1 ZINC001230275260 812096620 /nfs/dbraw/zinc/09/66/20/812096620.db2.gz KGCGURXXJHRBKD-UKRRQHHQSA-N 1 3 340.468 -0.201 20 0 EBADHO CC(C)N1CCN(CCNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001238523646 812529087 /nfs/dbraw/zinc/52/90/87/812529087.db2.gz RICTVYSYJIFSMU-UHFFFAOYSA-N 1 3 332.514 -0.069 20 0 EBADHO COC(=O)c1cc(S(=O)(=O)NCCC[NH2+]CCCN)ccc1O ZINC001238878272 812535024 /nfs/dbraw/zinc/53/50/24/812535024.db2.gz AWMZVAWISSKXBT-UHFFFAOYSA-N 1 3 345.421 -0.214 20 0 EBADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C[C@H]1C(=O)OC ZINC001246083259 812563728 /nfs/dbraw/zinc/56/37/28/812563728.db2.gz NUCFQGIADKSXSL-ZRTFPUAOSA-N 1 3 346.399 -0.231 20 0 EBADHO O=C(NCC1CC1)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246763461 812585957 /nfs/dbraw/zinc/58/59/57/812585957.db2.gz ZPVPHDQIPXDRLW-ZDUSSCGKSA-N 1 3 344.463 -0.065 20 0 EBADHO CC[C@]1(C(=O)OC)C[C@H]([NH+]2CCC([C@@H](N)C(=O)OC)CC2)CN1 ZINC001246866218 812591922 /nfs/dbraw/zinc/59/19/22/812591922.db2.gz AMHHMJKBXSQMJK-WOSRLPQWSA-N 1 3 327.425 -0.118 20 0 EBADHO O=C1CC2(C[NH2+]C2)[C@@H](c2nc(-c3ccc4c(n3)CCNC4)no2)N1 ZINC001247870579 812603509 /nfs/dbraw/zinc/60/35/09/812603509.db2.gz OCYJNXCJGRDXRP-CYBMUJFWSA-N 1 3 326.360 -0.072 20 0 EBADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)C(=O)NCC(N)=O ZINC001254052362 812692885 /nfs/dbraw/zinc/69/28/85/812692885.db2.gz DTMQXOBWWKXUER-AWEZNQCLSA-N 1 3 348.447 -0.407 20 0 EBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@@H](C[NH3+])C(=O)OC ZINC001257920062 812774119 /nfs/dbraw/zinc/77/41/19/812774119.db2.gz RXZPMTOGEXMBGO-GHMZBOCLSA-N 1 3 338.426 -0.920 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001262544147 813091958 /nfs/dbraw/zinc/09/19/58/813091958.db2.gz VEJCMXVSXHYCHM-ZIAGYGMSSA-N 1 3 328.457 -0.486 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001262569309 813096483 /nfs/dbraw/zinc/09/64/83/813096483.db2.gz VESYXHBREIIUNA-IAGOWNOFSA-N 1 3 327.517 -0.790 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001081553355 813165893 /nfs/dbraw/zinc/16/58/93/813165893.db2.gz IJNYIUCSHJDAOW-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001081553355 813165897 /nfs/dbraw/zinc/16/58/97/813165897.db2.gz IJNYIUCSHJDAOW-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081636131 813344017 /nfs/dbraw/zinc/34/40/17/813344017.db2.gz ZLKQJXDYMXARGC-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)N(C)C ZINC001265881776 813402582 /nfs/dbraw/zinc/40/25/82/813402582.db2.gz OPPQZNRLVQDSQM-HUUCEWRRSA-N 1 3 342.484 -0.491 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001265903379 813410323 /nfs/dbraw/zinc/41/03/23/813410323.db2.gz OZUVYKJQLFCTBJ-UONOGXRCSA-N 1 3 346.497 -0.401 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001265903379 813410328 /nfs/dbraw/zinc/41/03/28/813410328.db2.gz OZUVYKJQLFCTBJ-UONOGXRCSA-N 1 3 346.497 -0.401 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703647 813442558 /nfs/dbraw/zinc/44/25/58/813442558.db2.gz SUYNDWHYRXFHDF-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@H](C(=O)NCCC[N@H+](CC)[C@H]1CCC(=O)NC1=O)N(C)C ZINC001266054030 813446547 /nfs/dbraw/zinc/44/65/47/813446547.db2.gz GCYKZRXFJIJSOS-OLZOCXBDSA-N 1 3 326.441 -0.040 20 0 EBADHO CC[C@H](C(=O)NCCC[N@@H+](CC)[C@H]1CCC(=O)NC1=O)N(C)C ZINC001266054030 813446555 /nfs/dbraw/zinc/44/65/55/813446555.db2.gz GCYKZRXFJIJSOS-OLZOCXBDSA-N 1 3 326.441 -0.040 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266559829 813609968 /nfs/dbraw/zinc/60/99/68/813609968.db2.gz OPWUITVHUBQRKF-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266559829 813609973 /nfs/dbraw/zinc/60/99/73/813609973.db2.gz OPWUITVHUBQRKF-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO CN(CCNCC(=O)NC(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266897169 813694255 /nfs/dbraw/zinc/69/42/55/813694255.db2.gz DVLPCGHEEBJIEA-UHFFFAOYSA-N 1 3 335.408 -0.395 20 0 EBADHO CN(CCNCC(=O)NC(N)=O)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266972788 813714947 /nfs/dbraw/zinc/71/49/47/813714947.db2.gz MYXNUUOCXSOXIY-UHFFFAOYSA-N 1 3 339.440 -0.649 20 0 EBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082562212 813967687 /nfs/dbraw/zinc/96/76/87/813967687.db2.gz XPNIOJRYHPWTPQ-MRVWCRGKSA-N 1 3 336.436 -0.288 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001082747267 814004552 /nfs/dbraw/zinc/00/45/52/814004552.db2.gz IGTICYOUIRQPDO-KFWWJZLASA-N 1 3 340.468 -0.378 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001268476720 814257821 /nfs/dbraw/zinc/25/78/21/814257821.db2.gz SMXTVRVIBZJAEH-UHFFFAOYSA-N 1 3 341.456 -0.388 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001268959296 814457958 /nfs/dbraw/zinc/45/79/58/814457958.db2.gz XNRXFBXNDLUUCB-LBPRGKRZSA-N 1 3 329.445 -0.391 20 0 EBADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083655149 814664671 /nfs/dbraw/zinc/66/46/71/814664671.db2.gz ZASTUPWGTAELAJ-PLQZLIEUSA-N 1 3 335.448 -0.189 20 0 EBADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083655149 814664675 /nfs/dbraw/zinc/66/46/75/814664675.db2.gz ZASTUPWGTAELAJ-PLQZLIEUSA-N 1 3 335.448 -0.189 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001269422665 814685156 /nfs/dbraw/zinc/68/51/56/814685156.db2.gz JUJKZIMRKKILMM-STQMWFEESA-N 1 3 336.436 -0.096 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001269422665 814685161 /nfs/dbraw/zinc/68/51/61/814685161.db2.gz JUJKZIMRKKILMM-STQMWFEESA-N 1 3 336.436 -0.096 20 0 EBADHO CS(=O)(=O)CCNC[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270050815 815674018 /nfs/dbraw/zinc/67/40/18/815674018.db2.gz PKSNSWVLGVJZJL-CABCVRRESA-N 1 3 343.493 -0.047 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O)N(C)C ZINC001270293194 815744024 /nfs/dbraw/zinc/74/40/24/815744024.db2.gz KCVGZARVUMEKEJ-ZIAGYGMSSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)CN1CCCC1 ZINC001271206916 816035259 /nfs/dbraw/zinc/03/52/59/816035259.db2.gz KWVKZFYWVONCSX-LBPRGKRZSA-N 1 3 325.413 -0.930 20 0 EBADHO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271529337 816134101 /nfs/dbraw/zinc/13/41/01/816134101.db2.gz DYTYUAAXLBFIBQ-NEPJUHHUSA-N 1 3 343.453 -0.672 20 0 EBADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@H+](CCn2ccnc2)C3)CC1 ZINC001271802589 816216375 /nfs/dbraw/zinc/21/63/75/816216375.db2.gz YYAZCFCOIQGBTC-UHFFFAOYSA-N 1 3 347.463 -0.126 20 0 EBADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@@H+](CCn2ccnc2)C3)CC1 ZINC001271802589 816216379 /nfs/dbraw/zinc/21/63/79/816216379.db2.gz YYAZCFCOIQGBTC-UHFFFAOYSA-N 1 3 347.463 -0.126 20 0 EBADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150924 816249606 /nfs/dbraw/zinc/24/96/06/816249606.db2.gz GZANVVRYXUFKOP-BUYCDISCSA-N 1 3 336.436 -0.792 20 0 EBADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150925 816249655 /nfs/dbraw/zinc/24/96/55/816249655.db2.gz GZANVVRYXUFKOP-GLLDOGJZSA-N 1 3 336.436 -0.792 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373001 816310434 /nfs/dbraw/zinc/31/04/34/816310434.db2.gz HHCKDODCFSCNCN-IXYNUQLISA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086373001 816310440 /nfs/dbraw/zinc/31/04/40/816310440.db2.gz HHCKDODCFSCNCN-IXYNUQLISA-N 1 3 348.451 -0.337 20 0 EBADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001087260886 816493727 /nfs/dbraw/zinc/49/37/27/816493727.db2.gz IJRIJULYMQLSMR-UHFFFAOYSA-N 1 3 347.423 -0.020 20 0 EBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCS(C)(=O)=O)CC1)N(C)C ZINC001274558669 817006300 /nfs/dbraw/zinc/00/63/00/817006300.db2.gz WNLYVKKQYVFHRA-ZDUSSCGKSA-N 1 3 349.497 -0.686 20 0 EBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001276616386 817440929 /nfs/dbraw/zinc/44/09/29/817440929.db2.gz BXMWBNXAYDIHFU-CHWSQXEVSA-N 1 3 347.419 -0.162 20 0 EBADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001276616386 817440935 /nfs/dbraw/zinc/44/09/35/817440935.db2.gz BXMWBNXAYDIHFU-CHWSQXEVSA-N 1 3 347.419 -0.162 20 0 EBADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001279242601 817914336 /nfs/dbraw/zinc/91/43/36/817914336.db2.gz VPSIDJCQTJWPPB-WXRRBKDZSA-N 1 3 336.436 -0.145 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999602 818010279 /nfs/dbraw/zinc/01/02/79/818010279.db2.gz NXGAQGZBPWRWDM-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001280207613 818026042 /nfs/dbraw/zinc/02/60/42/818026042.db2.gz MNUIIOBQLBKEBX-ZDUSSCGKSA-N 1 3 347.419 -0.071 20 0 EBADHO C[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(C[C@H]3CCOC3)C2)nn1 ZINC001094279078 818200872 /nfs/dbraw/zinc/20/08/72/818200872.db2.gz WRMZZEBDYLHRHI-CJNGLKHVSA-N 1 3 348.451 -0.118 20 0 EBADHO C[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(C[C@H]3CCOC3)C2)nn1 ZINC001094279078 818200877 /nfs/dbraw/zinc/20/08/77/818200877.db2.gz WRMZZEBDYLHRHI-CJNGLKHVSA-N 1 3 348.451 -0.118 20 0 EBADHO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn(C2CN(C[C@@H]3CCOC3)C2)nn1 ZINC001094279080 818202068 /nfs/dbraw/zinc/20/20/68/818202068.db2.gz WRMZZEBDYLHRHI-XJKSGUPXSA-N 1 3 348.451 -0.118 20 0 EBADHO C[N@H+]1CCC[C@@H]1C(=O)NCc1cn(C2CN(C[C@@H]3CCOC3)C2)nn1 ZINC001094279080 818202074 /nfs/dbraw/zinc/20/20/74/818202074.db2.gz WRMZZEBDYLHRHI-XJKSGUPXSA-N 1 3 348.451 -0.118 20 0 EBADHO CN(C[C@@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001282025574 818335671 /nfs/dbraw/zinc/33/56/71/818335671.db2.gz HXHCLXXDDRARNG-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001283631329 818888879 /nfs/dbraw/zinc/88/88/79/818888879.db2.gz JCORNMAFOBSQOV-CHWSQXEVSA-N 1 3 326.441 -0.088 20 0 EBADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1)N(C)C ZINC001098479836 819209763 /nfs/dbraw/zinc/20/97/63/819209763.db2.gz BQWYOVCICRKZGX-CVEARBPZSA-N 1 3 345.484 -0.381 20 0 EBADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)C[C@@H](O)COC)CC1)N(C)C ZINC001098479836 819209769 /nfs/dbraw/zinc/20/97/69/819209769.db2.gz BQWYOVCICRKZGX-CVEARBPZSA-N 1 3 345.484 -0.381 20 0 EBADHO COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572550 819251440 /nfs/dbraw/zinc/25/14/40/819251440.db2.gz OAODOWOQLGYUOG-MRXNPFEDSA-N 1 3 345.484 -0.381 20 0 EBADHO COC[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572550 819251446 /nfs/dbraw/zinc/25/14/46/819251446.db2.gz OAODOWOQLGYUOG-MRXNPFEDSA-N 1 3 345.484 -0.381 20 0 EBADHO CNC(=O)[C@H](C)NCCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284878001 819387264 /nfs/dbraw/zinc/38/72/64/819387264.db2.gz KIIMKCQPSPLHNO-ZDUSSCGKSA-N 1 3 326.441 -0.719 20 0 EBADHO CNC(=O)[C@@H](C)NCCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284877996 819387957 /nfs/dbraw/zinc/38/79/57/819387957.db2.gz KIIMKCQPSPLHNO-CYBMUJFWSA-N 1 3 326.441 -0.719 20 0 EBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975003 819979755 /nfs/dbraw/zinc/97/97/55/819979755.db2.gz XLJSVEPEFPJVQZ-HZPDHXFCSA-N 1 3 337.468 -0.144 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C[C@H]1O ZINC001100063668 820144613 /nfs/dbraw/zinc/14/46/13/820144613.db2.gz AWQWXCMIXWVLCX-HZPDHXFCSA-N 1 3 337.468 -0.144 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C[C@H]1O ZINC001100063668 820144619 /nfs/dbraw/zinc/14/46/19/820144619.db2.gz AWQWXCMIXWVLCX-HZPDHXFCSA-N 1 3 337.468 -0.144 20 0 EBADHO CN(CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001100410615 820408198 /nfs/dbraw/zinc/40/81/98/820408198.db2.gz FHELJZVHSCRREB-UHFFFAOYSA-N 1 3 331.482 0.000 20 0 EBADHO C[NH+]1CCC(C(=O)NCC2CC(NCCS(C)(=O)=O)C2)CC1 ZINC001100636074 820496478 /nfs/dbraw/zinc/49/64/78/820496478.db2.gz WAKSPIANLLUMCO-UHFFFAOYSA-N 1 3 331.482 -0.143 20 0 EBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001100683546 820511438 /nfs/dbraw/zinc/51/14/38/820511438.db2.gz GUKVIAOKYDIJOK-RUXDESIVSA-N 1 3 348.513 -0.298 20 0 EBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001101038049 820660952 /nfs/dbraw/zinc/66/09/52/820660952.db2.gz ZTJUQWGYPWTEDI-VOMCLLRMSA-N 1 3 327.429 -0.606 20 0 EBADHO COCCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039639 820661371 /nfs/dbraw/zinc/66/13/71/820661371.db2.gz VUPJKACOISQELJ-UHFFFAOYSA-N 1 3 342.484 -0.036 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102496477 821126444 /nfs/dbraw/zinc/12/64/44/821126444.db2.gz XHLJBEXLNNYVHS-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102496477 821126449 /nfs/dbraw/zinc/12/64/49/821126449.db2.gz XHLJBEXLNNYVHS-MCIONIFRSA-N 1 3 338.452 -0.183 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001104691828 821532839 /nfs/dbraw/zinc/53/28/39/821532839.db2.gz XNZCIBABMVKXDT-UPJWGTAASA-N 1 3 341.456 -0.404 20 0 EBADHO C[NH+](C)CCC(=O)N1CC(n2cc(CNC[C@@H]3CCOC3)nn2)C1 ZINC001105320769 821690727 /nfs/dbraw/zinc/69/07/27/821690727.db2.gz ISTZZGAXMGHTRU-ZDUSSCGKSA-N 1 3 336.440 -0.261 20 0 EBADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCNS(C)(=O)=O ZINC001317243083 822045121 /nfs/dbraw/zinc/04/51/21/822045121.db2.gz UQXDTJVXBCYGCG-CYBMUJFWSA-N 1 3 348.513 -0.106 20 0 EBADHO CC(=O)NCCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317329300 822084990 /nfs/dbraw/zinc/08/49/90/822084990.db2.gz FEVJVTPPPNYEOB-HZPDHXFCSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001317341661 822088550 /nfs/dbraw/zinc/08/85/50/822088550.db2.gz BJBNMHNDOMRXJM-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405718 822102216 /nfs/dbraw/zinc/10/22/16/822102216.db2.gz JPZBUKNPCVCNGI-OLZOCXBDSA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317654094 822193009 /nfs/dbraw/zinc/19/30/09/822193009.db2.gz XPGYAQSIOVRBLY-CYBMUJFWSA-N 1 3 329.445 -0.534 20 0 EBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCCO ZINC001106453685 822271527 /nfs/dbraw/zinc/27/15/27/822271527.db2.gz RJGVEAKGJLIIQA-MYPHYYIGSA-N 1 3 337.464 -0.084 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001128540116 828471839 /nfs/dbraw/zinc/47/18/39/828471839.db2.gz PUCQEYOAIZQYIH-GFCCVEGCSA-N 1 3 340.465 -0.689 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC ZINC001128774143 828524292 /nfs/dbraw/zinc/52/42/92/828524292.db2.gz MUUMMVUTDOPYII-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC ZINC001128774143 828524298 /nfs/dbraw/zinc/52/42/98/828524298.db2.gz MUUMMVUTDOPYII-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001128779146 828525839 /nfs/dbraw/zinc/52/58/39/828525839.db2.gz PLPUPHPEBJWWJC-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001128779146 828525842 /nfs/dbraw/zinc/52/58/42/828525842.db2.gz PLPUPHPEBJWWJC-ZDUSSCGKSA-N 1 3 334.486 -0.542 20 0 EBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363905 828605914 /nfs/dbraw/zinc/60/59/14/828605914.db2.gz MFJXSLDOISOFTD-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363905 828605917 /nfs/dbraw/zinc/60/59/17/828605917.db2.gz MFJXSLDOISOFTD-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364842 828606246 /nfs/dbraw/zinc/60/62/46/828606246.db2.gz ZXKBZUZOFZKQSA-CYBMUJFWSA-N 1 3 328.457 -0.282 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001129435292 828619117 /nfs/dbraw/zinc/61/91/17/828619117.db2.gz DVEAQAUBMWQYRE-UKRRQHHQSA-N 1 3 326.441 -0.672 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129435806 828619371 /nfs/dbraw/zinc/61/93/71/828619371.db2.gz JHUOHUKJZSFBQA-CMPLNLGQSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442474 828620033 /nfs/dbraw/zinc/62/00/33/828620033.db2.gz AMSXRKQBTJWNKT-WFASDCNBSA-N 1 3 326.441 -0.720 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1CC1 ZINC001129443123 828620358 /nfs/dbraw/zinc/62/03/58/828620358.db2.gz IHUWHPGADYGTJH-RYUDHWBXSA-N 1 3 341.374 -0.028 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442471 828620507 /nfs/dbraw/zinc/62/05/07/828620507.db2.gz AMSXRKQBTJWNKT-DOMZBBRYSA-N 1 3 326.441 -0.720 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)C1CC1 ZINC001129449868 828621213 /nfs/dbraw/zinc/62/12/13/828621213.db2.gz QQRODBUOBGVCFG-ZBFHGGJFSA-N 1 3 343.468 -0.411 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001129841944 828680156 /nfs/dbraw/zinc/68/01/56/828680156.db2.gz RERPXECAIQQZPU-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001129841944 828680159 /nfs/dbraw/zinc/68/01/59/828680159.db2.gz RERPXECAIQQZPU-GJZGRUSLSA-N 1 3 340.468 -0.281 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001129840770 828680688 /nfs/dbraw/zinc/68/06/88/828680688.db2.gz JESPEGHEAOOQCX-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001129840770 828680690 /nfs/dbraw/zinc/68/06/90/828680690.db2.gz JESPEGHEAOOQCX-AWEZNQCLSA-N 1 3 346.497 -0.398 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919199 828693860 /nfs/dbraw/zinc/69/38/60/828693860.db2.gz QFGKDROLHHMARA-MJBXVCDLSA-N 1 3 338.456 -0.269 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001129950430 828699392 /nfs/dbraw/zinc/69/93/92/828699392.db2.gz TWRNDQXDNBGLTO-ZFWWWQNUSA-N 1 3 328.457 -0.569 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188983 828751753 /nfs/dbraw/zinc/75/17/53/828751753.db2.gz LFHKIYMTKKBTQC-CHWSQXEVSA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188983 828751754 /nfs/dbraw/zinc/75/17/54/828751754.db2.gz LFHKIYMTKKBTQC-CHWSQXEVSA-N 1 3 332.470 -0.742 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001130203775 828754907 /nfs/dbraw/zinc/75/49/07/828754907.db2.gz XFYWMQMGQNCOEE-QWHCGFSZSA-N 1 3 334.486 -0.686 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001130425005 828830580 /nfs/dbraw/zinc/83/05/80/828830580.db2.gz KAZGKVRBSFATEL-KBPBESRZSA-N 1 3 333.473 -0.165 20 0 EBADHO CNC(=O)CN[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179798750 833011486 /nfs/dbraw/zinc/01/14/86/833011486.db2.gz JRQMEJXSAPDVMG-JSGCOSHPSA-N 1 3 326.441 -0.578 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001179799128 833011617 /nfs/dbraw/zinc/01/16/17/833011617.db2.gz LPHYQVYNXNXUHS-ZFWWWQNUSA-N 1 3 340.468 -0.236 20 0 EBADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21)C1CC1 ZINC001114410366 826236931 /nfs/dbraw/zinc/23/69/31/826236931.db2.gz URZVVUFDBOBEQS-CBBWQLFWSA-N 1 3 335.452 -0.602 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115153837 826434173 /nfs/dbraw/zinc/43/41/73/826434173.db2.gz BWUGYLZVXCVTNZ-RSUWNVLCSA-N 1 3 336.436 -0.430 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115153837 826434175 /nfs/dbraw/zinc/43/41/75/826434175.db2.gz BWUGYLZVXCVTNZ-RSUWNVLCSA-N 1 3 336.436 -0.430 20 0 EBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115156696 826434915 /nfs/dbraw/zinc/43/49/15/826434915.db2.gz SZJLJXSRQVYMBC-FOLVSLTJSA-N 1 3 337.468 -0.210 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115156696 826434918 /nfs/dbraw/zinc/43/49/18/826434918.db2.gz SZJLJXSRQVYMBC-FOLVSLTJSA-N 1 3 337.468 -0.210 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001115161955 826435718 /nfs/dbraw/zinc/43/57/18/826435718.db2.gz QGHJCBDYKHKVCF-LJIGWXMPSA-N 1 3 343.468 -0.602 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001115161955 826435720 /nfs/dbraw/zinc/43/57/20/826435720.db2.gz QGHJCBDYKHKVCF-LJIGWXMPSA-N 1 3 343.468 -0.602 20 0 EBADHO C[C@@H](C(=O)NCC(C)(C)N1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC001116065340 826597942 /nfs/dbraw/zinc/59/79/42/826597942.db2.gz OMFZKOAGLVGOAG-HNNXBMFYSA-N 1 3 325.501 -0.236 20 0 EBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001119065948 827054063 /nfs/dbraw/zinc/05/40/63/827054063.db2.gz FHCDKWPXHXPPDW-KXNHARMFSA-N 1 3 348.369 -0.256 20 0 EBADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001120046240 827169830 /nfs/dbraw/zinc/16/98/30/827169830.db2.gz SIIGXHNBFABGFA-UHFFFAOYSA-N 1 3 341.456 -0.068 20 0 EBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120448522 827225650 /nfs/dbraw/zinc/22/56/50/827225650.db2.gz BITIEHICOQMOQH-LSDHHAIUSA-N 1 3 340.468 -0.247 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652775 833171044 /nfs/dbraw/zinc/17/10/44/833171044.db2.gz PLSBSQDFRTYGEQ-CABCVRRESA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652126 833171127 /nfs/dbraw/zinc/17/11/27/833171127.db2.gz JPZMPHGQLDRXCR-NEPJUHHUSA-N 1 3 325.413 -0.883 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182684981 833252334 /nfs/dbraw/zinc/25/23/34/833252334.db2.gz XOILFRIIXSGAJF-JHJVBQTASA-N 1 3 332.470 -0.934 20 0 EBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001182684981 833252338 /nfs/dbraw/zinc/25/23/38/833252338.db2.gz XOILFRIIXSGAJF-JHJVBQTASA-N 1 3 332.470 -0.934 20 0 EBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866560 827969301 /nfs/dbraw/zinc/96/93/01/827969301.db2.gz FVAFYUHQDNMBFY-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001124879403 827973808 /nfs/dbraw/zinc/97/38/08/827973808.db2.gz SWDSBCHAHKAIOL-WDEREUQCSA-N 1 3 336.358 -0.050 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001183580999 833295598 /nfs/dbraw/zinc/29/55/98/833295598.db2.gz CLDUGMCUANAFAE-CHWSQXEVSA-N 1 3 334.486 -0.592 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081792 828248756 /nfs/dbraw/zinc/24/87/56/828248756.db2.gz BPEMGIAXKGEZQV-VXGBXAGGSA-N 1 3 327.429 -0.591 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081792 828248764 /nfs/dbraw/zinc/24/87/64/828248764.db2.gz BPEMGIAXKGEZQV-VXGBXAGGSA-N 1 3 327.429 -0.591 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255706 828268534 /nfs/dbraw/zinc/26/85/34/828268534.db2.gz KYNYDDFNFIAJBS-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255706 828268540 /nfs/dbraw/zinc/26/85/40/828268540.db2.gz KYNYDDFNFIAJBS-CABCVRRESA-N 1 3 340.468 -0.281 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCCO1 ZINC001127474502 828297116 /nfs/dbraw/zinc/29/71/16/828297116.db2.gz MTTAOMKPEPWTFD-LSDHHAIUSA-N 1 3 338.452 -0.671 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cccnc1 ZINC001127473694 828297450 /nfs/dbraw/zinc/29/74/50/828297450.db2.gz CNYMOZHMENRMTN-INIZCTEOSA-N 1 3 345.447 -0.255 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001127479640 828297732 /nfs/dbraw/zinc/29/77/32/828297732.db2.gz DDOYXPYHSHDKPS-DZGCQCFKSA-N 1 3 338.452 -0.719 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)NC1CC1 ZINC001127475787 828298005 /nfs/dbraw/zinc/29/80/05/828298005.db2.gz YYTYIXLDNJRUKH-CYBMUJFWSA-N 1 3 337.424 -0.978 20 0 EBADHO CN1CCC[C@H](NCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127558907 828302195 /nfs/dbraw/zinc/30/21/95/828302195.db2.gz VFAAKSLBOMUQGM-AWEZNQCLSA-N 1 3 336.440 -0.615 20 0 EBADHO CCCC[C@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127562049 828302408 /nfs/dbraw/zinc/30/24/08/828302408.db2.gz AGFBIUCZMHINLI-ZDUSSCGKSA-N 1 3 338.456 -0.192 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685474 828314690 /nfs/dbraw/zinc/31/46/90/828314690.db2.gz PFTHJBPFJIUGKB-IJLUTSLNSA-N 1 3 327.429 -0.733 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685474 828314698 /nfs/dbraw/zinc/31/46/98/828314698.db2.gz PFTHJBPFJIUGKB-IJLUTSLNSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001127695785 828315508 /nfs/dbraw/zinc/31/55/08/828315508.db2.gz YEYJPDGPILEZOF-QLFBSQMISA-N 1 3 340.468 -0.282 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001127695785 828315512 /nfs/dbraw/zinc/31/55/12/828315512.db2.gz YEYJPDGPILEZOF-QLFBSQMISA-N 1 3 340.468 -0.282 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127760205 828320519 /nfs/dbraw/zinc/32/05/19/828320519.db2.gz GIMNJRPFMFPEQJ-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127760205 828320528 /nfs/dbraw/zinc/32/05/28/828320528.db2.gz GIMNJRPFMFPEQJ-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC001127778487 828324764 /nfs/dbraw/zinc/32/47/64/828324764.db2.gz GAUFUIBFELDOIP-GJZGRUSLSA-N 1 3 338.452 -0.432 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC001127778487 828324768 /nfs/dbraw/zinc/32/47/68/828324768.db2.gz GAUFUIBFELDOIP-GJZGRUSLSA-N 1 3 338.452 -0.432 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779244 828328157 /nfs/dbraw/zinc/32/81/57/828328157.db2.gz JXTVFYBMPDKGPE-KGLIPLIRSA-N 1 3 340.468 -0.140 20 0 EBADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779244 828328165 /nfs/dbraw/zinc/32/81/65/828328165.db2.gz JXTVFYBMPDKGPE-KGLIPLIRSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786229 828331605 /nfs/dbraw/zinc/33/16/05/828331605.db2.gz WTEKPPRTXIEMIU-UONOGXRCSA-N 1 3 326.441 -0.672 20 0 EBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786229 828331615 /nfs/dbraw/zinc/33/16/15/828331615.db2.gz WTEKPPRTXIEMIU-UONOGXRCSA-N 1 3 326.441 -0.672 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130709177 828920075 /nfs/dbraw/zinc/92/00/75/828920075.db2.gz WJGDORAWSNMMTM-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130709177 828920080 /nfs/dbraw/zinc/92/00/80/828920080.db2.gz WJGDORAWSNMMTM-CHWSQXEVSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876797 833342404 /nfs/dbraw/zinc/34/24/04/833342404.db2.gz MYPHXFFPJRUMKH-QJPTWQEYSA-N 1 3 325.413 -0.885 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213210 833350121 /nfs/dbraw/zinc/35/01/21/833350121.db2.gz JDBDXDNBGNQOSX-NWDGAFQWSA-N 1 3 339.440 -0.637 20 0 EBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001185249382 833351359 /nfs/dbraw/zinc/35/13/59/833351359.db2.gz VUGPLEVXCVMKDF-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CCOCC2)C1 ZINC001185386031 833357672 /nfs/dbraw/zinc/35/76/72/833357672.db2.gz YWAQDPWKXLPRPX-CQSZACIVSA-N 1 3 326.441 -0.576 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185400731 833357965 /nfs/dbraw/zinc/35/79/65/833357965.db2.gz GIPBMXLVWBAGNU-OAHLLOKOSA-N 1 3 340.468 -0.329 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)N(C)C ZINC001185716585 833367817 /nfs/dbraw/zinc/36/78/17/833367817.db2.gz ZTFLWZBFVNEHJO-ILXRZTDVSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185706667 833368076 /nfs/dbraw/zinc/36/80/76/833368076.db2.gz QRBJLJGVHUAHNQ-XQQFMLRXSA-N 1 3 341.456 -0.249 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCC1 ZINC001131520268 829153084 /nfs/dbraw/zinc/15/30/84/829153084.db2.gz WJWREFAVFYCHPC-XOYHFGRZSA-N 1 3 336.436 -0.822 20 0 EBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCCC1 ZINC001131520268 829153090 /nfs/dbraw/zinc/15/30/90/829153090.db2.gz WJWREFAVFYCHPC-XOYHFGRZSA-N 1 3 336.436 -0.822 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185750698 833369580 /nfs/dbraw/zinc/36/95/80/833369580.db2.gz MBWYSKHWRGIEIK-OLZOCXBDSA-N 1 3 341.456 -0.404 20 0 EBADHO COCCN1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692497 829187651 /nfs/dbraw/zinc/18/76/51/829187651.db2.gz HSNKBBZLFFVUQC-NVXWUHKLSA-N 1 3 343.468 -0.097 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC1 ZINC001186090944 833388259 /nfs/dbraw/zinc/38/82/59/833388259.db2.gz SFUJGGNUZGOYMZ-CQSZACIVSA-N 1 3 346.497 -0.542 20 0 EBADHO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001186511558 833403842 /nfs/dbraw/zinc/40/38/42/833403842.db2.gz GDBPOFWUGQWTRD-GFCCVEGCSA-N 1 3 335.408 -0.718 20 0 EBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2)C(N)=O ZINC001186514354 833404182 /nfs/dbraw/zinc/40/41/82/833404182.db2.gz ZBLXVDBWVSBOGZ-CHWSQXEVSA-N 1 3 349.435 -0.329 20 0 EBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616076 833408965 /nfs/dbraw/zinc/40/89/65/833408965.db2.gz NFAXQPLSEYRSRA-CYBMUJFWSA-N 1 3 326.441 -0.624 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001132737842 829512311 /nfs/dbraw/zinc/51/23/11/829512311.db2.gz RNPLKAOYPMIHTE-CQSZACIVSA-N 1 3 348.513 -0.294 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)C1 ZINC001132737842 829512313 /nfs/dbraw/zinc/51/23/13/829512313.db2.gz RNPLKAOYPMIHTE-CQSZACIVSA-N 1 3 348.513 -0.294 20 0 EBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NCc2cccnc2)CC1 ZINC001133286085 829616005 /nfs/dbraw/zinc/61/60/05/829616005.db2.gz WLHLMSNFXXXWJS-UHFFFAOYSA-N 1 3 333.436 -0.255 20 0 EBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001133294539 829618157 /nfs/dbraw/zinc/61/81/57/829618157.db2.gz MMGLBKQJHGDVIH-HNNXBMFYSA-N 1 3 348.447 -0.236 20 0 EBADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133415572 829630459 /nfs/dbraw/zinc/63/04/59/829630459.db2.gz DUOAWNZAUORTQF-CYBMUJFWSA-N 1 3 327.429 -0.733 20 0 EBADHO CC[C@H](C(=O)NCCNCCN1CCCS1(=O)=O)[NH+](CC)CC ZINC001133683990 829660792 /nfs/dbraw/zinc/66/07/92/829660792.db2.gz BGIJFWUSQLIJJJ-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001133823880 829679131 /nfs/dbraw/zinc/67/91/31/829679131.db2.gz ROCXTBNKFCTBLX-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001133823880 829679136 /nfs/dbraw/zinc/67/91/36/829679136.db2.gz ROCXTBNKFCTBLX-KBPBESRZSA-N 1 3 326.441 -0.576 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001133845417 829685259 /nfs/dbraw/zinc/68/52/59/829685259.db2.gz FJWGYTVGKNGENZ-KGLIPLIRSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001133845665 829685278 /nfs/dbraw/zinc/68/52/78/829685278.db2.gz LFUNTQQKFMVMTI-ZDUSSCGKSA-N 1 3 331.482 -0.141 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001133845698 829685420 /nfs/dbraw/zinc/68/54/20/829685420.db2.gz LVJTXZXQFQYSGE-CYBMUJFWSA-N 1 3 334.486 -0.685 20 0 EBADHO C[C@H](NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856808 829688703 /nfs/dbraw/zinc/68/87/03/829688703.db2.gz RQLXPUVXNYKVNB-BONVTDFDSA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@H](NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(=O)NC(N)=O ZINC001133856808 829688709 /nfs/dbraw/zinc/68/87/09/829688709.db2.gz RQLXPUVXNYKVNB-BONVTDFDSA-N 1 3 345.419 -0.512 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133897073 829695589 /nfs/dbraw/zinc/69/55/89/829695589.db2.gz XWNGKFKEDJOZRF-AWEZNQCLSA-N 1 3 331.457 -0.552 20 0 EBADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001134583677 829796609 /nfs/dbraw/zinc/79/66/09/829796609.db2.gz NDMQXTXJRHTOCC-MNOVXSKESA-N 1 3 327.429 -0.462 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783569 829845326 /nfs/dbraw/zinc/84/53/26/829845326.db2.gz ZAYIWHMNYAZIOK-CQSZACIVSA-N 1 3 342.484 -0.035 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474576 829973593 /nfs/dbraw/zinc/97/35/93/829973593.db2.gz UNVHFPYPBBGULX-QWHCGFSZSA-N 1 3 343.472 -0.097 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135477832 829974136 /nfs/dbraw/zinc/97/41/36/829974136.db2.gz QKZHLLRXYAQTLE-CQSZACIVSA-N 1 3 343.472 -0.096 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211286434 837421265 /nfs/dbraw/zinc/42/12/65/837421265.db2.gz UIJFWTZTBQXWNS-CQSZACIVSA-N 1 3 348.513 -0.154 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383130 830195503 /nfs/dbraw/zinc/19/55/03/830195503.db2.gz DPCGTYCBRAXOLF-UHFFFAOYSA-N 1 3 341.456 -0.342 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)NCCNCCNS(C)(=O)=O)CC1 ZINC001146392453 830195647 /nfs/dbraw/zinc/19/56/47/830195647.db2.gz VGGYEQIDHVIUEG-UHFFFAOYSA-N 1 3 334.486 -0.638 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147301135 830316512 /nfs/dbraw/zinc/31/65/12/830316512.db2.gz PJLBUMUCGMFHDK-UHFFFAOYSA-N 1 3 346.497 -0.637 20 0 EBADHO C[C@@H]1C[C@@H](C)CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1 ZINC001147893988 830427314 /nfs/dbraw/zinc/42/73/14/830427314.db2.gz WZBWHGPWQDEDPM-HUUCEWRRSA-N 1 3 342.484 -0.225 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900199 830428438 /nfs/dbraw/zinc/42/84/38/830428438.db2.gz JNASFKIDUSTFND-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900199 830428441 /nfs/dbraw/zinc/42/84/41/830428441.db2.gz JNASFKIDUSTFND-LSDHHAIUSA-N 1 3 342.484 -0.035 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)C1 ZINC001148284894 830465359 /nfs/dbraw/zinc/46/53/59/830465359.db2.gz IWJLUTFMLHRUHL-HNNXBMFYSA-N 1 3 325.453 -0.129 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)C1 ZINC001148284894 830465363 /nfs/dbraw/zinc/46/53/63/830465363.db2.gz IWJLUTFMLHRUHL-HNNXBMFYSA-N 1 3 325.453 -0.129 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148352133 830474044 /nfs/dbraw/zinc/47/40/44/830474044.db2.gz BKFXXLUWZYAFMB-GFCCVEGCSA-N 1 3 329.445 -0.342 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001148365066 830475449 /nfs/dbraw/zinc/47/54/49/830475449.db2.gz FWGFDASSAQRKRA-AWEZNQCLSA-N 1 3 328.457 -0.423 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CCCC[NH+](C)C)CCO1 ZINC001148365398 830475608 /nfs/dbraw/zinc/47/56/08/830475608.db2.gz OIVGFYCFNILVSX-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001148359960 830475779 /nfs/dbraw/zinc/47/57/79/830475779.db2.gz HUUVUQUWUXCSRP-UHFFFAOYSA-N 1 3 327.429 -0.588 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001148570371 830509286 /nfs/dbraw/zinc/50/92/86/830509286.db2.gz BSSWMLSLYJONIW-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001148570371 830509296 /nfs/dbraw/zinc/50/92/96/830509296.db2.gz BSSWMLSLYJONIW-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001148655072 830525398 /nfs/dbraw/zinc/52/53/98/830525398.db2.gz HKFSLDKMNQNQTP-CQSZACIVSA-N 1 3 331.457 -0.410 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150546568 830928732 /nfs/dbraw/zinc/92/87/32/830928732.db2.gz GMDSGSGELZZDOC-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001150546568 830928737 /nfs/dbraw/zinc/92/87/37/830928737.db2.gz GMDSGSGELZZDOC-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150546567 830928801 /nfs/dbraw/zinc/92/88/01/830928801.db2.gz GMDSGSGELZZDOC-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150546567 830928808 /nfs/dbraw/zinc/92/88/08/830928808.db2.gz GMDSGSGELZZDOC-GJZGRUSLSA-N 1 3 331.457 -0.457 20 0 EBADHO COC[C@H](C)N1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587750 830939170 /nfs/dbraw/zinc/93/91/70/830939170.db2.gz JPBHQFARCLTWET-GJZGRUSLSA-N 1 3 331.457 -0.193 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066773 831021299 /nfs/dbraw/zinc/02/12/99/831021299.db2.gz YOKBPHQSYBZFKG-LBPRGKRZSA-N 1 3 327.429 -0.874 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066773 831021308 /nfs/dbraw/zinc/02/13/08/831021308.db2.gz YOKBPHQSYBZFKG-LBPRGKRZSA-N 1 3 327.429 -0.874 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361646 831061689 /nfs/dbraw/zinc/06/16/89/831061689.db2.gz LMHBGVZUROXASM-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145621 831133574 /nfs/dbraw/zinc/13/35/74/831133574.db2.gz CRSOGUWUGHVHLJ-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001152148464 831134167 /nfs/dbraw/zinc/13/41/67/831134167.db2.gz QDMDJXZQUNOAMZ-KBPBESRZSA-N 1 3 348.513 -0.106 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152349316 831154394 /nfs/dbraw/zinc/15/43/94/831154394.db2.gz ZPQZYXMGQITWAI-UHFFFAOYSA-N 1 3 334.486 -0.493 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)N1CCOCC1 ZINC001152340160 831154432 /nfs/dbraw/zinc/15/44/32/831154432.db2.gz HUPQLBIYEHOACA-UHFFFAOYSA-N 1 3 326.441 -0.573 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393199 831156912 /nfs/dbraw/zinc/15/69/12/831156912.db2.gz GVXYVLJQEUYICY-UHFFFAOYSA-N 1 3 349.435 -0.087 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001152445586 831163251 /nfs/dbraw/zinc/16/32/51/831163251.db2.gz KBFFHWOIGPXGNT-LLVKDONJSA-N 1 3 327.429 -0.591 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152457395 831164240 /nfs/dbraw/zinc/16/42/40/831164240.db2.gz CZLKANUYHYYQCN-CYBMUJFWSA-N 1 3 339.440 -0.492 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001152445897 831164495 /nfs/dbraw/zinc/16/44/95/831164495.db2.gz QRQZVMPOQMVFEI-CABCVRRESA-N 1 3 331.457 -0.411 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001152458597 831165344 /nfs/dbraw/zinc/16/53/44/831165344.db2.gz RLXAZUNYNZUTLA-CABCVRRESA-N 1 3 331.457 -0.410 20 0 EBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152458177 831165439 /nfs/dbraw/zinc/16/54/39/831165439.db2.gz MIYYIZXKLSNNEN-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473985 831166336 /nfs/dbraw/zinc/16/63/36/831166336.db2.gz YARFFTUGCAKRJL-NWDGAFQWSA-N 1 3 327.429 -0.604 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001155789918 831430306 /nfs/dbraw/zinc/43/03/06/831430306.db2.gz HRHMPOONJSBFHF-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155810970 831432010 /nfs/dbraw/zinc/43/20/10/831432010.db2.gz DLFGURPSBQWTQT-CYBMUJFWSA-N 1 3 341.456 -0.342 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157368448 831560649 /nfs/dbraw/zinc/56/06/49/831560649.db2.gz HEIJJQBRZQCXEX-STQMWFEESA-N 1 3 342.440 -0.497 20 0 EBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001157448894 831567449 /nfs/dbraw/zinc/56/74/49/831567449.db2.gz NZIDTQBSFPGGBE-LLVKDONJSA-N 1 3 343.428 -0.965 20 0 EBADHO C[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157997108 831616921 /nfs/dbraw/zinc/61/69/21/831616921.db2.gz IFGWKLMJCKJZQQ-XEZPLFJOSA-N 1 3 326.441 -0.583 20 0 EBADHO O=C(c1csc([C@@H]2CCCN2)n1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102521 831628268 /nfs/dbraw/zinc/62/82/68/831628268.db2.gz SYPZXRLZRIFCEH-ZUZCIYMTSA-N 1 3 335.433 -0.128 20 0 EBADHO CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001158191640 831637911 /nfs/dbraw/zinc/63/79/11/831637911.db2.gz UZVPZWWUKWANKW-ZDUSSCGKSA-N 1 3 347.419 -0.399 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2(C1)CCCO2 ZINC001158240985 831640531 /nfs/dbraw/zinc/64/05/31/831640531.db2.gz PDANOVJQPUKOQA-KBPBESRZSA-N 1 3 338.452 -0.175 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319634 831646332 /nfs/dbraw/zinc/64/63/32/831646332.db2.gz KLGMMNXHDLZARP-GJZGRUSLSA-N 1 3 326.400 -0.165 20 0 EBADHO N[C@H]1CCCCN(CC(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1=O ZINC001158577297 831666666 /nfs/dbraw/zinc/66/66/66/831666666.db2.gz HDBYUIWPVCSGCT-AGIUHOORSA-N 1 3 326.416 -0.138 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967833 831698620 /nfs/dbraw/zinc/69/86/20/831698620.db2.gz GDILAHQUKCQMQJ-MJBXVCDLSA-N 1 3 334.424 -0.651 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001159155113 831712117 /nfs/dbraw/zinc/71/21/17/831712117.db2.gz JDSSVBSFIQJWPS-LLVKDONJSA-N 1 3 333.408 -0.782 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001159155190 831712766 /nfs/dbraw/zinc/71/27/66/831712766.db2.gz KYNOTULXVNKDOB-LBPRGKRZSA-N 1 3 325.450 -0.193 20 0 EBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159224906 831725841 /nfs/dbraw/zinc/72/58/41/831725841.db2.gz MLHYVMUPRZVVAK-KKUMJFAQSA-N 1 3 332.448 -0.203 20 0 EBADHO CCOC[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)Cc2cnn(C)c21 ZINC001159393694 831748614 /nfs/dbraw/zinc/74/86/14/831748614.db2.gz IJRGYJSMOVPHFX-ZIAGYGMSSA-N 1 3 333.436 -0.309 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159599759 831765052 /nfs/dbraw/zinc/76/50/52/831765052.db2.gz NJHUPXIYSKFCGP-LXTVHRRPSA-N 1 3 338.452 -0.415 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623319 831766230 /nfs/dbraw/zinc/76/62/30/831766230.db2.gz CZWSDGOUWZZJIO-REWJHTLYSA-N 1 3 340.424 -0.635 20 0 EBADHO N[C@@H](CC[NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667856 831771594 /nfs/dbraw/zinc/77/15/94/831771594.db2.gz VKQCCWHGXBRYEV-OAGGEKHMSA-N 1 3 333.436 -0.441 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854723 831789312 /nfs/dbraw/zinc/78/93/12/831789312.db2.gz RSADWZMTTAIOLH-AWEZNQCLSA-N 1 3 331.457 -0.410 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001159915573 831797097 /nfs/dbraw/zinc/79/70/97/831797097.db2.gz KYJYEIYMDLCACF-HNNXBMFYSA-N 1 3 326.441 -0.719 20 0 EBADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)CC[S@@](C)=O ZINC001159929349 831797732 /nfs/dbraw/zinc/79/77/32/831797732.db2.gz CUCUPDJNEWCTGN-PMCKQCSYSA-N 1 3 330.498 -0.681 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001159933049 831798932 /nfs/dbraw/zinc/79/89/32/831798932.db2.gz YNSIXNOGOBCSAQ-CZUORRHYSA-N 1 3 340.468 -0.425 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932843 831799317 /nfs/dbraw/zinc/79/93/17/831799317.db2.gz WFERAXMZWKLOBD-TZMCWYRMSA-N 1 3 331.482 -0.143 20 0 EBADHO O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001160121415 831817777 /nfs/dbraw/zinc/81/77/77/831817777.db2.gz WTVYTIWIBLOUDX-MELADBBJSA-N 1 3 344.415 -0.239 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160425986 831847949 /nfs/dbraw/zinc/84/79/49/831847949.db2.gz BVWQNZAVTMXZLV-CABCVRRESA-N 1 3 333.473 -0.308 20 0 EBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(c2cccnn2)CC1 ZINC001160572057 831865306 /nfs/dbraw/zinc/86/53/06/831865306.db2.gz YMOGPFRFHUOFHF-AWEZNQCLSA-N 1 3 330.436 -0.001 20 0 EBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(c2cccnn2)CC1 ZINC001160572057 831865311 /nfs/dbraw/zinc/86/53/11/831865311.db2.gz YMOGPFRFHUOFHF-AWEZNQCLSA-N 1 3 330.436 -0.001 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637030 831873312 /nfs/dbraw/zinc/87/33/12/831873312.db2.gz IXQCNGYRRDNBQU-HNNXBMFYSA-N 1 3 340.468 -0.105 20 0 EBADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)CCO1 ZINC001160643580 831874335 /nfs/dbraw/zinc/87/43/35/831874335.db2.gz JGEOBHRLKIIYGD-UWVGGRQHSA-N 1 3 340.346 -0.651 20 0 EBADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160747833 831883269 /nfs/dbraw/zinc/88/32/69/831883269.db2.gz WOQNELJXSNLFBI-CKEIUWERSA-N 1 3 338.452 -0.671 20 0 EBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CC(F)F)C[C@H]1C2 ZINC001160797051 831888741 /nfs/dbraw/zinc/88/87/41/831888741.db2.gz HQTYPFGSXHUJBJ-QSJCVTFJSA-N 1 3 331.363 -0.174 20 0 EBADHO COc1cccnc1N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160845967 831894090 /nfs/dbraw/zinc/89/40/90/831894090.db2.gz BHCOZAAXNDSFBJ-ZDUSSCGKSA-N 1 3 331.420 -0.452 20 0 EBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001495 831913334 /nfs/dbraw/zinc/91/33/34/831913334.db2.gz YQAVYMPIXZWXFE-IHRRRGAJSA-N 1 3 340.468 -0.420 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)COC1(C)C ZINC001161083835 831921238 /nfs/dbraw/zinc/92/12/38/831921238.db2.gz UOOLFLLVHXRBPU-XUXIUFHCSA-N 1 3 338.452 -0.150 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3[C@H](C2)CCC[N@H+]3C)COC1(C)C ZINC001161083835 831921242 /nfs/dbraw/zinc/92/12/42/831921242.db2.gz UOOLFLLVHXRBPU-XUXIUFHCSA-N 1 3 338.452 -0.150 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001161226337 831938355 /nfs/dbraw/zinc/93/83/55/831938355.db2.gz DIHMICGVEBEDOA-UHFFFAOYSA-N 1 3 336.502 -0.296 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161294893 831944429 /nfs/dbraw/zinc/94/44/29/831944429.db2.gz AFPOENSUUHIJBA-RYUDHWBXSA-N 1 3 325.438 -0.134 20 0 EBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)nc1 ZINC001161299013 831945685 /nfs/dbraw/zinc/94/56/85/831945685.db2.gz REILCAZYRAJAAB-IIYDPXPESA-N 1 3 347.419 -0.336 20 0 EBADHO COc1cc(C)nc(N(C(=O)[C@@H]2CNCCN2)C2CC[NH2+]CC2)n1 ZINC001161309499 831947541 /nfs/dbraw/zinc/94/75/41/831947541.db2.gz RCRGNDNFRWIDLX-ZDUSSCGKSA-N 1 3 334.424 -0.560 20 0 EBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001161602261 831977048 /nfs/dbraw/zinc/97/70/48/831977048.db2.gz VOPHUJFJQKQDLS-ZDUSSCGKSA-N 1 3 335.408 -0.234 20 0 EBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001161605260 831977180 /nfs/dbraw/zinc/97/71/80/831977180.db2.gz UXXHSLAOMIHTSS-JTQLQIEISA-N 1 3 341.437 -0.542 20 0 EBADHO CS(=O)(=O)N(CC[NH3+])c1cncc(OCCN2CCCC2)n1 ZINC001162123842 832019436 /nfs/dbraw/zinc/01/94/36/832019436.db2.gz FTRPJLIHZBVCRZ-UHFFFAOYSA-N 1 3 329.426 -0.324 20 0 EBADHO Cn1cncc1C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162871933 832067515 /nfs/dbraw/zinc/06/75/15/832067515.db2.gz BEXNSPWVWPUDPQ-GNHJJJEISA-N 1 3 333.436 -0.121 20 0 EBADHO O=C(NCCC[NH2+]CCn1cncn1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872563 832068801 /nfs/dbraw/zinc/06/88/01/832068801.db2.gz WEXYVLYOYWQTHX-NPCAHTBFSA-N 1 3 334.424 -0.763 20 0 EBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001350046865 832109629 /nfs/dbraw/zinc/10/96/29/832109629.db2.gz REVLFAWNEVKEKM-ZDUSSCGKSA-N 1 3 325.457 -0.922 20 0 EBADHO Cc1cc(OC2CC[NH2+]CC2)nc(N(C)S(=O)(=O)CCN)n1 ZINC001164287028 832180470 /nfs/dbraw/zinc/18/04/70/832180470.db2.gz HNKVOJNSJKMZLR-UHFFFAOYSA-N 1 3 329.426 -0.359 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001166009918 832245773 /nfs/dbraw/zinc/24/57/73/832245773.db2.gz CKUOHJAPAQJZEW-GOEBONIOSA-N 1 3 342.484 -0.348 20 0 EBADHO O=C(NCCN1CC[C@H](O)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001351604306 832257859 /nfs/dbraw/zinc/25/78/59/832257859.db2.gz HHVNFODXKFAYHH-ZDUSSCGKSA-N 1 3 344.375 -0.611 20 0 EBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001166627041 832275290 /nfs/dbraw/zinc/27/52/90/832275290.db2.gz ONROHFUWSFXXKZ-GJZGRUSLSA-N 1 3 340.468 -0.450 20 0 EBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667799 832277407 /nfs/dbraw/zinc/27/74/07/832277407.db2.gz ITGIMWXUGBINLF-CQSZACIVSA-N 1 3 328.457 -0.423 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001166667903 832277965 /nfs/dbraw/zinc/27/79/65/832277965.db2.gz KWFHQLOHCLDLEH-LSDHHAIUSA-N 1 3 340.468 -0.281 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677751 832278794 /nfs/dbraw/zinc/27/87/94/832278794.db2.gz MJXQIMGDNWFKIR-CYBMUJFWSA-N 1 3 334.486 -0.637 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1)N(C)C ZINC001166852953 832293767 /nfs/dbraw/zinc/29/37/67/832293767.db2.gz ZYGZSAGVUPECFY-HOCLYGCPSA-N 1 3 345.484 -0.021 20 0 EBADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167481044 832344962 /nfs/dbraw/zinc/34/49/62/832344962.db2.gz XZUHHPHSFHBZFW-UHFFFAOYSA-N 1 3 327.429 -0.601 20 0 EBADHO Cn1nncc1CNCC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167733198 832368234 /nfs/dbraw/zinc/36/82/34/832368234.db2.gz WBCLRSBJIFCKRL-UHFFFAOYSA-N 1 3 338.456 -0.231 20 0 EBADHO CN1CCN(CCNC(=O)NCCN2CCC([NH3+])CC2)CC1(C)C ZINC001353402122 832426310 /nfs/dbraw/zinc/42/63/10/832426310.db2.gz HUORQBCVLGCKQN-UHFFFAOYSA-N 1 3 340.516 -0.265 20 0 EBADHO CN1CCC(NC(=O)c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nn2)CC1 ZINC001170778079 832525098 /nfs/dbraw/zinc/52/50/98/832525098.db2.gz KUXMYSIQEXZKBH-FZMZJTMJSA-N 1 3 334.424 -0.707 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001171216835 832551579 /nfs/dbraw/zinc/55/15/79/832551579.db2.gz IYWSVHRXJXLCHO-ZDUSSCGKSA-N 1 3 334.424 -0.147 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001171216835 832551586 /nfs/dbraw/zinc/55/15/86/832551586.db2.gz IYWSVHRXJXLCHO-ZDUSSCGKSA-N 1 3 334.424 -0.147 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174691913 832594478 /nfs/dbraw/zinc/59/44/78/832594478.db2.gz NOOIGILHSFTIGN-CYBMUJFWSA-N 1 3 328.413 -0.620 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001176986746 832725815 /nfs/dbraw/zinc/72/58/15/832725815.db2.gz VCWRDFBKLLUANH-UHFFFAOYSA-N 1 3 339.440 -0.980 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178357127 832852733 /nfs/dbraw/zinc/85/27/33/832852733.db2.gz WSOTYXVRMJSACM-SRVKXCTJSA-N 1 3 325.413 -0.885 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730767 832906156 /nfs/dbraw/zinc/90/61/56/832906156.db2.gz BRADOGDSXKYNDN-XQHKEYJVSA-N 1 3 339.440 -0.639 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730767 832906164 /nfs/dbraw/zinc/90/61/64/832906164.db2.gz BRADOGDSXKYNDN-XQHKEYJVSA-N 1 3 339.440 -0.639 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178990109 832938048 /nfs/dbraw/zinc/93/80/48/832938048.db2.gz HSWOWNSOQOJOAC-RWMBFGLXSA-N 1 3 341.456 -0.249 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C)N(C)C ZINC001178990025 832938188 /nfs/dbraw/zinc/93/81/88/832938188.db2.gz FOHKEHNGSIOAOT-YHUYYLMFSA-N 1 3 345.484 -0.071 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439177 832978346 /nfs/dbraw/zinc/97/83/46/832978346.db2.gz IPXOAPILQKBMAG-AGIUHOORSA-N 1 3 341.456 -0.249 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187083454 833897226 /nfs/dbraw/zinc/89/72/26/833897226.db2.gz JJUHPPBXTMBNHQ-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187083454 833897243 /nfs/dbraw/zinc/89/72/43/833897243.db2.gz JJUHPPBXTMBNHQ-UONOGXRCSA-N 1 3 346.497 -0.542 20 0 EBADHO CC(C)N1CC[C@H](N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187106776 833902047 /nfs/dbraw/zinc/90/20/47/833902047.db2.gz LMQVEUSAXVSKAS-CABCVRRESA-N 1 3 340.468 -0.236 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106392 834003996 /nfs/dbraw/zinc/00/39/96/834003996.db2.gz JJLGMPLMUKYMQU-CYBMUJFWSA-N 1 3 339.440 -0.492 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145747 834013199 /nfs/dbraw/zinc/01/31/99/834013199.db2.gz MRWLRSZJYNNGJE-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001213451733 837777395 /nfs/dbraw/zinc/77/73/95/837777395.db2.gz JHZSAYCBKMDVKP-IAGOWNOFSA-N 1 3 335.448 -0.031 20 0 EBADHO CO[C@@H]1CN(CCO)C[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001213451733 837777401 /nfs/dbraw/zinc/77/74/01/837777401.db2.gz JHZSAYCBKMDVKP-IAGOWNOFSA-N 1 3 335.448 -0.031 20 0 EBADHO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CN(C)CCc1ccccc1 ZINC001213451733 837777404 /nfs/dbraw/zinc/77/74/04/837777404.db2.gz JHZSAYCBKMDVKP-IAGOWNOFSA-N 1 3 335.448 -0.031 20 0 EBADHO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN(C)CCc1ccccc1 ZINC001213451733 837777408 /nfs/dbraw/zinc/77/74/08/837777408.db2.gz JHZSAYCBKMDVKP-IAGOWNOFSA-N 1 3 335.448 -0.031 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COCCOC)C1 ZINC001192970863 834773647 /nfs/dbraw/zinc/77/36/47/834773647.db2.gz ZLSPOLRIAFIYIO-CVEARBPZSA-N 1 3 345.484 -0.115 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COCCOC)C1 ZINC001192970863 834773653 /nfs/dbraw/zinc/77/36/53/834773653.db2.gz ZLSPOLRIAFIYIO-CVEARBPZSA-N 1 3 345.484 -0.115 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195677434 835271045 /nfs/dbraw/zinc/27/10/45/835271045.db2.gz PZGOQYFSXXUCDP-RRFJBIMHSA-N 1 3 325.453 -0.084 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001197825420 835613267 /nfs/dbraw/zinc/61/32/67/835613267.db2.gz DCFYTDREWSSVLC-BZUAXINKSA-N 1 3 343.468 -0.457 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001197825418 835613348 /nfs/dbraw/zinc/61/33/48/835613348.db2.gz DCFYTDREWSSVLC-ARFHVFGLSA-N 1 3 343.468 -0.457 20 0 EBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC001197826205 835613954 /nfs/dbraw/zinc/61/39/54/835613954.db2.gz QMZQXOABFYLKCC-BZUAXINKSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001199827012 835866455 /nfs/dbraw/zinc/86/64/55/835866455.db2.gz QTIPLMWWSILBJP-PWSUYJOCSA-N 1 3 325.413 -0.755 20 0 EBADHO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199826190 835866575 /nfs/dbraw/zinc/86/65/75/835866575.db2.gz IDIRATIAJSRSFN-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001199827014 835867156 /nfs/dbraw/zinc/86/71/56/835867156.db2.gz QTIPLMWWSILBJP-ZYHUDNBSSA-N 1 3 325.413 -0.755 20 0 EBADHO C[C@H]([NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1)C(N)=O ZINC001200687899 836016295 /nfs/dbraw/zinc/01/62/95/836016295.db2.gz HUAWFYPCQITQOQ-STQMWFEESA-N 1 3 326.441 -0.448 20 0 EBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688658 836016448 /nfs/dbraw/zinc/01/64/48/836016448.db2.gz SXVLTWLSYPUZIY-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001200850172 836045686 /nfs/dbraw/zinc/04/56/86/836045686.db2.gz FDXBFAZZDATPCW-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001200850172 836045695 /nfs/dbraw/zinc/04/56/95/836045695.db2.gz FDXBFAZZDATPCW-ZDUSSCGKSA-N 1 3 328.457 -0.330 20 0 EBADHO CN(C)C1(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CCC1 ZINC001201038177 836083243 /nfs/dbraw/zinc/08/32/43/836083243.db2.gz UHIIQZCHHLSWPG-UHFFFAOYSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001201052936 836085524 /nfs/dbraw/zinc/08/55/24/836085524.db2.gz IJMWBDRGVXYBRP-CYBMUJFWSA-N 1 3 325.413 -0.898 20 0 EBADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(=O)NC(N)=O ZINC001201053873 836085753 /nfs/dbraw/zinc/08/57/53/836085753.db2.gz ZVKJZEUIPMOVIX-ZWNOBZJWSA-N 1 3 339.440 -0.509 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001201150114 836103076 /nfs/dbraw/zinc/10/30/76/836103076.db2.gz XFDMJPVWKLEGMH-AAEUAGOBSA-N 1 3 341.456 -0.263 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201240525 836116708 /nfs/dbraw/zinc/11/67/08/836116708.db2.gz VKXAUYXQPKSJEW-CYBMUJFWSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262005 836119777 /nfs/dbraw/zinc/11/97/77/836119777.db2.gz RAGOVWSUTIRZCS-KGLIPLIRSA-N 1 3 340.468 -0.330 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001201277603 836121730 /nfs/dbraw/zinc/12/17/30/836121730.db2.gz VEIMWAGGHIGOLK-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CN1CC[C@H](NC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)C1=O ZINC001201277453 836122034 /nfs/dbraw/zinc/12/20/34/836122034.db2.gz SRNIUWRUMBDALJ-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)N(C)C ZINC001201334607 836129895 /nfs/dbraw/zinc/12/98/95/836129895.db2.gz KMKIIJJGRHTOLQ-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCCO1 ZINC001201343524 836132446 /nfs/dbraw/zinc/13/24/46/836132446.db2.gz HUDUTJNEJOYDBE-HRCADAONSA-N 1 3 345.484 -0.213 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+](CC)CC ZINC001201389837 836137913 /nfs/dbraw/zinc/13/79/13/836137913.db2.gz NCVUNVVZPYNXOS-KBPBESRZSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001201431234 836146292 /nfs/dbraw/zinc/14/62/92/836146292.db2.gz XGGJOJYGUNFQIG-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201677779 836174742 /nfs/dbraw/zinc/17/47/42/836174742.db2.gz DDKJZYQNVRBMOA-HNNXBMFYSA-N 1 3 331.457 -0.456 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001201808971 836195900 /nfs/dbraw/zinc/19/59/00/836195900.db2.gz IUGVAMJHNLSXOJ-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001201808971 836195903 /nfs/dbraw/zinc/19/59/03/836195903.db2.gz IUGVAMJHNLSXOJ-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@@H](NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1)C(N)=O ZINC001201809223 836196281 /nfs/dbraw/zinc/19/62/81/836196281.db2.gz LAKGUHNQAQPOCC-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CC[C@@H](NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1)C(N)=O ZINC001201809223 836196286 /nfs/dbraw/zinc/19/62/86/836196286.db2.gz LAKGUHNQAQPOCC-ZIAGYGMSSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001201931986 836217583 /nfs/dbraw/zinc/21/75/83/836217583.db2.gz QBFTXAQZISUIDQ-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201931452 836218027 /nfs/dbraw/zinc/21/80/27/836218027.db2.gz KBGFLGYHXNITJQ-HNNXBMFYSA-N 1 3 331.457 -0.456 20 0 EBADHO CN(CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)CC(C)(C)C ZINC001202526447 836311157 /nfs/dbraw/zinc/31/11/57/836311157.db2.gz ICCQAKWKEBFIHK-UHFFFAOYSA-N 1 3 341.456 -0.260 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001202668203 836333698 /nfs/dbraw/zinc/33/36/98/836333698.db2.gz RMXWDTNIIOOFRR-HNNXBMFYSA-N 1 3 349.435 -0.484 20 0 EBADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001203455591 836433597 /nfs/dbraw/zinc/43/35/97/836433597.db2.gz GXZPPONZFIBFGR-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203520999 836441850 /nfs/dbraw/zinc/44/18/50/836441850.db2.gz HSEXEAXYGHUQNC-RYUDHWBXSA-N 1 3 339.440 -0.460 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001204799536 836530029 /nfs/dbraw/zinc/53/00/29/836530029.db2.gz ZTUVBBLEJWYYEB-LBPRGKRZSA-N 1 3 325.413 -0.896 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688736 836846165 /nfs/dbraw/zinc/84/61/65/836846165.db2.gz RYQYGSPCZAEFIQ-RYUDHWBXSA-N 1 3 325.413 -0.883 20 0 EBADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001208330596 836997404 /nfs/dbraw/zinc/99/74/04/836997404.db2.gz ALEILBPQDFZZRG-NEPJUHHUSA-N 1 3 339.440 -0.365 20 0 EBADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001208328566 836997582 /nfs/dbraw/zinc/99/75/82/836997582.db2.gz FUGRGGWSRWPLRH-LLVKDONJSA-N 1 3 325.413 -0.754 20 0 EBADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001208330597 836998104 /nfs/dbraw/zinc/99/81/04/836998104.db2.gz ALEILBPQDFZZRG-NWDGAFQWSA-N 1 3 339.440 -0.365 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001208414797 837026499 /nfs/dbraw/zinc/02/64/99/837026499.db2.gz YBWKNLILQPRCON-VXGBXAGGSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209314920 837156051 /nfs/dbraw/zinc/15/60/51/837156051.db2.gz MPDFPIMZFNEJEF-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445687 837167899 /nfs/dbraw/zinc/16/78/99/837167899.db2.gz ODZMSVPVIAFNTG-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@H]1CN(C(=O)CN[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001209456217 837169975 /nfs/dbraw/zinc/16/99/75/837169975.db2.gz YEXYOZLXEVDVOU-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209633158 837183295 /nfs/dbraw/zinc/18/32/95/837183295.db2.gz SEJJAEISHWZVRJ-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209632922 837184055 /nfs/dbraw/zinc/18/40/55/837184055.db2.gz PBLGPNNASBFCGS-RYUDHWBXSA-N 1 3 325.413 -0.754 20 0 EBADHO C[C@@H](COCC(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001209714667 837193674 /nfs/dbraw/zinc/19/36/74/837193674.db2.gz ADERBVTWNGYOHY-UONOGXRCSA-N 1 3 326.441 -0.447 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001209835504 837204124 /nfs/dbraw/zinc/20/41/24/837204124.db2.gz CFTVDRGUPYMYRM-GFCCVEGCSA-N 1 3 348.407 -0.525 20 0 EBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210061043 837231640 /nfs/dbraw/zinc/23/16/40/837231640.db2.gz MXBWWVFYWLCFHW-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210217827 837256640 /nfs/dbraw/zinc/25/66/40/837256640.db2.gz MLHDRGMAYMUZNT-AWEZNQCLSA-N 1 3 348.513 -0.152 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217275 837257047 /nfs/dbraw/zinc/25/70/47/837257047.db2.gz GBXCGYONQBFQAT-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210493020 837290809 /nfs/dbraw/zinc/29/08/09/837290809.db2.gz HOYIWTSGBYEJIT-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210493020 837290811 /nfs/dbraw/zinc/29/08/11/837290811.db2.gz HOYIWTSGBYEJIT-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673882 837315190 /nfs/dbraw/zinc/31/51/90/837315190.db2.gz IZJJIRGHTUFSQH-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673882 837315201 /nfs/dbraw/zinc/31/52/01/837315201.db2.gz IZJJIRGHTUFSQH-STQMWFEESA-N 1 3 339.440 -0.636 20 0 EBADHO CN(C(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210669460 837315219 /nfs/dbraw/zinc/31/52/19/837315219.db2.gz XSCZNUKMDKEOOC-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685085 837320022 /nfs/dbraw/zinc/32/00/22/837320022.db2.gz MTYJQEWEURFWCU-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064750 837378591 /nfs/dbraw/zinc/37/85/91/837378591.db2.gz QLFMPIVABLNWLA-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064750 837378604 /nfs/dbraw/zinc/37/86/04/837378604.db2.gz QLFMPIVABLNWLA-CHWSQXEVSA-N 1 3 339.440 -0.636 20 0 EBADHO CN(CCC[NH2+]CC(=O)Nc1cnccn1)C(=O)CN1CCCC1 ZINC001322836660 839281848 /nfs/dbraw/zinc/28/18/48/839281848.db2.gz SDHGNPAGDRYDNH-UHFFFAOYSA-N 1 3 334.424 -0.051 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CCO)C1 ZINC001325201755 839817525 /nfs/dbraw/zinc/81/75/25/839817525.db2.gz QMHUHSWGOAYYNU-OAHLLOKOSA-N 1 3 342.484 -0.441 20 0 EBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001325560900 839890705 /nfs/dbraw/zinc/89/07/05/839890705.db2.gz DZLLIWSUEDIJBK-STQMWFEESA-N 1 3 334.424 -0.339 20 0 EBADHO CN1CCN(CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001326371495 840093445 /nfs/dbraw/zinc/09/34/45/840093445.db2.gz KWJNRRYGMYGGDL-AWEZNQCLSA-N 1 3 335.456 -0.430 20 0 EBADHO CCOC(=O)[C@H](N)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001327569320 840458313 /nfs/dbraw/zinc/45/83/13/840458313.db2.gz GYDWPNNLJIWJFG-CQSZACIVSA-N 1 3 326.441 -0.448 20 0 EBADHO C[NH+](C)CCC(=O)NC1(CNCCS(C)(=O)=O)CCOCC1 ZINC001327657191 840487255 /nfs/dbraw/zinc/48/72/55/840487255.db2.gz YVWGWWYNJSKBON-UHFFFAOYSA-N 1 3 335.470 -0.762 20 0 EBADHO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001329051511 840826432 /nfs/dbraw/zinc/82/64/32/840826432.db2.gz CBGNSXVQJHYIOJ-NEPJUHHUSA-N 1 3 339.440 -0.495 20 0 EBADHO Cc1noc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC001329131901 840850570 /nfs/dbraw/zinc/85/05/70/840850570.db2.gz BDBRHNLAVDVVMV-UHFFFAOYSA-N 1 3 340.428 -0.712 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001329923951 841062552 /nfs/dbraw/zinc/06/25/52/841062552.db2.gz LZBGBPBJFBOZPF-UHFFFAOYSA-N 1 3 338.412 -0.758 20 0 EBADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330528192 841228800 /nfs/dbraw/zinc/22/88/00/841228800.db2.gz KEBPEBZGAMSRAA-ZFWWWQNUSA-N 1 3 338.452 -0.528 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001330709654 841261525 /nfs/dbraw/zinc/26/15/25/841261525.db2.gz YIUHJCGDNMRGQJ-HDJSIYSDSA-N 1 3 325.457 -0.164 20 0 EBADHO CN1CCN(CCCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001332092880 841569850 /nfs/dbraw/zinc/56/98/50/841569850.db2.gz GRGLYIBRZCKIMN-OAHLLOKOSA-N 1 3 349.483 -0.040 20 0 EBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001332115880 841576978 /nfs/dbraw/zinc/57/69/78/841576978.db2.gz ISPFEKHGEPSENH-CYBMUJFWSA-N 1 3 325.457 -0.970 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332502324 841654927 /nfs/dbraw/zinc/65/49/27/841654927.db2.gz BLBKOJAYYGYPRD-LSDHHAIUSA-N 1 3 338.456 -0.440 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566222 841672388 /nfs/dbraw/zinc/67/23/88/841672388.db2.gz MPLRRGRQQJWISD-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332608928 841688147 /nfs/dbraw/zinc/68/81/47/841688147.db2.gz ZIKFBTUTHGXEFZ-CABCVRRESA-N 1 3 338.456 -0.439 20 0 EBADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001335214582 842227864 /nfs/dbraw/zinc/22/78/64/842227864.db2.gz AIPMABYEGZJGNP-UKRRQHHQSA-N 1 3 338.452 -0.447 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001335538388 842301391 /nfs/dbraw/zinc/30/13/91/842301391.db2.gz SVJJRMKNTJOQOK-HZPDHXFCSA-N 1 3 339.484 -0.478 20 0 EBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001335623971 842318935 /nfs/dbraw/zinc/31/89/35/842318935.db2.gz ZOUVNBMWUVYURS-HNNXBMFYSA-N 1 3 340.516 -0.265 20 0 EBADHO CN1CCN(CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1(C)C ZINC001335844183 842363430 /nfs/dbraw/zinc/36/34/30/842363430.db2.gz OWXRITFNASGBHJ-HNNXBMFYSA-N 1 3 329.485 -0.106 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001347062090 843585316 /nfs/dbraw/zinc/58/53/16/843585316.db2.gz CJSOAFQXZBNBDP-UHFFFAOYSA-N 1 3 327.473 -0.674 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691316727 1125849982 /nfs/dbraw/zinc/84/99/82/1125849982.db2.gz AHXGHQUBRPVQMG-LBPRGKRZSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001691316727 1125849983 /nfs/dbraw/zinc/84/99/83/1125849983.db2.gz AHXGHQUBRPVQMG-LBPRGKRZSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001691324762 1125851113 /nfs/dbraw/zinc/85/11/13/1125851113.db2.gz UPCIOYQBEXDNCA-ZIAGYGMSSA-N 1 3 346.497 -0.590 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001691324762 1125851115 /nfs/dbraw/zinc/85/11/15/1125851115.db2.gz UPCIOYQBEXDNCA-ZIAGYGMSSA-N 1 3 346.497 -0.590 20 0 EBADHO CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCCCN1C ZINC001481246983 1125952052 /nfs/dbraw/zinc/95/20/52/1125952052.db2.gz DVNSQTCJFGYZMQ-CQSZACIVSA-N 1 3 326.441 -0.623 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315046 1125971094 /nfs/dbraw/zinc/97/10/94/1125971094.db2.gz RGWVGDCHOQXCOW-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO CN(CCNCC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481315046 1125971095 /nfs/dbraw/zinc/97/10/95/1125971095.db2.gz RGWVGDCHOQXCOW-GFCCVEGCSA-N 1 3 341.456 -0.390 20 0 EBADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001481358292 1125978623 /nfs/dbraw/zinc/97/86/23/1125978623.db2.gz PZQBKZSEZPAOHB-LBPRGKRZSA-N 1 3 327.429 -0.650 20 0 EBADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001481358292 1125978626 /nfs/dbraw/zinc/97/86/26/1125978626.db2.gz PZQBKZSEZPAOHB-LBPRGKRZSA-N 1 3 327.429 -0.650 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481458465 1125993970 /nfs/dbraw/zinc/99/39/70/1125993970.db2.gz WDANZEBVVUKRQW-QWHCGFSZSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481458465 1125993972 /nfs/dbraw/zinc/99/39/72/1125993972.db2.gz WDANZEBVVUKRQW-QWHCGFSZSA-N 1 3 341.456 -0.260 20 0 EBADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC(N)=O ZINC001481880482 1126064200 /nfs/dbraw/zinc/06/42/00/1126064200.db2.gz FMMWJGWMSPLBPT-STQMWFEESA-N 1 3 341.456 -0.070 20 0 EBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001482354880 1126136990 /nfs/dbraw/zinc/13/69/90/1126136990.db2.gz ANZPHPUMEFWVKC-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001482737150 1126271866 /nfs/dbraw/zinc/27/18/66/1126271866.db2.gz GMWSZVIRQVQUBU-CYBMUJFWSA-N 1 3 328.457 -0.596 20 0 EBADHO C[C@@H]1CCCCN1C(=O)CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764405 1126281336 /nfs/dbraw/zinc/28/13/36/1126281336.db2.gz PVXGSDKBBAWHJL-ZIAGYGMSSA-N 1 3 328.457 -0.594 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775114 1126285104 /nfs/dbraw/zinc/28/51/04/1126285104.db2.gz OGMOOCYXMKEDCI-CABCVRRESA-N 1 3 340.468 -0.452 20 0 EBADHO CC[C@@H](C)NC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787880 1126291206 /nfs/dbraw/zinc/29/12/06/1126291206.db2.gz XJHOUTIARHCRAC-OLZOCXBDSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790834 1126292496 /nfs/dbraw/zinc/29/24/96/1126292496.db2.gz KMKANTBAWQISSZ-UONOGXRCSA-N 1 3 342.484 -0.443 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCC(=O)NCCC(C)(C)C)C1 ZINC001482790834 1126292497 /nfs/dbraw/zinc/29/24/97/1126292497.db2.gz KMKANTBAWQISSZ-UONOGXRCSA-N 1 3 342.484 -0.443 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001482868532 1126299201 /nfs/dbraw/zinc/29/92/01/1126299201.db2.gz VIQKATLZTBOAAU-GOEBONIOSA-N 1 3 342.484 -0.084 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049935 1126322921 /nfs/dbraw/zinc/32/29/21/1126322921.db2.gz CHYMYSYAVPFKMW-FYJZFVKYSA-N 1 3 336.436 -0.216 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001483049935 1126322923 /nfs/dbraw/zinc/32/29/23/1126322923.db2.gz CHYMYSYAVPFKMW-FYJZFVKYSA-N 1 3 336.436 -0.216 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001483132961 1126342374 /nfs/dbraw/zinc/34/23/74/1126342374.db2.gz JVFYVSOXFHCWOR-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001483132961 1126342376 /nfs/dbraw/zinc/34/23/76/1126342376.db2.gz JVFYVSOXFHCWOR-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483178853 1126350900 /nfs/dbraw/zinc/35/09/00/1126350900.db2.gz YBYGDEUPEAAFJS-CHWSQXEVSA-N 1 3 328.457 -0.332 20 0 EBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001483274138 1126412841 /nfs/dbraw/zinc/41/28/41/1126412841.db2.gz NFXZWZFVZGGPHS-ZDUSSCGKSA-N 1 3 336.440 -0.615 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483296185 1126415096 /nfs/dbraw/zinc/41/50/96/1126415096.db2.gz AFBHQRFNUWAXMZ-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CN(CCC[NH2+]CCN1CCCS1(=O)=O)C(=O)CN1CCCC1 ZINC001483509836 1126432405 /nfs/dbraw/zinc/43/24/05/1126432405.db2.gz PPVSHFGAZKQNFU-UHFFFAOYSA-N 1 3 346.497 -0.444 20 0 EBADHO CS(=O)(=O)NCCNC1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001483748791 1126468821 /nfs/dbraw/zinc/46/88/21/1126468821.db2.gz ANSKYYXWMXQGAG-UHFFFAOYSA-N 1 3 344.481 -0.598 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483941972 1126491608 /nfs/dbraw/zinc/49/16/08/1126491608.db2.gz BAJLOIZNNWQOBI-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001484660925 1126615035 /nfs/dbraw/zinc/61/50/35/1126615035.db2.gz WAJBUTBFVBSEFI-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO CNC(=O)NC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001484660925 1126615036 /nfs/dbraw/zinc/61/50/36/1126615036.db2.gz WAJBUTBFVBSEFI-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCC(=O)NCC)C1 ZINC001484678317 1126618907 /nfs/dbraw/zinc/61/89/07/1126618907.db2.gz KPENFQJJLOMABI-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCC(=O)NCC)C1 ZINC001484678317 1126618909 /nfs/dbraw/zinc/61/89/09/1126618909.db2.gz KPENFQJJLOMABI-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CN[C@@H]3CCCNC3=O)C2)CC1 ZINC001484686132 1126621736 /nfs/dbraw/zinc/62/17/36/1126621736.db2.gz PENBUHPDGCWQLR-UONOGXRCSA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700857 1126622727 /nfs/dbraw/zinc/62/27/27/1126622727.db2.gz UOUZOSOCZUVFGB-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCC(=O)NC(N)=O ZINC001484893446 1126650907 /nfs/dbraw/zinc/65/09/07/1126650907.db2.gz BPBNNGAYZYZKAO-RYUDHWBXSA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001484961725 1126656470 /nfs/dbraw/zinc/65/64/70/1126656470.db2.gz KNOLUESRWJPMAX-UHFFFAOYSA-N 1 3 340.468 -0.593 20 0 EBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001484963242 1126656937 /nfs/dbraw/zinc/65/69/37/1126656937.db2.gz NCVBIJULBWKHCU-CYBMUJFWSA-N 1 3 326.441 -0.840 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001484964304 1126657038 /nfs/dbraw/zinc/65/70/38/1126657038.db2.gz HGMHMRMSSWPHMX-AWEZNQCLSA-N 1 3 342.484 -0.254 20 0 EBADHO C[NH+](C)CCCC(=O)N1CCC(O)(CNCC(=O)N2CCC2)CC1 ZINC001484958934 1126659150 /nfs/dbraw/zinc/65/91/50/1126659150.db2.gz BADSFYVFBACBRN-UHFFFAOYSA-N 1 3 340.468 -0.496 20 0 EBADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485102866 1126673821 /nfs/dbraw/zinc/67/38/21/1126673821.db2.gz VKNGNHKBIOZEGF-HSBZDZAISA-N 1 3 346.497 -0.638 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(OCCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001485444465 1126717300 /nfs/dbraw/zinc/71/73/00/1126717300.db2.gz KQNOPSBOXDLANH-HNNXBMFYSA-N 1 3 349.435 -0.172 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)CCNS(C)(=O)=O)CC1 ZINC001485765945 1126828297 /nfs/dbraw/zinc/82/82/97/1126828297.db2.gz SLMJHBFYCQDBEB-UHFFFAOYSA-N 1 3 348.513 -0.200 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)CCNS(C)(=O)=O)CC1 ZINC001485765945 1126828302 /nfs/dbraw/zinc/82/83/02/1126828302.db2.gz SLMJHBFYCQDBEB-UHFFFAOYSA-N 1 3 348.513 -0.200 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001485854814 1126897340 /nfs/dbraw/zinc/89/73/40/1126897340.db2.gz HJQHHPJFUDNSTB-RYUDHWBXSA-N 1 3 327.429 -0.637 20 0 EBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001485881250 1126905047 /nfs/dbraw/zinc/90/50/47/1126905047.db2.gz DORKIOVXSPOYRR-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001485927565 1126917436 /nfs/dbraw/zinc/91/74/36/1126917436.db2.gz PZAQIYHMWMDROF-RYUDHWBXSA-N 1 3 328.438 -0.177 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001486093761 1127031556 /nfs/dbraw/zinc/03/15/56/1127031556.db2.gz ZVZZSAFCFNOSKR-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001486093761 1127031560 /nfs/dbraw/zinc/03/15/60/1127031560.db2.gz ZVZZSAFCFNOSKR-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133365 1127044160 /nfs/dbraw/zinc/04/41/60/1127044160.db2.gz BJXVPNDPNLUHDT-STQMWFEESA-N 1 3 341.456 -0.249 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)CCC1 ZINC001486280996 1127077356 /nfs/dbraw/zinc/07/73/56/1127077356.db2.gz LHKWMPTWGIUUAH-AWEZNQCLSA-N 1 3 340.468 -0.500 20 0 EBADHO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)C(C)(C)N1CCCC1 ZINC001486293495 1127101706 /nfs/dbraw/zinc/10/17/06/1127101706.db2.gz XCHMDMCMXITJMI-CQSZACIVSA-N 1 3 338.456 -0.439 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486309907 1127114268 /nfs/dbraw/zinc/11/42/68/1127114268.db2.gz MWXNKPVLXRXWFL-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486309907 1127114270 /nfs/dbraw/zinc/11/42/70/1127114270.db2.gz MWXNKPVLXRXWFL-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@H](NCC(=O)N1CCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164668 1127623432 /nfs/dbraw/zinc/62/34/32/1127623432.db2.gz PFWWILPQXVBVKO-KBPBESRZSA-N 1 3 326.441 -0.624 20 0 EBADHO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001410151347 1127629678 /nfs/dbraw/zinc/62/96/78/1127629678.db2.gz LBTXLDYWVOCXTR-HIFRSBDPSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001410218935 1127645911 /nfs/dbraw/zinc/64/59/11/1127645911.db2.gz HSBIWVKFHRRYOF-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001411072301 1128001634 /nfs/dbraw/zinc/00/16/34/1128001634.db2.gz VBKXCHHUGUMJGR-VHDGCEQUSA-N 1 3 340.468 -0.644 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001411072301 1128001636 /nfs/dbraw/zinc/00/16/36/1128001636.db2.gz VBKXCHHUGUMJGR-VHDGCEQUSA-N 1 3 340.468 -0.644 20 0 EBADHO CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001411082651 1128007538 /nfs/dbraw/zinc/00/75/38/1128007538.db2.gz PJSAVZAFAFHFEB-ZIAGYGMSSA-N 1 3 338.452 -0.840 20 0 EBADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001488100907 1128617720 /nfs/dbraw/zinc/61/77/20/1128617720.db2.gz XMSIPATZFFYYQI-ZIAGYGMSSA-N 1 3 340.468 -0.737 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001488383177 1128760031 /nfs/dbraw/zinc/76/00/31/1128760031.db2.gz QOIKTLNDVPJCTL-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001488383177 1128760034 /nfs/dbraw/zinc/76/00/34/1128760034.db2.gz QOIKTLNDVPJCTL-LSDHHAIUSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](OCC)C1 ZINC001489009045 1128897913 /nfs/dbraw/zinc/89/79/13/1128897913.db2.gz BKTCRMFPBHZJAF-QLFBSQMISA-N 1 3 340.468 -0.201 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001489077899 1128906548 /nfs/dbraw/zinc/90/65/48/1128906548.db2.gz JVOFYELRQXWQHO-LBPRGKRZSA-N 1 3 337.424 -0.388 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001489077899 1128906550 /nfs/dbraw/zinc/90/65/50/1128906550.db2.gz JVOFYELRQXWQHO-LBPRGKRZSA-N 1 3 337.424 -0.388 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](CCO)CCCO)C2)C1 ZINC001489171603 1128916288 /nfs/dbraw/zinc/91/62/88/1128916288.db2.gz ZMRGKFCLRDQHRI-CVEARBPZSA-N 1 3 327.469 -0.004 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](CCO)CCCO)C2)C1 ZINC001489171603 1128916291 /nfs/dbraw/zinc/91/62/91/1128916291.db2.gz ZMRGKFCLRDQHRI-CVEARBPZSA-N 1 3 327.469 -0.004 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001489396559 1128976598 /nfs/dbraw/zinc/97/65/98/1128976598.db2.gz MFQBQXKBPSGDTE-KBUPBQIOSA-N 1 3 342.484 -0.399 20 0 EBADHO CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001489521932 1128992824 /nfs/dbraw/zinc/99/28/24/1128992824.db2.gz CSTARQSXJWEBKE-RBSFLKMASA-N 1 3 340.468 -0.380 20 0 EBADHO CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001489521932 1128992827 /nfs/dbraw/zinc/99/28/27/1128992827.db2.gz CSTARQSXJWEBKE-RBSFLKMASA-N 1 3 340.468 -0.380 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001490250149 1129152528 /nfs/dbraw/zinc/15/25/28/1129152528.db2.gz CZUVJMKKLIVZHF-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001490250149 1129152530 /nfs/dbraw/zinc/15/25/30/1129152530.db2.gz CZUVJMKKLIVZHF-ZDUSSCGKSA-N 1 3 339.440 -0.682 20 0 EBADHO COC(=O)CNC(=O)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001413236771 1129961122 /nfs/dbraw/zinc/96/11/22/1129961122.db2.gz VVXJGVMBIGAYMX-UHFFFAOYSA-N 1 3 327.425 -0.101 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001490890367 1130211955 /nfs/dbraw/zinc/21/19/55/1130211955.db2.gz UYZGHRLUWBNXLC-AAVRWANBSA-N 1 3 346.435 -0.008 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001490890367 1130211963 /nfs/dbraw/zinc/21/19/63/1130211963.db2.gz UYZGHRLUWBNXLC-AAVRWANBSA-N 1 3 346.435 -0.008 20 0 EBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CCC1 ZINC001490897460 1130229210 /nfs/dbraw/zinc/22/92/10/1130229210.db2.gz IUVCCSGCYKHZOA-RBSFLKMASA-N 1 3 335.452 -0.035 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001491029826 1130297058 /nfs/dbraw/zinc/29/70/58/1130297058.db2.gz JXWBZZYMVUAECS-HZSPNIEDSA-N 1 3 326.441 -0.578 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)N(C)C ZINC001366125622 1133017552 /nfs/dbraw/zinc/01/75/52/1133017552.db2.gz PWLWBLTWVOKWRY-TUVASFSCSA-N 1 3 340.468 -0.284 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001366365727 1133113508 /nfs/dbraw/zinc/11/35/08/1133113508.db2.gz KUYLHPUGZWRKCV-UONOGXRCSA-N 1 3 348.513 -0.298 20 0 EBADHO O=C(CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NC(=O)NC1CC1 ZINC001366388661 1133125165 /nfs/dbraw/zinc/12/51/65/1133125165.db2.gz RFQIHGSNMFWTEK-ZDUSSCGKSA-N 1 3 349.435 -0.739 20 0 EBADHO CN(CCN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001366395401 1133128187 /nfs/dbraw/zinc/12/81/87/1133128187.db2.gz ZOLUPQRRZOLOGE-STQMWFEESA-N 1 3 332.470 -0.980 20 0 EBADHO CN(CCN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001366395401 1133128191 /nfs/dbraw/zinc/12/81/91/1133128191.db2.gz ZOLUPQRRZOLOGE-STQMWFEESA-N 1 3 332.470 -0.980 20 0 EBADHO CN(CCN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001366395400 1133128379 /nfs/dbraw/zinc/12/83/79/1133128379.db2.gz ZOLUPQRRZOLOGE-OLZOCXBDSA-N 1 3 332.470 -0.980 20 0 EBADHO CN(CCN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001366395400 1133128385 /nfs/dbraw/zinc/12/83/85/1133128385.db2.gz ZOLUPQRRZOLOGE-OLZOCXBDSA-N 1 3 332.470 -0.980 20 0 EBADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513000 1133163297 /nfs/dbraw/zinc/16/32/97/1133163297.db2.gz XXXDLXOOTLWXPO-GHMZBOCLSA-N 1 3 340.453 -0.087 20 0 EBADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)Nc1nncs1 ZINC001366513000 1133163300 /nfs/dbraw/zinc/16/33/00/1133163300.db2.gz XXXDLXOOTLWXPO-GHMZBOCLSA-N 1 3 340.453 -0.087 20 0 EBADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001366852581 1133320551 /nfs/dbraw/zinc/32/05/51/1133320551.db2.gz MHVUUGHGDBZESV-QWHCGFSZSA-N 1 3 341.456 -0.260 20 0 EBADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001366852581 1133320554 /nfs/dbraw/zinc/32/05/54/1133320554.db2.gz MHVUUGHGDBZESV-QWHCGFSZSA-N 1 3 341.456 -0.260 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001367223372 1133506905 /nfs/dbraw/zinc/50/69/05/1133506905.db2.gz XBSPWIQPDYUEKW-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001367376860 1133570248 /nfs/dbraw/zinc/57/02/48/1133570248.db2.gz NXFKDIKNBCNBCP-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367401884 1133579587 /nfs/dbraw/zinc/57/95/87/1133579587.db2.gz YVKNXYKSIYQXHX-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367401884 1133579593 /nfs/dbraw/zinc/57/95/93/1133579593.db2.gz YVKNXYKSIYQXHX-RYUDHWBXSA-N 1 3 327.429 -0.780 20 0 EBADHO CC(C)(C)NC(=O)CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001367609550 1133689553 /nfs/dbraw/zinc/68/95/53/1133689553.db2.gz RBNXNLUNPKFHHF-ZDUSSCGKSA-N 1 3 340.468 -0.404 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001367617014 1133699038 /nfs/dbraw/zinc/69/90/38/1133699038.db2.gz BXERIDSVYMMEHF-NXEZZACHSA-N 1 3 338.330 -0.359 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367618373 1133700840 /nfs/dbraw/zinc/70/08/40/1133700840.db2.gz CYWQNWYSBFJGJQ-ZBFHGGJFSA-N 1 3 338.452 -0.462 20 0 EBADHO C[NH+]1CCC(OCC(=O)NC[C@@H](O)CNCc2cncs2)CC1 ZINC001367619426 1133702900 /nfs/dbraw/zinc/70/29/00/1133702900.db2.gz QRNFSPRILVHVAO-LBPRGKRZSA-N 1 3 342.465 -0.179 20 0 EBADHO CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001367683579 1133744971 /nfs/dbraw/zinc/74/49/71/1133744971.db2.gz DJFCVRSLYJXCAB-LLVKDONJSA-N 1 3 325.413 -0.896 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367713043 1133755955 /nfs/dbraw/zinc/75/59/55/1133755955.db2.gz UFHFMOLBNXKNSS-NEPJUHHUSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367713043 1133755960 /nfs/dbraw/zinc/75/59/60/1133755960.db2.gz UFHFMOLBNXKNSS-NEPJUHHUSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367730934 1133763416 /nfs/dbraw/zinc/76/34/16/1133763416.db2.gz GUXNXWNTGGSKGA-STQMWFEESA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367730934 1133763421 /nfs/dbraw/zinc/76/34/21/1133763421.db2.gz GUXNXWNTGGSKGA-STQMWFEESA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001367775897 1133781519 /nfs/dbraw/zinc/78/15/19/1133781519.db2.gz KHOFFKFOEJVFFN-HNNXBMFYSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105063 1133940630 /nfs/dbraw/zinc/94/06/30/1133940630.db2.gz CWKYQKSFWDTSNL-YPMHNXCESA-N 1 3 339.440 -0.508 20 0 EBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001368110409 1133943592 /nfs/dbraw/zinc/94/35/92/1133943592.db2.gz QMBWOYZYANCPFS-LBPRGKRZSA-N 1 3 339.440 -0.636 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121740 1133947271 /nfs/dbraw/zinc/94/72/71/1133947271.db2.gz HIVJSFCEACVBRS-RYUDHWBXSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121740 1133947279 /nfs/dbraw/zinc/94/72/79/1133947279.db2.gz HIVJSFCEACVBRS-RYUDHWBXSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121729 1133947415 /nfs/dbraw/zinc/94/74/15/1133947415.db2.gz HIVJSFCEACVBRS-NEPJUHHUSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC(N)=O)C1 ZINC001368121729 1133947419 /nfs/dbraw/zinc/94/74/19/1133947419.db2.gz HIVJSFCEACVBRS-NEPJUHHUSA-N 1 3 325.413 -0.896 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144840 1133957501 /nfs/dbraw/zinc/95/75/01/1133957501.db2.gz MFBLYOPVMBYLJD-JKSUJKDBSA-N 1 3 344.475 -0.123 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001368144840 1133957507 /nfs/dbraw/zinc/95/75/07/1133957507.db2.gz MFBLYOPVMBYLJD-JKSUJKDBSA-N 1 3 344.475 -0.123 20 0 EBADHO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(CCn3cccn3)C2)CC1 ZINC001368267512 1134067600 /nfs/dbraw/zinc/06/76/00/1134067600.db2.gz WINPPONWAQYOEZ-KRWDZBQOSA-N 1 3 335.452 -0.222 20 0 EBADHO C[C@H]([NH2+]CCS(C)(=O)=O)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368332336 1134153218 /nfs/dbraw/zinc/15/32/18/1134153218.db2.gz HUDKMZDXKVMKKI-RYUDHWBXSA-N 1 3 328.438 -0.177 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001368520695 1134271487 /nfs/dbraw/zinc/27/14/87/1134271487.db2.gz CPPRNJCSYOKWLS-UTUOFQBUSA-N 1 3 327.429 -0.604 20 0 EBADHO C[C@H](NC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523341 1134274164 /nfs/dbraw/zinc/27/41/64/1134274164.db2.gz XQBFBCCPBRCDOJ-GJZGRUSLSA-N 1 3 340.468 -0.057 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001368563250 1134291459 /nfs/dbraw/zinc/29/14/59/1134291459.db2.gz AMCIXKJYVMPYEJ-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001368563250 1134291461 /nfs/dbraw/zinc/29/14/61/1134291461.db2.gz AMCIXKJYVMPYEJ-HUUCEWRRSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)CN[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001368664564 1134363554 /nfs/dbraw/zinc/36/35/54/1134363554.db2.gz YFNODQVEEVRHCJ-HIFRSBDPSA-N 1 3 340.468 -0.330 20 0 EBADHO CCNC(=O)CN[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001368664567 1134363898 /nfs/dbraw/zinc/36/38/98/1134363898.db2.gz YFNODQVEEVRHCJ-ZFWWWQNUSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H](NCC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C(N)=O ZINC001368681345 1134379073 /nfs/dbraw/zinc/37/90/73/1134379073.db2.gz BHKGBTFXORGAQO-ZDUSSCGKSA-N 1 3 338.452 -0.568 20 0 EBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001368683058 1134380774 /nfs/dbraw/zinc/38/07/74/1134380774.db2.gz QKWQTAZVSFAAQF-UHFFFAOYSA-N 1 3 340.468 -0.496 20 0 EBADHO CC[C@H](C)NC(=O)CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368695609 1134397231 /nfs/dbraw/zinc/39/72/31/1134397231.db2.gz UYVJKHXTJBVPBQ-AWEZNQCLSA-N 1 3 342.484 -0.204 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894816 1134477820 /nfs/dbraw/zinc/47/78/20/1134477820.db2.gz NOLLHQRQGZVCRR-UONOGXRCSA-N 1 3 348.513 -0.155 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155562 1134596866 /nfs/dbraw/zinc/59/68/66/1134596866.db2.gz JUVUBNIGPXDPNB-CABCVRRESA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369363940 1134717666 /nfs/dbraw/zinc/71/76/66/1134717666.db2.gz OMBODCTXKDWPDG-GJZGRUSLSA-N 1 3 338.456 -0.392 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)NCc1cncs1 ZINC001369381103 1134742374 /nfs/dbraw/zinc/74/23/74/1134742374.db2.gz ITADAKRHIXTEMY-STQMWFEESA-N 1 3 342.465 -0.322 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001369401928 1134760917 /nfs/dbraw/zinc/76/09/17/1134760917.db2.gz NDOBTMJBEPZHBC-CHWSQXEVSA-N 1 3 338.456 -0.081 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001369401928 1134760923 /nfs/dbraw/zinc/76/09/23/1134760923.db2.gz NDOBTMJBEPZHBC-CHWSQXEVSA-N 1 3 338.456 -0.081 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406749 1134763939 /nfs/dbraw/zinc/76/39/39/1134763939.db2.gz RCBOPFRVOAXXDA-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468744 1134817530 /nfs/dbraw/zinc/81/75/30/1134817530.db2.gz FUTDGVYFEIXITE-KBPBESRZSA-N 1 3 340.468 -0.500 20 0 EBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001369470290 1134821118 /nfs/dbraw/zinc/82/11/18/1134821118.db2.gz DZWDUBWSWPLUQX-CYBMUJFWSA-N 1 3 328.457 -0.466 20 0 EBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001369470290 1134821127 /nfs/dbraw/zinc/82/11/27/1134821127.db2.gz DZWDUBWSWPLUQX-CYBMUJFWSA-N 1 3 328.457 -0.466 20 0 EBADHO CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480523 1134846823 /nfs/dbraw/zinc/84/68/23/1134846823.db2.gz OGTLJJJGYZXPBI-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369480523 1134846837 /nfs/dbraw/zinc/84/68/37/1134846837.db2.gz OGTLJJJGYZXPBI-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001369484216 1134853002 /nfs/dbraw/zinc/85/30/02/1134853002.db2.gz PTKVKORFRYPFLZ-GXTWGEPZSA-N 1 3 326.441 -0.984 20 0 EBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001369489552 1134863414 /nfs/dbraw/zinc/86/34/14/1134863414.db2.gz XOXSQFZDDQIIPW-CABCVRRESA-N 1 3 342.484 -0.252 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370366402 1135320712 /nfs/dbraw/zinc/32/07/12/1135320712.db2.gz YFUKDPNOJOZAAK-AVGNSLFASA-N 1 3 341.456 -0.393 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001370480408 1135369142 /nfs/dbraw/zinc/36/91/42/1135369142.db2.gz AQDHSMYDQJTRTI-XYPYZODXSA-N 1 3 325.413 -0.837 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001370545038 1135403082 /nfs/dbraw/zinc/40/30/82/1135403082.db2.gz DJNJOWQAMFNUFG-KKOKHZNYSA-N 1 3 327.429 -0.607 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001370565757 1135411736 /nfs/dbraw/zinc/41/17/36/1135411736.db2.gz QXOOGFGFUCMSFJ-RBSFLKMASA-N 1 3 340.468 -0.189 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001370647158 1135449901 /nfs/dbraw/zinc/44/99/01/1135449901.db2.gz FKVOVSPLRBOTLY-MJBXVCDLSA-N 1 3 325.457 -0.165 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001370701911 1135518285 /nfs/dbraw/zinc/51/82/85/1135518285.db2.gz GHGNOWNVUOIYAD-MCIONIFRSA-N 1 3 346.435 -0.006 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cnccn3)C2)C1 ZINC001370701911 1135518287 /nfs/dbraw/zinc/51/82/87/1135518287.db2.gz GHGNOWNVUOIYAD-MCIONIFRSA-N 1 3 346.435 -0.006 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001370728254 1135556677 /nfs/dbraw/zinc/55/66/77/1135556677.db2.gz HSERAVWKMZYWSH-KGLIPLIRSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001370728254 1135556684 /nfs/dbraw/zinc/55/66/84/1135556684.db2.gz HSERAVWKMZYWSH-KGLIPLIRSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O)[NH+](C)C ZINC001370964442 1135715376 /nfs/dbraw/zinc/71/53/76/1135715376.db2.gz OTKOBWDHXWCPEP-JSGCOSHPSA-N 1 3 341.456 -0.262 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001371178443 1135857367 /nfs/dbraw/zinc/85/73/67/1135857367.db2.gz LLDXFOPXNQNVJD-WCQYABFASA-N 1 3 339.440 -0.732 20 0 EBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001371263586 1135874397 /nfs/dbraw/zinc/87/43/97/1135874397.db2.gz ZRTMKERYJYMAPX-TZMCWYRMSA-N 1 3 328.457 -0.284 20 0 EBADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N1CCOCC1 ZINC001371366524 1135897561 /nfs/dbraw/zinc/89/75/61/1135897561.db2.gz XBTBLKFUGHMBNR-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1O)N(C)C ZINC001371468402 1135927718 /nfs/dbraw/zinc/92/77/18/1135927718.db2.gz HSCPLEJSGDLEGC-HZSPNIEDSA-N 1 3 342.484 -0.255 20 0 EBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1O)N(C)C ZINC001371468402 1135927721 /nfs/dbraw/zinc/92/77/21/1135927721.db2.gz HSCPLEJSGDLEGC-HZSPNIEDSA-N 1 3 342.484 -0.255 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001371472306 1135929631 /nfs/dbraw/zinc/92/96/31/1135929631.db2.gz HLTUABHUXGQIRN-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533350 1135957148 /nfs/dbraw/zinc/95/71/48/1135957148.db2.gz XNPKYXKMYUMMKG-STQMWFEESA-N 1 3 341.456 -0.249 20 0 EBADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)C[C@@H](O)Cn1cccn1 ZINC001372032073 1136093403 /nfs/dbraw/zinc/09/34/03/1136093403.db2.gz ZRUCFEBUUMTSOX-OAHLLOKOSA-N 1 3 335.452 -0.080 20 0 EBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001372943626 1136333601 /nfs/dbraw/zinc/33/36/01/1136333601.db2.gz GTPSQEXGMWSTLG-SRVKXCTJSA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001372943626 1136333604 /nfs/dbraw/zinc/33/36/04/1136333604.db2.gz GTPSQEXGMWSTLG-SRVKXCTJSA-N 1 3 327.429 -0.652 20 0 EBADHO CN(CC(=O)NC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001373330082 1136429654 /nfs/dbraw/zinc/42/96/54/1136429654.db2.gz NGQFQGNVYYVWPZ-ZDUSSCGKSA-N 1 3 339.440 -0.697 20 0 EBADHO CN(CC(=O)NC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001373330082 1136429657 /nfs/dbraw/zinc/42/96/57/1136429657.db2.gz NGQFQGNVYYVWPZ-ZDUSSCGKSA-N 1 3 339.440 -0.697 20 0 EBADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC(N)=O ZINC001373753579 1136553474 /nfs/dbraw/zinc/55/34/74/1136553474.db2.gz OTTFNYAJEDTINF-NWDGAFQWSA-N 1 3 325.413 -0.993 20 0 EBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001374253136 1136659168 /nfs/dbraw/zinc/65/91/68/1136659168.db2.gz PKCUZRAPVBOCDC-WCQYABFASA-N 1 3 341.456 -0.249 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001374685618 1136801054 /nfs/dbraw/zinc/80/10/54/1136801054.db2.gz PNVMIZKUSPLNFD-HNNXBMFYSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)CNCc1nccs1 ZINC001374685989 1136801673 /nfs/dbraw/zinc/80/16/73/1136801673.db2.gz RQWJNHYHFILGCN-STQMWFEESA-N 1 3 342.465 -0.322 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374978008 1136888098 /nfs/dbraw/zinc/88/80/98/1136888098.db2.gz UFHFMOLBNXKNSS-NWDGAFQWSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374978008 1136888102 /nfs/dbraw/zinc/88/81/02/1136888102.db2.gz UFHFMOLBNXKNSS-NWDGAFQWSA-N 1 3 341.456 -0.343 20 0 EBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000643577008 375910606 /nfs/dbraw/zinc/91/06/06/375910606.db2.gz YNFXLROKIJMJRF-KBPBESRZSA-N 1 3 325.457 -0.923 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCSC1 ZINC000642768959 376087820 /nfs/dbraw/zinc/08/78/20/376087820.db2.gz VEHWPQNVUDJLFI-XUJVJEKNSA-N 1 3 326.466 -0.640 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCSC1 ZINC000642768969 376087972 /nfs/dbraw/zinc/08/79/72/376087972.db2.gz XUMPNJGJADKEAN-DOMZBBRYSA-N 1 3 328.482 -0.202 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](CN)C1 ZINC000584043466 376061245 /nfs/dbraw/zinc/06/12/45/376061245.db2.gz XFBOTRPACNDGRU-RDBSUJKOSA-N 1 3 325.457 -0.923 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642792267 376179327 /nfs/dbraw/zinc/17/93/27/376179327.db2.gz HKSTTWRSYNHBJI-UONOGXRCSA-N 1 3 326.441 -0.719 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000642887395 376452784 /nfs/dbraw/zinc/45/27/84/376452784.db2.gz QVHHJWJADJHFKV-FQUUOJAGSA-N 1 3 338.452 -0.041 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000642887395 376452797 /nfs/dbraw/zinc/45/27/97/376452797.db2.gz QVHHJWJADJHFKV-FQUUOJAGSA-N 1 3 338.452 -0.041 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000642887396 376454087 /nfs/dbraw/zinc/45/40/87/376454087.db2.gz QVHHJWJADJHFKV-IGQOVBAYSA-N 1 3 338.452 -0.041 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000642887396 376454094 /nfs/dbraw/zinc/45/40/94/376454094.db2.gz QVHHJWJADJHFKV-IGQOVBAYSA-N 1 3 338.452 -0.041 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000559925742 376614381 /nfs/dbraw/zinc/61/43/81/376614381.db2.gz SEBLYPRTCYIYLD-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000559925742 376614392 /nfs/dbraw/zinc/61/43/92/376614392.db2.gz SEBLYPRTCYIYLD-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642917461 376748496 /nfs/dbraw/zinc/74/84/96/376748496.db2.gz VWIACPWMJYTEOP-HNNXBMFYSA-N 1 3 339.484 -0.659 20 0 EBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642946650 377018960 /nfs/dbraw/zinc/01/89/60/377018960.db2.gz AVUGIXVVSAUNCH-CABCVRRESA-N 1 3 339.484 -0.676 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000569677946 377087690 /nfs/dbraw/zinc/08/76/90/377087690.db2.gz KWPMOJDDCWEQSC-HUUCEWRRSA-N 1 3 341.500 -0.428 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000575015173 377316204 /nfs/dbraw/zinc/31/62/04/377316204.db2.gz OYCJXEQVGFCLDS-UHFFFAOYSA-N 1 3 339.484 -0.755 20 0 EBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642986982 377442780 /nfs/dbraw/zinc/44/27/80/377442780.db2.gz ZHBNHEOMZLMDLX-DZGCQCFKSA-N 1 3 331.420 -0.156 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000602513107 378363187 /nfs/dbraw/zinc/36/31/87/378363187.db2.gz ZLSSPSYOUMPXFH-UHFFFAOYSA-N 1 3 326.441 -0.717 20 0 EBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCOCC[NH+](C)C ZINC000471643386 379064865 /nfs/dbraw/zinc/06/48/65/379064865.db2.gz HTRITXVTGYQWHA-OAHLLOKOSA-N 1 3 329.489 -0.110 20 0 EBADHO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCCCN2CCO)CC1=O ZINC000452793211 379099055 /nfs/dbraw/zinc/09/90/55/379099055.db2.gz HHPDTRNWFOZVRJ-LSDHHAIUSA-N 1 3 340.468 -0.641 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629788332 379132397 /nfs/dbraw/zinc/13/23/97/379132397.db2.gz PGJFRJYVKROESO-GHMZBOCLSA-N 1 3 338.374 -0.008 20 0 EBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000629787141 379132525 /nfs/dbraw/zinc/13/25/25/379132525.db2.gz SPVMVFOVUPWLEB-UHFFFAOYSA-N 1 3 335.408 -0.836 20 0 EBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000458447934 379224252 /nfs/dbraw/zinc/22/42/52/379224252.db2.gz XBPWZGXCGSYJBQ-GJZGRUSLSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000458447934 379224260 /nfs/dbraw/zinc/22/42/60/379224260.db2.gz XBPWZGXCGSYJBQ-GJZGRUSLSA-N 1 3 328.457 -0.147 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN1C(=O)CNC1=O ZINC000607242029 379251349 /nfs/dbraw/zinc/25/13/49/379251349.db2.gz GRADQBYAQGQUTB-UHFFFAOYSA-N 1 3 342.444 -0.937 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320477 379322818 /nfs/dbraw/zinc/32/28/18/379322818.db2.gz DNNNCRCVAQSUCA-CYBMUJFWSA-N 1 3 326.441 -0.399 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000627312169 379304029 /nfs/dbraw/zinc/30/40/29/379304029.db2.gz RFOHKULDTOLADA-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000627312111 379304770 /nfs/dbraw/zinc/30/47/70/379304770.db2.gz PQTSSGMEONMTCG-LSDHHAIUSA-N 1 3 342.484 -0.083 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCSC1 ZINC000621842901 379367631 /nfs/dbraw/zinc/36/76/31/379367631.db2.gz BALKNQBNOKPNHN-VBNZEHGJSA-N 1 3 340.493 -0.120 20 0 EBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000642640920 379537502 /nfs/dbraw/zinc/53/75/02/379537502.db2.gz LUBMHOXZIRVDCJ-HOCLYGCPSA-N 1 3 348.447 -0.143 20 0 EBADHO Nc1nc(N)nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000624092872 379508526 /nfs/dbraw/zinc/50/85/26/379508526.db2.gz FQKTULPIHUTFQY-ZDUSSCGKSA-N 1 3 329.408 -0.313 20 0 EBADHO Nc1nc(N)nc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000624092872 379508533 /nfs/dbraw/zinc/50/85/33/379508533.db2.gz FQKTULPIHUTFQY-ZDUSSCGKSA-N 1 3 329.408 -0.313 20 0 EBADHO Nc1nc(N)nc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000624092871 379508779 /nfs/dbraw/zinc/50/87/79/379508779.db2.gz FQKTULPIHUTFQY-CYBMUJFWSA-N 1 3 329.408 -0.313 20 0 EBADHO Nc1nc(N)nc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000624092871 379508786 /nfs/dbraw/zinc/50/87/86/379508786.db2.gz FQKTULPIHUTFQY-CYBMUJFWSA-N 1 3 329.408 -0.313 20 0 EBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)CN1CCN(C)CC1 ZINC000627398619 379583802 /nfs/dbraw/zinc/58/38/02/379583802.db2.gz QXKDDAGXJPKJGU-KFWWJZLASA-N 1 3 339.484 -0.757 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)C[NH2+]1 ZINC000627364301 379565295 /nfs/dbraw/zinc/56/52/95/379565295.db2.gz MBTWGLPDCVJIRU-HUUCEWRRSA-N 1 3 339.484 -0.613 20 0 EBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000627385544 379576870 /nfs/dbraw/zinc/57/68/70/379576870.db2.gz OCDGECJYQZFOPE-UONOGXRCSA-N 1 3 338.452 -0.386 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000627488537 379636643 /nfs/dbraw/zinc/63/66/43/379636643.db2.gz BJUZNHDPHOBWEA-CQSZACIVSA-N 1 3 326.441 -0.445 20 0 EBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000627461756 379610843 /nfs/dbraw/zinc/61/08/43/379610843.db2.gz YPNYGUSSGHNCTG-LSDHHAIUSA-N 1 3 339.484 -0.661 20 0 EBADHO CN1CCN(CCCS(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000631936635 379786019 /nfs/dbraw/zinc/78/60/19/379786019.db2.gz HALOWYVKAKTBLG-HNNXBMFYSA-N 1 3 332.514 -0.020 20 0 EBADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000637820981 379868699 /nfs/dbraw/zinc/86/86/99/379868699.db2.gz KOTAKUXMYKPNTN-CYBMUJFWSA-N 1 3 336.440 -0.628 20 0 EBADHO COC[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCCN1 ZINC000637820337 379866940 /nfs/dbraw/zinc/86/69/40/379866940.db2.gz WQZSLLBQJCPIRS-CZUORRHYSA-N 1 3 326.441 -0.541 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@@H]1N1CCN(C)CC1 ZINC000633102153 379938400 /nfs/dbraw/zinc/93/84/00/379938400.db2.gz RBAXBKGKIAGMSY-UGUYLWEFSA-N 1 3 349.479 -0.957 20 0 EBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000633139013 379947437 /nfs/dbraw/zinc/94/74/37/379947437.db2.gz GBAKPQAWEPHYSZ-RBSFLKMASA-N 1 3 337.468 -0.827 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000128587450 380001362 /nfs/dbraw/zinc/00/13/62/380001362.db2.gz ZFACNALUYCHHID-RDJZCZTQSA-N 1 3 343.516 -0.128 20 0 EBADHO C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CN1CCN(C)CC1 ZINC000128578121 380002060 /nfs/dbraw/zinc/00/20/60/380002060.db2.gz MBEMLNBGKMXUPB-GDBMZVCRSA-N 1 3 329.489 -0.518 20 0 EBADHO COCCN1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354706183 380086173 /nfs/dbraw/zinc/08/61/73/380086173.db2.gz HNONCJGTXGLHAC-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000545879424 380099384 /nfs/dbraw/zinc/09/93/84/380099384.db2.gz ICCBZMHZBWMREV-QZTJIDSGSA-N 1 3 333.432 -0.194 20 0 EBADHO CN1CC[C@@](O)(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000545879424 380099388 /nfs/dbraw/zinc/09/93/88/380099388.db2.gz ICCBZMHZBWMREV-QZTJIDSGSA-N 1 3 333.432 -0.194 20 0 EBADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000545884389 380099648 /nfs/dbraw/zinc/09/96/48/380099648.db2.gz MTYBEDQVUYZWCC-PBHICJAKSA-N 1 3 340.468 -0.147 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638091154 380117529 /nfs/dbraw/zinc/11/75/29/380117529.db2.gz QLSSNJKGEQMVRT-CALCHBBNSA-N 1 3 337.512 -0.091 20 0 EBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638091154 380117532 /nfs/dbraw/zinc/11/75/32/380117532.db2.gz QLSSNJKGEQMVRT-CALCHBBNSA-N 1 3 337.512 -0.091 20 0 EBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000638114304 380162269 /nfs/dbraw/zinc/16/22/69/380162269.db2.gz YMJSMFQLIQMFCW-YOEHRIQHSA-N 1 3 340.468 -0.188 20 0 EBADHO CN1CCN(C)[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638138828 380202857 /nfs/dbraw/zinc/20/28/57/380202857.db2.gz HHLRNWKNAFHUKM-DLBZAZTESA-N 1 3 333.480 -0.192 20 0 EBADHO CN1CCN(C)[C@@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638138828 380202859 /nfs/dbraw/zinc/20/28/59/380202859.db2.gz HHLRNWKNAFHUKM-DLBZAZTESA-N 1 3 333.480 -0.192 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000340211605 380260362 /nfs/dbraw/zinc/26/03/62/380260362.db2.gz ABASZMQQROLXRY-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO C[C@H](Cn1ccnc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551399998 380265181 /nfs/dbraw/zinc/26/51/81/380265181.db2.gz DQQQFQUJBPQJHP-CQSZACIVSA-N 1 3 338.456 -0.660 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)CCCO1 ZINC000360918639 380275163 /nfs/dbraw/zinc/27/51/63/380275163.db2.gz JZYCHACAAYTZDZ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)CCCO1 ZINC000360918639 380275168 /nfs/dbraw/zinc/27/51/68/380275168.db2.gz JZYCHACAAYTZDZ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943375 380444597 /nfs/dbraw/zinc/44/45/97/380444597.db2.gz YECLWYPMVISCGD-HZPDHXFCSA-N 1 3 326.485 -0.310 20 0 EBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000362943375 380444603 /nfs/dbraw/zinc/44/46/03/380444603.db2.gz YECLWYPMVISCGD-HZPDHXFCSA-N 1 3 326.485 -0.310 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249811 380412533 /nfs/dbraw/zinc/41/25/33/380412533.db2.gz JHIWIYWUSMRALB-CABCVRRESA-N 1 3 335.452 -0.186 20 0 EBADHO Cn1cc(S(=O)(=O)NCCN2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000567386925 380515273 /nfs/dbraw/zinc/51/52/73/380515273.db2.gz PTVDTWIEUQWKNW-BETUJISGSA-N 1 3 327.454 -0.370 20 0 EBADHO CC(CCN1CCN(C)C[C@H]1CO)CC[N@@H+]1CCN(C)C[C@H]1CO ZINC000639865919 380515813 /nfs/dbraw/zinc/51/58/13/380515813.db2.gz BDMIPVMVIXTBQC-ROUUACIJSA-N 1 3 342.528 -0.381 20 0 EBADHO CC(CCN1CCN(C)C[C@H]1CO)CC[N@H+]1CCN(C)C[C@H]1CO ZINC000639865919 380515817 /nfs/dbraw/zinc/51/58/17/380515817.db2.gz BDMIPVMVIXTBQC-ROUUACIJSA-N 1 3 342.528 -0.381 20 0 EBADHO CC(CCN1CCN(C)C[C@@H]1CO)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639865918 380515999 /nfs/dbraw/zinc/51/59/99/380515999.db2.gz BDMIPVMVIXTBQC-QZTJIDSGSA-N 1 3 342.528 -0.381 20 0 EBADHO CC(CCN1CCN(C)C[C@@H]1CO)CC[N@H+]1CCN(C)C[C@@H]1CO ZINC000639865918 380516007 /nfs/dbraw/zinc/51/60/07/380516007.db2.gz BDMIPVMVIXTBQC-QZTJIDSGSA-N 1 3 342.528 -0.381 20 0 EBADHO COCCN(C)CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363221365 380464596 /nfs/dbraw/zinc/46/45/96/380464596.db2.gz PXFMIDYUKLVWMW-MRXNPFEDSA-N 1 3 341.500 -0.014 20 0 EBADHO COCCN(C)CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363221365 380464600 /nfs/dbraw/zinc/46/46/00/380464600.db2.gz PXFMIDYUKLVWMW-MRXNPFEDSA-N 1 3 341.500 -0.014 20 0 EBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000566566405 380482274 /nfs/dbraw/zinc/48/22/74/380482274.db2.gz ICMVUSJFLGDWMQ-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340509933 380524263 /nfs/dbraw/zinc/52/42/63/380524263.db2.gz GKROZZYJQGDHHX-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340509933 380524271 /nfs/dbraw/zinc/52/42/71/380524271.db2.gz GKROZZYJQGDHHX-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000567681986 380536009 /nfs/dbraw/zinc/53/60/09/380536009.db2.gz CNKBSIPVIHLERX-HOTGVXAUSA-N 1 3 326.485 -0.026 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CN1CCN(C)CC1 ZINC000340793875 380632264 /nfs/dbraw/zinc/63/22/64/380632264.db2.gz JRZGUZKPXPQLOV-GJZGRUSLSA-N 1 3 341.500 -0.558 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287772 380594124 /nfs/dbraw/zinc/59/41/24/380594124.db2.gz JPWSRTGWJIYJFP-NUEKZKHPSA-N 1 3 343.431 -0.173 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000573268218 380667460 /nfs/dbraw/zinc/66/74/60/380667460.db2.gz SMACDWAVBXWMCF-ILXRZTDVSA-N 1 3 337.468 -0.082 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000573268218 380667465 /nfs/dbraw/zinc/66/74/65/380667465.db2.gz SMACDWAVBXWMCF-ILXRZTDVSA-N 1 3 337.468 -0.082 20 0 EBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000573793010 380687343 /nfs/dbraw/zinc/68/73/43/380687343.db2.gz FYPYENKDBLCENB-WMLDXEAASA-N 1 3 338.452 -0.623 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](CC3CC3)CC2)n1 ZINC000341572009 380710693 /nfs/dbraw/zinc/71/06/93/380710693.db2.gz JIZZHADRCYBMEA-UHFFFAOYSA-N 1 3 349.483 -0.352 20 0 EBADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021580 380654675 /nfs/dbraw/zinc/65/46/75/380654675.db2.gz DWPZPOPXWSFGLZ-CVSAEHQPSA-N 1 3 335.452 -0.043 20 0 EBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000574813126 380724174 /nfs/dbraw/zinc/72/41/74/380724174.db2.gz QSPKGJZIHXFYAZ-ZIAGYGMSSA-N 1 3 340.468 -0.010 20 0 EBADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)C[C@H](C)O1 ZINC000576823886 380787448 /nfs/dbraw/zinc/78/74/48/380787448.db2.gz WFPHWUFGIBDDCR-YVSFHVDLSA-N 1 3 329.485 -0.107 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CCOCC1 ZINC000577237681 380813916 /nfs/dbraw/zinc/81/39/16/380813916.db2.gz FDIYLJIDNPFEJG-UHFFFAOYSA-N 1 3 342.484 -0.129 20 0 EBADHO COCC(=O)N(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122217055 380820880 /nfs/dbraw/zinc/82/08/80/380820880.db2.gz JECLZTSJPPZKBF-UHFFFAOYSA-N 1 3 340.468 -0.234 20 0 EBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000578005255 380872047 /nfs/dbraw/zinc/87/20/47/380872047.db2.gz XEIIRLSKRIXFJI-CABCVRRESA-N 1 3 337.468 -0.826 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417432138 380887294 /nfs/dbraw/zinc/88/72/94/380887294.db2.gz SHHYYVKUYCWQPQ-KGLIPLIRSA-N 1 3 325.457 -0.020 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000578152027 380906952 /nfs/dbraw/zinc/90/69/52/380906952.db2.gz DYOLWMDLEKVCMY-CYBMUJFWSA-N 1 3 337.472 -0.496 20 0 EBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000578152027 380906959 /nfs/dbraw/zinc/90/69/59/380906959.db2.gz DYOLWMDLEKVCMY-CYBMUJFWSA-N 1 3 337.472 -0.496 20 0 EBADHO CS(=O)(=O)C1(C(=O)N2CC3CCC2(CN)CC3)CC[NH2+]CC1 ZINC000579488010 380995093 /nfs/dbraw/zinc/99/50/93/380995093.db2.gz XEJODZFSNICFLJ-UHFFFAOYSA-N 1 3 329.466 -0.117 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C2CC[NH+](C)CC2)cn1 ZINC000346361811 381064495 /nfs/dbraw/zinc/06/44/95/381064495.db2.gz CWXZVNGAIYKGGH-UHFFFAOYSA-N 1 3 336.440 -0.159 20 0 EBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000581311710 381067343 /nfs/dbraw/zinc/06/73/43/381067343.db2.gz XSGDLPIWYXUSRL-UFBFGSQYSA-N 1 3 325.438 -0.003 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581364126 381071119 /nfs/dbraw/zinc/07/11/19/381071119.db2.gz BGDWYLSBTNENSZ-HUUCEWRRSA-N 1 3 339.484 -0.994 20 0 EBADHO Cc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1-c1nc[nH]n1 ZINC000617504513 381037346 /nfs/dbraw/zinc/03/73/46/381037346.db2.gz ZEYPNXIKBFMADG-NSHDSACASA-N 1 3 349.443 -0.304 20 0 EBADHO Cc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1-c1nc[nH]n1 ZINC000617504513 381037351 /nfs/dbraw/zinc/03/73/51/381037351.db2.gz ZEYPNXIKBFMADG-NSHDSACASA-N 1 3 349.443 -0.304 20 0 EBADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418373223 381111400 /nfs/dbraw/zinc/11/14/00/381111400.db2.gz ZLBYLBPLBAHILM-KGLIPLIRSA-N 1 3 325.457 -0.210 20 0 EBADHO C[C@]12CN(CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000639944983 381153193 /nfs/dbraw/zinc/15/31/93/381153193.db2.gz HADMVJDCYJZLRY-HDICACEKSA-N 1 3 348.447 -0.286 20 0 EBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000583312344 381125819 /nfs/dbraw/zinc/12/58/19/381125819.db2.gz GQZKVAGMCQIZPS-KGLIPLIRSA-N 1 3 339.484 -0.676 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541257 381179759 /nfs/dbraw/zinc/17/97/59/381179759.db2.gz ANYDLDLOBUUUEO-BPLDGKMQSA-N 1 3 335.452 -0.043 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541257 381179767 /nfs/dbraw/zinc/17/97/67/381179767.db2.gz ANYDLDLOBUUUEO-BPLDGKMQSA-N 1 3 335.452 -0.043 20 0 EBADHO COC[C@@]1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCC[NH2+]1 ZINC000418633698 381252241 /nfs/dbraw/zinc/25/22/41/381252241.db2.gz IMZJRTNGBLFWJD-HOCLYGCPSA-N 1 3 328.457 -0.099 20 0 EBADHO Nc1nc(N)nc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000623940994 381230655 /nfs/dbraw/zinc/23/06/55/381230655.db2.gz ICWFWYZKPNTSGV-UHFFFAOYSA-N 1 3 329.408 -0.313 20 0 EBADHO CC(C)(CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N1CCCCC1 ZINC000418845081 381302846 /nfs/dbraw/zinc/30/28/46/381302846.db2.gz UTVKZTUCLFCFIC-CYBMUJFWSA-N 1 3 326.441 -0.447 20 0 EBADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CCCC1 ZINC000418811213 381281014 /nfs/dbraw/zinc/28/10/14/381281014.db2.gz VLVUSVSIIILTEI-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026302 381356037 /nfs/dbraw/zinc/35/60/37/381356037.db2.gz NJDUEPZBPICSSW-CABCVRRESA-N 1 3 339.484 -0.756 20 0 EBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419033171 381357752 /nfs/dbraw/zinc/35/77/52/381357752.db2.gz XZQLGNZNHHCHBY-LJISPDSOSA-N 1 3 340.468 -0.345 20 0 EBADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419028071 381358308 /nfs/dbraw/zinc/35/83/08/381358308.db2.gz PULNXKHSQZZYNB-XGUBFFRZSA-N 1 3 340.468 -0.426 20 0 EBADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419028071 381358309 /nfs/dbraw/zinc/35/83/09/381358309.db2.gz PULNXKHSQZZYNB-XGUBFFRZSA-N 1 3 340.468 -0.426 20 0 EBADHO [NH3+]CCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419169824 381390884 /nfs/dbraw/zinc/39/08/84/381390884.db2.gz VMTDCMLTOOSKLQ-INIZCTEOSA-N 1 3 348.447 -0.141 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145598 381397372 /nfs/dbraw/zinc/39/73/72/381397372.db2.gz GTCKAMRSOXVUEB-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CCOC2C[NH2+]C2)c1 ZINC000349008634 381428749 /nfs/dbraw/zinc/42/87/49/381428749.db2.gz WHTORGMEHFTLKY-UHFFFAOYSA-N 1 3 348.447 -0.027 20 0 EBADHO C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000419405091 381428892 /nfs/dbraw/zinc/42/88/92/381428892.db2.gz HEXQQAJVNDNNST-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000419405091 381428900 /nfs/dbraw/zinc/42/89/00/381428900.db2.gz HEXQQAJVNDNNST-HNNXBMFYSA-N 1 3 340.468 -0.138 20 0 EBADHO [NH3+]CCN(CCO)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419421147 381434134 /nfs/dbraw/zinc/43/41/34/381434134.db2.gz LHLKZUICJSXLKZ-UHFFFAOYSA-N 1 3 348.447 -0.669 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419456146 381441976 /nfs/dbraw/zinc/44/19/76/381441976.db2.gz YWFQSGSSZPMBFK-KBPBESRZSA-N 1 3 328.457 -0.343 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCSC1 ZINC000419575786 381457365 /nfs/dbraw/zinc/45/73/65/381457365.db2.gz BONJCUNIGFQKJV-WFASDCNBSA-N 1 3 328.482 -0.120 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000419575782 381457729 /nfs/dbraw/zinc/45/77/29/381457729.db2.gz BONJCUNIGFQKJV-IUODEOHRSA-N 1 3 328.482 -0.120 20 0 EBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419595370 381461034 /nfs/dbraw/zinc/46/10/34/381461034.db2.gz WIYMMNWSLFLOAT-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419592603 381461928 /nfs/dbraw/zinc/46/19/28/381461928.db2.gz SJUAYSQUDYRDDF-KFWWJZLASA-N 1 3 340.468 -0.058 20 0 EBADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000419657179 381465926 /nfs/dbraw/zinc/46/59/26/381465926.db2.gz JDNHYXBGQQYDLP-OAHLLOKOSA-N 1 3 348.447 -0.236 20 0 EBADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CNCCO1)C[NH+]1CCCC1 ZINC000419661290 381466471 /nfs/dbraw/zinc/46/64/71/381466471.db2.gz FGQQYEKUUDGXBS-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633698 381470260 /nfs/dbraw/zinc/47/02/60/381470260.db2.gz ZJDJIBQYUXOFAQ-SCRDCRAPSA-N 1 3 338.452 -0.018 20 0 EBADHO C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000419633698 381470266 /nfs/dbraw/zinc/47/02/66/381470266.db2.gz ZJDJIBQYUXOFAQ-SCRDCRAPSA-N 1 3 338.452 -0.018 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000419889841 381517028 /nfs/dbraw/zinc/51/70/28/381517028.db2.gz SFZOXNGRGQGIDY-HUUCEWRRSA-N 1 3 339.484 -0.756 20 0 EBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN[C@H](C)C2)CC1 ZINC000419813498 381496717 /nfs/dbraw/zinc/49/67/17/381496717.db2.gz HDHBSCRUHRCCII-LSDHHAIUSA-N 1 3 339.484 -0.804 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420076992 381537228 /nfs/dbraw/zinc/53/72/28/381537228.db2.gz MUPGQGIKPJBCDX-UHFFFAOYSA-N 1 3 335.408 -0.408 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420101268 381540613 /nfs/dbraw/zinc/54/06/13/381540613.db2.gz LWABMSAUMBLRSZ-UHFFFAOYSA-N 1 3 348.447 -0.057 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420150196 381548909 /nfs/dbraw/zinc/54/89/09/381548909.db2.gz WPWGCHMNNXAEBG-ILXRZTDVSA-N 1 3 340.468 -0.330 20 0 EBADHO CN1CCN(C(=O)CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000420315855 381578306 /nfs/dbraw/zinc/57/83/06/381578306.db2.gz SAUMDIFYBNUXDH-OAHLLOKOSA-N 1 3 339.484 -0.530 20 0 EBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2CCN(C)CC2)CC1 ZINC000608764824 381619097 /nfs/dbraw/zinc/61/90/97/381619097.db2.gz KYMMTEZRLVPIEK-MRXNPFEDSA-N 1 3 325.501 -0.376 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351520589 381634426 /nfs/dbraw/zinc/63/44/26/381634426.db2.gz HGJVQPSUBYZMTC-CQSZACIVSA-N 1 3 340.468 -0.140 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000572111617 381641008 /nfs/dbraw/zinc/64/10/08/381641008.db2.gz MPHCNUWVJMCSAG-LSDHHAIUSA-N 1 3 339.484 -0.994 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859029 381685493 /nfs/dbraw/zinc/68/54/93/381685493.db2.gz ZLDXEBPCWWNJSI-NEPJUHHUSA-N 1 3 334.424 -0.507 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000626851192 381902918 /nfs/dbraw/zinc/90/29/18/381902918.db2.gz MVNLPGBEEIYFOU-ZDUSSCGKSA-N 1 3 334.424 -0.216 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640334816 382087609 /nfs/dbraw/zinc/08/76/09/382087609.db2.gz SISRZEZPUREDEV-UHFFFAOYSA-N 1 3 340.428 -0.959 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cn1 ZINC000444269796 382145485 /nfs/dbraw/zinc/14/54/85/382145485.db2.gz NKBIDMFGZBNKPH-XJKSGUPXSA-N 1 3 334.424 -0.501 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCOCC1=O ZINC000344390067 285243631 /nfs/dbraw/zinc/24/36/31/285243631.db2.gz DJACNMHZSKCEFN-OAHLLOKOSA-N 1 3 340.468 -0.280 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCOCC1=O ZINC000344390067 285243632 /nfs/dbraw/zinc/24/36/32/285243632.db2.gz DJACNMHZSKCEFN-OAHLLOKOSA-N 1 3 340.468 -0.280 20 0 EBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000261718839 154197745 /nfs/dbraw/zinc/19/77/45/154197745.db2.gz QLIRUIXNBPRNGT-CYBMUJFWSA-N 1 3 329.404 -0.019 20 0 EBADHO [NH3+]CC1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC000262291856 154222836 /nfs/dbraw/zinc/22/28/36/154222836.db2.gz OSCDVGSXXXMEQX-UHFFFAOYSA-N 1 3 338.452 -0.492 20 0 EBADHO COc1cc(CN(CCO)CCO)cc(C[NH+](CCO)CCO)c1 ZINC000292558433 155034922 /nfs/dbraw/zinc/03/49/22/155034922.db2.gz HWAOMIWOPXFEHJ-UHFFFAOYSA-N 1 3 342.436 -0.732 20 0 EBADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000342698807 156053444 /nfs/dbraw/zinc/05/34/44/156053444.db2.gz HXYHMRHPGWBYJF-JSGCOSHPSA-N 1 3 336.440 -0.113 20 0 EBADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc21 ZINC000357901482 157185402 /nfs/dbraw/zinc/18/54/02/157185402.db2.gz DHRDBOFUBKRFLR-NEPJUHHUSA-N 1 3 334.376 -0.183 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000360274653 157370463 /nfs/dbraw/zinc/37/04/63/157370463.db2.gz ZERQOKLHLHEWSL-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000360274653 157370465 /nfs/dbraw/zinc/37/04/65/157370465.db2.gz ZERQOKLHLHEWSL-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO Cc1nnc(CN(C)CC(=O)N(CCN(C)C)CC[NH+](C)C)n1C ZINC000530658032 418964547 /nfs/dbraw/zinc/96/45/47/418964547.db2.gz MUSPWLOAWZSQEU-UHFFFAOYSA-N 1 3 339.488 -0.493 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650675914 419063529 /nfs/dbraw/zinc/06/35/29/419063529.db2.gz UKQHXUDRLGPGIS-UHFFFAOYSA-N 1 3 343.472 -0.630 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650675914 419063535 /nfs/dbraw/zinc/06/35/35/419063535.db2.gz UKQHXUDRLGPGIS-UHFFFAOYSA-N 1 3 343.472 -0.630 20 0 EBADHO CN(C)CCN1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000651048473 419174905 /nfs/dbraw/zinc/17/49/05/419174905.db2.gz JDAPLGQSUBJJFH-UHFFFAOYSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651221776 419181785 /nfs/dbraw/zinc/18/17/85/419181785.db2.gz BLNBSXIMOAIMFN-KGLIPLIRSA-N 1 3 346.497 -0.447 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651221776 419181786 /nfs/dbraw/zinc/18/17/86/419181786.db2.gz BLNBSXIMOAIMFN-KGLIPLIRSA-N 1 3 346.497 -0.447 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)C[C@H]1C[NH3+] ZINC000652667986 419247705 /nfs/dbraw/zinc/24/77/05/419247705.db2.gz JZCQEEFWMVGXNR-BFHYXJOUSA-N 1 3 328.457 -0.345 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652671853 419247734 /nfs/dbraw/zinc/24/77/34/419247734.db2.gz QLUGWRZQSWTEIA-REWJHTLYSA-N 1 3 326.441 -0.593 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1(C)C ZINC000652678634 419250480 /nfs/dbraw/zinc/25/04/80/419250480.db2.gz JXAWHXVGPIRKIM-UHFFFAOYSA-N 1 3 339.484 -0.626 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652682785 419251200 /nfs/dbraw/zinc/25/12/00/419251200.db2.gz UYNFYLZHAHGJLU-HUUCEWRRSA-N 1 3 340.468 -0.343 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000531357954 419229049 /nfs/dbraw/zinc/22/90/49/419229049.db2.gz WBVSQQJXCVZGPB-UHFFFAOYSA-N 1 3 326.441 -0.133 20 0 EBADHO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000652624591 419241963 /nfs/dbraw/zinc/24/19/63/419241963.db2.gz LACNBEGMTIOFNQ-CHWSQXEVSA-N 1 3 336.440 -0.174 20 0 EBADHO COCCN1CC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000645233288 419300590 /nfs/dbraw/zinc/30/05/90/419300590.db2.gz KWYPNQORCPCCCY-KGLIPLIRSA-N 1 3 341.456 -0.532 20 0 EBADHO CC(=O)N1CCN(CCNC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000647909102 419319778 /nfs/dbraw/zinc/31/97/78/419319778.db2.gz MFBDRXIOEGDTSP-UHFFFAOYSA-N 1 3 326.485 -0.025 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000652731695 419332505 /nfs/dbraw/zinc/33/25/05/419332505.db2.gz RINNOXYJYMSGBF-ZIAGYGMSSA-N 1 3 340.468 -0.249 20 0 EBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659711260 419773134 /nfs/dbraw/zinc/77/31/34/419773134.db2.gz YMXSOIHJNMQMBW-UONOGXRCSA-N 1 3 327.473 -0.900 20 0 EBADHO CC(C)NS(=O)(=O)NCCNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655759194 419810990 /nfs/dbraw/zinc/81/09/90/419810990.db2.gz KEFPNHVZRALFJC-AWEZNQCLSA-N 1 3 334.486 -0.338 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419921961 419819912 /nfs/dbraw/zinc/81/99/12/419819912.db2.gz YSEHKCZDIAKTCB-GJZGRUSLSA-N 1 3 340.468 -0.329 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419955250 419827770 /nfs/dbraw/zinc/82/77/70/419827770.db2.gz MWVNONORSUGDIQ-LBPRGKRZSA-N 1 3 335.408 -0.550 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420013020 419832473 /nfs/dbraw/zinc/83/24/73/419832473.db2.gz BMLOWXMPECIBMW-KGLIPLIRSA-N 1 3 328.457 -0.343 20 0 EBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420051064 419835659 /nfs/dbraw/zinc/83/56/59/419835659.db2.gz ZXCVDZSWKRULLB-HUUCEWRRSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCN1 ZINC000423127802 419921297 /nfs/dbraw/zinc/92/12/97/419921297.db2.gz KDANFYBTCNCYTM-AWEZNQCLSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCN1 ZINC000423127802 419921300 /nfs/dbraw/zinc/92/13/00/419921300.db2.gz KDANFYBTCNCYTM-AWEZNQCLSA-N 1 3 339.484 -0.709 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCN1 ZINC000423127802 419921307 /nfs/dbraw/zinc/92/13/07/419921307.db2.gz KDANFYBTCNCYTM-AWEZNQCLSA-N 1 3 339.484 -0.709 20 0 EBADHO CN(CCN)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423270251 419928144 /nfs/dbraw/zinc/92/81/44/419928144.db2.gz HYKYCQVMJNNNTA-AWEZNQCLSA-N 1 3 325.457 -0.968 20 0 EBADHO CN(CCN)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423270251 419928149 /nfs/dbraw/zinc/92/81/49/419928149.db2.gz HYKYCQVMJNNNTA-AWEZNQCLSA-N 1 3 325.457 -0.968 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)N1C ZINC000515402207 419983520 /nfs/dbraw/zinc/98/35/20/419983520.db2.gz JGBBUDHIOOMRHU-GASCZTMLSA-N 1 3 341.500 -0.511 20 0 EBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516492538 420513383 /nfs/dbraw/zinc/51/33/83/420513383.db2.gz MROWEUNYAWYLLY-LSDHHAIUSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000167212045 420527293 /nfs/dbraw/zinc/52/72/93/420527293.db2.gz GOZQPSJOROOHGE-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000516635737 420688152 /nfs/dbraw/zinc/68/81/52/420688152.db2.gz FXNUFYQIYXCSLU-UHFFFAOYSA-N 1 3 326.441 -0.576 20 0 EBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803700 420694978 /nfs/dbraw/zinc/69/49/78/420694978.db2.gz DJOBKTWGURYLEL-LYOVBCGYSA-N 1 3 349.439 -0.315 20 0 EBADHO O=C(NC[C@H]1COCCN1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000529337696 420763607 /nfs/dbraw/zinc/76/36/07/420763607.db2.gz IHZRYTAOSZKYKC-SLTAFYQDSA-N 1 3 325.457 -0.510 20 0 EBADHO O=C(NC[C@H]1COCCN1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000529337696 420763609 /nfs/dbraw/zinc/76/36/09/420763609.db2.gz IHZRYTAOSZKYKC-SLTAFYQDSA-N 1 3 325.457 -0.510 20 0 EBADHO CCN1CCN(CC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000521630898 420710924 /nfs/dbraw/zinc/71/09/24/420710924.db2.gz FCKMCGHBZUMIOQ-UHFFFAOYSA-N 1 3 337.512 -0.044 20 0 EBADHO CCN1CCN(CC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000521630898 420710926 /nfs/dbraw/zinc/71/09/26/420710926.db2.gz FCKMCGHBZUMIOQ-UHFFFAOYSA-N 1 3 337.512 -0.044 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCC(=O)N1CCNCC1 ZINC000521877105 420713212 /nfs/dbraw/zinc/71/32/12/420713212.db2.gz XZTZCJFNXJALMX-CQSZACIVSA-N 1 3 325.457 -0.872 20 0 EBADHO C[C@H]1COCCN1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524922655 420740227 /nfs/dbraw/zinc/74/02/27/420740227.db2.gz KHUYTAHDVIDSMI-HNNXBMFYSA-N 1 3 329.489 -0.158 20 0 EBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658440561 420824485 /nfs/dbraw/zinc/82/44/85/420824485.db2.gz FAWKCEPMDHMBNX-UHFFFAOYSA-N 1 3 331.420 -0.250 20 0 EBADHO CCN1CCN(CC(C)(C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000654412775 420826389 /nfs/dbraw/zinc/82/63/89/420826389.db2.gz MOTOBGOQMGVSOJ-INIZCTEOSA-N 1 3 337.512 -0.091 20 0 EBADHO CCN1CCN(CC(C)(C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000654412775 420826393 /nfs/dbraw/zinc/82/63/93/420826393.db2.gz MOTOBGOQMGVSOJ-INIZCTEOSA-N 1 3 337.512 -0.091 20 0 EBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656025306 420866940 /nfs/dbraw/zinc/86/69/40/420866940.db2.gz GQTWCVMXLJSUIE-RRFJBIMHSA-N 1 3 338.452 -0.386 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656325287 420888918 /nfs/dbraw/zinc/88/89/18/420888918.db2.gz NXCIQJIZOWQHBR-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658456451 420956533 /nfs/dbraw/zinc/95/65/33/420956533.db2.gz PAKWQMWNDFKTDF-AWEZNQCLSA-N 1 3 326.441 -0.936 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658456451 420956538 /nfs/dbraw/zinc/95/65/38/420956538.db2.gz PAKWQMWNDFKTDF-AWEZNQCLSA-N 1 3 326.441 -0.936 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000658537928 420960442 /nfs/dbraw/zinc/96/04/42/420960442.db2.gz YZRGHROIBRXSSX-HUUCEWRRSA-N 1 3 340.468 -0.567 20 0 EBADHO CCCN1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612004 421007840 /nfs/dbraw/zinc/00/78/40/421007840.db2.gz VJIITCFYMIETOJ-KGLIPLIRSA-N 1 3 325.457 -0.033 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000659690359 421014730 /nfs/dbraw/zinc/01/47/30/421014730.db2.gz RVPXVOBBRRSOHA-ZDUSSCGKSA-N 1 3 336.436 -0.033 20 0 EBADHO [NH3+]CCCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659709085 421018535 /nfs/dbraw/zinc/01/85/35/421018535.db2.gz DPXOUQBDPNWFDW-UHFFFAOYSA-N 1 3 333.436 -0.125 20 0 EBADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659715147 421019901 /nfs/dbraw/zinc/01/99/01/421019901.db2.gz OMUNEACZHNGNOL-HUUCEWRRSA-N 1 3 338.452 -0.386 20 0 EBADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659731084 421024658 /nfs/dbraw/zinc/02/46/58/421024658.db2.gz XXFPEEGYOIVJBR-INIZCTEOSA-N 1 3 345.447 -0.031 20 0 EBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659741209 421026030 /nfs/dbraw/zinc/02/60/30/421026030.db2.gz HXHSFZHUHPOFRN-SWKXRBFHSA-N 1 3 349.479 -0.907 20 0 EBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662990181 421121854 /nfs/dbraw/zinc/12/18/54/421121854.db2.gz PDKYDSJQOXXVJV-ZIAGYGMSSA-N 1 3 345.463 -0.774 20 0 EBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662990181 421121856 /nfs/dbraw/zinc/12/18/56/421121856.db2.gz PDKYDSJQOXXVJV-ZIAGYGMSSA-N 1 3 345.463 -0.774 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCNS(C)(=O)=O ZINC000663570619 421133538 /nfs/dbraw/zinc/13/35/38/421133538.db2.gz MHQXADVUDMXCRF-LBPRGKRZSA-N 1 3 337.490 -0.893 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCNS(C)(=O)=O ZINC000663570619 421133542 /nfs/dbraw/zinc/13/35/42/421133542.db2.gz MHQXADVUDMXCRF-LBPRGKRZSA-N 1 3 337.490 -0.893 20 0 EBADHO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663500228 421131465 /nfs/dbraw/zinc/13/14/65/421131465.db2.gz JBNQXFCOCBVRFB-UONOGXRCSA-N 1 3 325.457 -0.129 20 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ZINC000331320330 421191122 /nfs/dbraw/zinc/19/11/22/421191122.db2.gz LAAGXWYYJCYKLW-UHFFFAOYSA-N 1 3 336.440 -0.064 20 0 EBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000665253925 421197231 /nfs/dbraw/zinc/19/72/31/421197231.db2.gz COVGMOUSRLFSJM-OKILXGFUSA-N 1 3 327.473 -0.012 20 0 EBADHO Cc1cc(NC(=O)CC[NH2+]CCCN2CCC[C@H](C(N)=O)C2)no1 ZINC000573834288 421247095 /nfs/dbraw/zinc/24/70/95/421247095.db2.gz WPHVTUCHYICBGC-ZDUSSCGKSA-N 1 3 337.424 0.489 20 0 EBADHO Cc1cc(NC(=O)CCNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000573834288 421247101 /nfs/dbraw/zinc/24/71/01/421247101.db2.gz WPHVTUCHYICBGC-ZDUSSCGKSA-N 1 3 337.424 0.489 20 0 EBADHO Cc1cc(NC(=O)CCNCCC[N@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000573834288 421247105 /nfs/dbraw/zinc/24/71/05/421247105.db2.gz WPHVTUCHYICBGC-ZDUSSCGKSA-N 1 3 337.424 0.489 20 0 EBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423736750 265039981 /nfs/dbraw/zinc/03/99/81/265039981.db2.gz BXWLJQMTHMTYIL-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO O=C(CC[NH+]1CCC(n2ncc3c2CNC3)CC1)N1CCNCC1 ZINC000424302522 265056025 /nfs/dbraw/zinc/05/60/25/265056025.db2.gz ZTHXWCDQFNCBFJ-UHFFFAOYSA-N 1 3 332.452 -0.055 20 0 EBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424494671 265067988 /nfs/dbraw/zinc/06/79/88/265067988.db2.gz OBSFASDGVQKRON-SOUVJXGZSA-N 1 3 348.451 -0.774 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424535220 265073197 /nfs/dbraw/zinc/07/31/97/265073197.db2.gz ZXMRGIUAELXCJB-UONOGXRCSA-N 1 3 336.440 -0.869 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430963232 265158582 /nfs/dbraw/zinc/15/85/82/265158582.db2.gz SXMJWIXSPRHMPG-CHWSQXEVSA-N 1 3 348.451 -0.117 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C\C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738644 265212444 /nfs/dbraw/zinc/21/24/44/265212444.db2.gz OOCOXYONDDNGAZ-OEHAVNEVSA-N 1 3 332.448 -0.033 20 0 EBADHO O=C1C[C@]2(CCN(C/C=C\C[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738644 265212447 /nfs/dbraw/zinc/21/24/47/265212447.db2.gz OOCOXYONDDNGAZ-OEHAVNEVSA-N 1 3 332.448 -0.033 20 0 EBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CSCCN2)C1 ZINC000434867560 265216407 /nfs/dbraw/zinc/21/64/07/265216407.db2.gz FNLVTNJKUCVWLN-OLZOCXBDSA-N 1 3 328.482 -0.215 20 0 EBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CSCCN2)C1 ZINC000434867560 265216411 /nfs/dbraw/zinc/21/64/11/265216411.db2.gz FNLVTNJKUCVWLN-OLZOCXBDSA-N 1 3 328.482 -0.215 20 0 EBADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000428953051 272838328 /nfs/dbraw/zinc/83/83/28/272838328.db2.gz NPUGEQYOKFRHLZ-OAHLLOKOSA-N 1 3 339.484 -0.673 20 0 EBADHO CCN1CCN(CCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000428953047 272838345 /nfs/dbraw/zinc/83/83/45/272838345.db2.gz NPUGEQYOKFRHLZ-HNNXBMFYSA-N 1 3 339.484 -0.673 20 0 EBADHO NC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)Cc2ccccc2C1 ZINC000377130726 295234658 /nfs/dbraw/zinc/23/46/58/295234658.db2.gz YEADEZLHVZMUGZ-HNNXBMFYSA-N 1 3 330.432 -0.204 20 0 EBADHO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668329540 545660060 /nfs/dbraw/zinc/66/00/60/545660060.db2.gz ZSYXISHPECEVPI-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO CN1CCC(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000668362214 545661644 /nfs/dbraw/zinc/66/16/44/545661644.db2.gz SVTLAOZMFGFYHQ-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000671376474 545991177 /nfs/dbraw/zinc/99/11/77/545991177.db2.gz KSZRBKUGJMTYER-UHFFFAOYSA-N 1 3 328.457 -0.471 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000665764221 582554057 /nfs/dbraw/zinc/55/40/57/582554057.db2.gz YHPKSYLQRIMCPA-RYUDHWBXSA-N 1 3 337.490 -0.765 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000665764221 582554059 /nfs/dbraw/zinc/55/40/59/582554059.db2.gz YHPKSYLQRIMCPA-RYUDHWBXSA-N 1 3 337.490 -0.765 20 0 EBADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559628 582557990 /nfs/dbraw/zinc/55/79/90/582557990.db2.gz GKPHPOOSMFNIRJ-MHEUCROKSA-N 1 3 349.435 -0.200 20 0 EBADHO CCN(CCO)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766040 582587098 /nfs/dbraw/zinc/58/70/98/582587098.db2.gz JWUJJIPZOMNSJO-CQSZACIVSA-N 1 3 328.457 -0.242 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900481123 582770438 /nfs/dbraw/zinc/77/04/38/582770438.db2.gz NLLABEVVGXHQQC-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900481123 582770440 /nfs/dbraw/zinc/77/04/40/582770440.db2.gz NLLABEVVGXHQQC-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900646372 582776222 /nfs/dbraw/zinc/77/62/22/582776222.db2.gz ARFKCEXSIZZOCA-KRWDZBQOSA-N 1 3 326.485 -0.071 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900646372 582776225 /nfs/dbraw/zinc/77/62/25/582776225.db2.gz ARFKCEXSIZZOCA-KRWDZBQOSA-N 1 3 326.485 -0.071 20 0 EBADHO C[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000900693410 582779061 /nfs/dbraw/zinc/77/90/61/582779061.db2.gz RPWHABJRXOJIMQ-NVXWUHKLSA-N 1 3 326.485 -0.167 20 0 EBADHO C[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000900693410 582779063 /nfs/dbraw/zinc/77/90/63/582779063.db2.gz RPWHABJRXOJIMQ-NVXWUHKLSA-N 1 3 326.485 -0.167 20 0 EBADHO C[NH2+]CCN(C(=O)C(=O)N(C)CCCN1CCN(C)CC1)C(C)C ZINC000903811941 582821474 /nfs/dbraw/zinc/82/14/74/582821474.db2.gz LZYHWVHEPJEVTD-UHFFFAOYSA-N 1 3 341.500 -0.461 20 0 EBADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000838301526 583053763 /nfs/dbraw/zinc/05/37/63/583053763.db2.gz FCRAQDKWBBFHNP-OWCLPIDISA-N 1 3 340.468 -0.004 20 0 EBADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000838301526 583053765 /nfs/dbraw/zinc/05/37/65/583053765.db2.gz FCRAQDKWBBFHNP-OWCLPIDISA-N 1 3 340.468 -0.004 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000775036474 583394415 /nfs/dbraw/zinc/39/44/15/583394415.db2.gz UOEGSOUWQSEDQS-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804031475 583636026 /nfs/dbraw/zinc/63/60/26/583636026.db2.gz HBHNJFCTIRANQH-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804031475 583636028 /nfs/dbraw/zinc/63/60/28/583636028.db2.gz HBHNJFCTIRANQH-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000804051066 583636778 /nfs/dbraw/zinc/63/67/78/583636778.db2.gz NADDBJQCPDLUOR-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000804051066 583636781 /nfs/dbraw/zinc/63/67/81/583636781.db2.gz NADDBJQCPDLUOR-GJZGRUSLSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000804051070 583636856 /nfs/dbraw/zinc/63/68/56/583636856.db2.gz NADDBJQCPDLUOR-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000804051070 583636859 /nfs/dbraw/zinc/63/68/59/583636859.db2.gz NADDBJQCPDLUOR-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CCNS(=O)(=O)CCN[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817912324 583730818 /nfs/dbraw/zinc/73/08/18/583730818.db2.gz UJOVRNBHLAUENF-GFCCVEGCSA-N 1 3 335.470 -0.163 20 0 EBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842165563 584058808 /nfs/dbraw/zinc/05/88/08/584058808.db2.gz ZKDAXTTWUPGPCK-MCIONIFRSA-N 1 3 326.441 -0.401 20 0 EBADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@@H]1C[NH3+] ZINC000842165383 584059089 /nfs/dbraw/zinc/05/90/89/584059089.db2.gz VVJAYQZVQOZAFY-LXTVHRRPSA-N 1 3 338.452 -0.448 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190777 584060369 /nfs/dbraw/zinc/06/03/69/584060369.db2.gz IOAYJNYZSKWBNA-HOTGVXAUSA-N 1 3 340.493 -0.106 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000846319827 584124448 /nfs/dbraw/zinc/12/44/48/584124448.db2.gz JDTFUTBSNUXRTI-UHFFFAOYSA-N 1 3 348.451 -0.015 20 0 EBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccnn1C ZINC000867437813 584130257 /nfs/dbraw/zinc/13/02/57/584130257.db2.gz FEKJLTWBVADBPY-CYBMUJFWSA-N 1 3 338.456 -0.451 20 0 EBADHO CN1CCN(C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000849055208 584165462 /nfs/dbraw/zinc/16/54/62/584165462.db2.gz VTHDRIBLIRTILQ-UHFFFAOYSA-N 1 3 340.516 -0.151 20 0 EBADHO [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073800 584165685 /nfs/dbraw/zinc/16/56/85/584165685.db2.gz DXOZPZHDFNZGLL-GJZGRUSLSA-N 1 3 345.451 -0.014 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865312 584217963 /nfs/dbraw/zinc/21/79/63/584217963.db2.gz YWTKAWVPPFTRBR-DGCLKSJQSA-N 1 3 325.413 -0.851 20 0 EBADHO NC[C@@H]1CC(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874409 584218584 /nfs/dbraw/zinc/21/85/84/584218584.db2.gz OYFGNLMAIXNVFG-FRRDWIJNSA-N 1 3 337.424 -0.803 20 0 EBADHO C[C@H](O)c1cn(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1 ZINC000855345989 584257902 /nfs/dbraw/zinc/25/79/02/584257902.db2.gz LXMIGOHNIHBGQO-STQMWFEESA-N 1 3 326.445 -0.280 20 0 EBADHO C[C@H](O)c1cn(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1 ZINC000855345989 584257903 /nfs/dbraw/zinc/25/79/03/584257903.db2.gz LXMIGOHNIHBGQO-STQMWFEESA-N 1 3 326.445 -0.280 20 0 EBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000861779382 584338612 /nfs/dbraw/zinc/33/86/12/584338612.db2.gz UTXSCISQHISBMH-ZDUSSCGKSA-N 1 3 326.441 -0.447 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863761861 584377162 /nfs/dbraw/zinc/37/71/62/584377162.db2.gz RRNZIQKAZWOTJD-GFCCVEGCSA-N 1 3 335.408 -0.456 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000865177309 584393097 /nfs/dbraw/zinc/39/30/97/584393097.db2.gz DSIUPFNJYVGCOU-UONOGXRCSA-N 1 3 328.457 -0.249 20 0 EBADHO CN1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cn2)CC1 ZINC000868252371 584423604 /nfs/dbraw/zinc/42/36/04/584423604.db2.gz HHJGPFUVAGKNLZ-DOMZBBRYSA-N 1 3 346.435 -0.091 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cn1 ZINC000868288162 584424242 /nfs/dbraw/zinc/42/42/42/584424242.db2.gz ZCRXGVKBFBJCQL-UHFFFAOYSA-N 1 3 334.424 -0.135 20 0 EBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)n1 ZINC000868289601 584424334 /nfs/dbraw/zinc/42/43/34/584424334.db2.gz QKZLWLIIXLBUJR-UHFFFAOYSA-N 1 3 334.424 -0.135 20 0 EBADHO C[C@@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875285785 584495984 /nfs/dbraw/zinc/49/59/84/584495984.db2.gz VPPBWDQHFDSCPL-BFHYXJOUSA-N 1 3 348.513 -0.200 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875307629 584496659 /nfs/dbraw/zinc/49/66/59/584496659.db2.gz ABCPTMAOYKRPPW-KGLIPLIRSA-N 1 3 328.457 -0.149 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000875307629 584496662 /nfs/dbraw/zinc/49/66/62/584496662.db2.gz ABCPTMAOYKRPPW-KGLIPLIRSA-N 1 3 328.457 -0.149 20 0 EBADHO CC(C)(O)CN1CCC([NH2+]CCS(=O)(=O)N2CCOCC2)CC1 ZINC000877022301 584528428 /nfs/dbraw/zinc/52/84/28/584528428.db2.gz SWCIVJCGZDIBHZ-UHFFFAOYSA-N 1 3 349.497 -0.527 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1CC(C[N@@H+]1C[C@H](O)C[C@H]1CO)C1CCCC1 ZINC000878441259 584540807 /nfs/dbraw/zinc/54/08/07/584540807.db2.gz BSXBWLNFKIYMIT-WNRNVDISSA-N 1 3 342.480 -0.352 20 0 EBADHO OC[C@@H]1C[C@@H](O)CN1CC(C[N@H+]1C[C@H](O)C[C@H]1CO)C1CCCC1 ZINC000878441259 584540810 /nfs/dbraw/zinc/54/08/10/584540810.db2.gz BSXBWLNFKIYMIT-WNRNVDISSA-N 1 3 342.480 -0.352 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccncc1 ZINC000883639513 584604093 /nfs/dbraw/zinc/60/40/93/584604093.db2.gz RDCHBHSLGSRFFU-KFWWJZLASA-N 1 3 343.431 -0.204 20 0 EBADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000883651069 584604725 /nfs/dbraw/zinc/60/47/25/584604725.db2.gz HFBTZFDLFHZIKV-HNNXBMFYSA-N 1 3 340.468 -0.369 20 0 EBADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000883651069 584604727 /nfs/dbraw/zinc/60/47/27/584604727.db2.gz HFBTZFDLFHZIKV-HNNXBMFYSA-N 1 3 340.468 -0.369 20 0 EBADHO O=C(NCCCN1CC[NH2+]CC1)c1ccnc(N2CCNCC2)c1 ZINC000884005594 584610473 /nfs/dbraw/zinc/61/04/73/584610473.db2.gz NHIXFLBZJWYYPI-UHFFFAOYSA-N 1 3 332.452 -0.484 20 0 EBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)cn1 ZINC000884226116 584619145 /nfs/dbraw/zinc/61/91/45/584619145.db2.gz LDRJOJBDAUVXDT-ZDUSSCGKSA-N 1 3 336.440 -0.255 20 0 EBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000884507945 584625142 /nfs/dbraw/zinc/62/51/42/584625142.db2.gz QFTGOZULBKKSSW-QWHCGFSZSA-N 1 3 325.457 -0.923 20 0 EBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000884516668 584625373 /nfs/dbraw/zinc/62/53/73/584625373.db2.gz QNEVFXCDJREMGS-CQSZACIVSA-N 1 3 340.468 -0.010 20 0 EBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC000884560039 584627146 /nfs/dbraw/zinc/62/71/46/584627146.db2.gz LRQYFOWKQCYCJA-ZOMKSWQUSA-N 1 3 336.436 -0.966 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884637117 584630631 /nfs/dbraw/zinc/63/06/31/584630631.db2.gz BCFGZNJIYRESPM-XJKSGUPXSA-N 1 3 326.441 -0.861 20 0 EBADHO COCCN(C)CCCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884637595 584630661 /nfs/dbraw/zinc/63/06/61/584630661.db2.gz TZTRJPABCOJJLI-QDMKHBRRSA-N 1 3 340.468 -0.282 20 0 EBADHO C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])CN1CCN(C)CC1 ZINC000884669802 584632616 /nfs/dbraw/zinc/63/26/16/584632616.db2.gz HGESKOFTAXMCQR-CYBMUJFWSA-N 1 3 327.473 -0.770 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974001 584641754 /nfs/dbraw/zinc/64/17/54/584641754.db2.gz KLBLWWSTZUBKCT-AWEZNQCLSA-N 1 3 342.484 -0.083 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000887091876 584676281 /nfs/dbraw/zinc/67/62/81/584676281.db2.gz ZLORDGRFSOGXJO-ZFWWWQNUSA-N 1 3 347.419 -0.695 20 0 EBADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000887088203 584676421 /nfs/dbraw/zinc/67/64/21/584676421.db2.gz YAQFFZHGDDPTGJ-CQSZACIVSA-N 1 3 326.441 -0.759 20 0 EBADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000887088203 584676423 /nfs/dbraw/zinc/67/64/23/584676423.db2.gz YAQFFZHGDDPTGJ-CQSZACIVSA-N 1 3 326.441 -0.759 20 0 EBADHO O=C(CNC[C@H]1CCCO1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106839 649986259 /nfs/dbraw/zinc/98/62/59/649986259.db2.gz VITLOQFUNCGQGM-NEPJUHHUSA-N 1 3 338.374 -0.293 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](O)(CO)C1 ZINC000665763907 650032874 /nfs/dbraw/zinc/03/28/74/650032874.db2.gz OLWMZTDPHYVOAK-GOEBONIOSA-N 1 3 330.473 -0.213 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](O)(CO)C1 ZINC000665763907 650032877 /nfs/dbraw/zinc/03/28/77/650032877.db2.gz OLWMZTDPHYVOAK-GOEBONIOSA-N 1 3 330.473 -0.213 20 0 EBADHO O[C@H](CN[C@@H]1CCCN(CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000905446313 650063460 /nfs/dbraw/zinc/06/34/60/650063460.db2.gz GETAOBHPYVUUQT-QZTJIDSGSA-N 1 3 340.512 -0.171 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186548 650097720 /nfs/dbraw/zinc/09/77/20/650097720.db2.gz WXMJLSJVEIQPEM-JKIFEVAISA-N 1 3 338.452 -0.747 20 0 EBADHO CN1CC[C@H](N2CCC(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)C1=O ZINC000908186548 650097723 /nfs/dbraw/zinc/09/77/23/650097723.db2.gz WXMJLSJVEIQPEM-JKIFEVAISA-N 1 3 338.452 -0.747 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910618001 650116557 /nfs/dbraw/zinc/11/65/57/650116557.db2.gz HXULPXRNDKKVEM-WMLDXEAASA-N 1 3 340.468 -0.567 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910618001 650116558 /nfs/dbraw/zinc/11/65/58/650116558.db2.gz HXULPXRNDKKVEM-WMLDXEAASA-N 1 3 340.468 -0.567 20 0 EBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911146214 650153860 /nfs/dbraw/zinc/15/38/60/650153860.db2.gz JUGQKGKACNNMLH-GMNPVEAJSA-N 1 3 348.369 -0.067 20 0 EBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149588 650154659 /nfs/dbraw/zinc/15/46/59/650154659.db2.gz YAWHPWMEPZXEBU-XGUBFFRZSA-N 1 3 336.436 -0.966 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911176933 650157305 /nfs/dbraw/zinc/15/73/05/650157305.db2.gz QMVOKEYCCNFGKR-UONOGXRCSA-N 1 3 328.457 -0.486 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911176004 650157356 /nfs/dbraw/zinc/15/73/56/650157356.db2.gz KNAKBOYQBZQFHS-QGZVFWFLSA-N 1 3 340.468 -0.185 20 0 EBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911208139 650159663 /nfs/dbraw/zinc/15/96/63/650159663.db2.gz JWUJMVPNQYDZOK-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO CN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1(C[NH3+])CCOCC1 ZINC000911222320 650160590 /nfs/dbraw/zinc/16/05/90/650160590.db2.gz CTXQQRDUMSGMRF-AWEZNQCLSA-N 1 3 338.452 -0.447 20 0 EBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccnc1 ZINC000911312152 650169990 /nfs/dbraw/zinc/16/99/90/650169990.db2.gz VQSCOBIYYBTPKB-CABCVRRESA-N 1 3 349.435 -0.705 20 0 EBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414816 650180904 /nfs/dbraw/zinc/18/09/04/650180904.db2.gz QNMRYSBYTPIHBV-OAHLLOKOSA-N 1 3 339.484 -0.533 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CCO1 ZINC000911532228 650190780 /nfs/dbraw/zinc/19/07/80/650190780.db2.gz KRWJBTWRFWMUPI-QWHCGFSZSA-N 1 3 326.441 -0.591 20 0 EBADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000923526671 650342852 /nfs/dbraw/zinc/34/28/52/650342852.db2.gz RMVLTSQDBQJXLV-IKGGRYGDSA-N 1 3 347.459 -0.120 20 0 EBADHO Cn1ccnc1CN([C@H]1CC12CC[NH2+]CC2)S(=O)(=O)C1CNC1 ZINC000923660207 650351306 /nfs/dbraw/zinc/35/13/06/650351306.db2.gz VKZBRGIDQFRXME-ZDUSSCGKSA-N 1 3 339.465 -0.334 20 0 EBADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925449224 650379511 /nfs/dbraw/zinc/37/95/11/650379511.db2.gz LLZKNQPEDLCJLF-INYHJIAOSA-N 1 3 336.480 -0.151 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926294174 650385260 /nfs/dbraw/zinc/38/52/60/650385260.db2.gz CAEOCWGXYNNKOQ-CYBMUJFWSA-N 1 3 326.441 -0.637 20 0 EBADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954354018 719689281 /nfs/dbraw/zinc/68/92/81/719689281.db2.gz BQJJLLGBYOHMCF-HNNXBMFYSA-N 1 3 331.420 -0.037 20 0 EBADHO O=C(NC[C@@H]1CN(CCn2cncn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214908 722328643 /nfs/dbraw/zinc/32/86/43/722328643.db2.gz OJMKLAMVNZHZIZ-HUUCEWRRSA-N 1 3 348.451 -0.685 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958282820 722336924 /nfs/dbraw/zinc/33/69/24/722336924.db2.gz AJTSHCPYFCEKMN-DOTOQJQBSA-N 1 3 335.448 -0.195 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958282823 722337088 /nfs/dbraw/zinc/33/70/88/722337088.db2.gz AJTSHCPYFCEKMN-WBVHZDCISA-N 1 3 335.448 -0.195 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCn3cccn3)C[C@@H]2O)CC1 ZINC000958375439 722354286 /nfs/dbraw/zinc/35/42/86/722354286.db2.gz UEXRQIOQMJJZFL-HOTGVXAUSA-N 1 3 335.452 -0.366 20 0 EBADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958895559 722643554 /nfs/dbraw/zinc/64/35/54/722643554.db2.gz HPSUXGUMCGGMID-SNPRPXQTSA-N 1 3 349.435 -0.676 20 0 EBADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958895559 722643555 /nfs/dbraw/zinc/64/35/55/722643555.db2.gz HPSUXGUMCGGMID-SNPRPXQTSA-N 1 3 349.435 -0.676 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)N(C)C ZINC001019033470 728777397 /nfs/dbraw/zinc/77/73/97/728777397.db2.gz PILBDGXWYRHLMY-SOUVJXGZSA-N 1 3 340.468 -0.236 20 0 EBADHO CC(C)(C(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001019231287 728831799 /nfs/dbraw/zinc/83/17/99/728831799.db2.gz WFRLDZJTPKWBFN-QWHCGFSZSA-N 1 3 336.436 -0.144 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001019438966 728883921 /nfs/dbraw/zinc/88/39/21/728883921.db2.gz XPQAXCUVMCCWBI-NEPJUHHUSA-N 1 3 326.422 -0.423 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)cn1 ZINC000970230974 725265410 /nfs/dbraw/zinc/26/54/10/725265410.db2.gz HUMBEKDFMBOPMO-CABCVRRESA-N 1 3 348.451 -0.473 20 0 EBADHO Cc1nc(CN[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000970356089 725282530 /nfs/dbraw/zinc/28/25/30/725282530.db2.gz UFULQQPZZDGPOF-CYBMUJFWSA-N 1 3 336.440 -0.086 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC000970713067 725319889 /nfs/dbraw/zinc/31/98/89/725319889.db2.gz WJXIIMOHLURWQQ-ZIAGYGMSSA-N 1 3 344.481 -0.836 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCN3CCCS3(=O)=O)C2)C1 ZINC000970713067 725319890 /nfs/dbraw/zinc/31/98/90/725319890.db2.gz WJXIIMOHLURWQQ-ZIAGYGMSSA-N 1 3 344.481 -0.836 20 0 EBADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC000970791890 725328810 /nfs/dbraw/zinc/32/88/10/725328810.db2.gz BJWULDJDQJYVHK-KGLIPLIRSA-N 1 3 336.436 -0.142 20 0 EBADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001051651369 735292449 /nfs/dbraw/zinc/29/24/49/735292449.db2.gz KWSFOCXGOTVSDO-KGLIPLIRSA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)C1 ZINC000972336781 725500872 /nfs/dbraw/zinc/50/08/72/725500872.db2.gz ZTSKYRFOPOGDIZ-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)C1 ZINC000972336781 725500876 /nfs/dbraw/zinc/50/08/76/725500876.db2.gz ZTSKYRFOPOGDIZ-LSDHHAIUSA-N 1 3 337.468 -0.114 20 0 EBADHO O=C(N1CCO[C@@H](CN[C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697304 735332369 /nfs/dbraw/zinc/33/23/69/735332369.db2.gz BBKXXSQIPKGKOK-KBPBESRZSA-N 1 3 336.436 -0.680 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976542854 726341620 /nfs/dbraw/zinc/34/16/20/726341620.db2.gz XWFYSTQKMRATNX-NMNMXBMNSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000976542854 726341621 /nfs/dbraw/zinc/34/16/21/726341621.db2.gz XWFYSTQKMRATNX-NMNMXBMNSA-N 1 3 334.464 -0.005 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]32)CC[N@@H+]1C ZINC000976595941 726357800 /nfs/dbraw/zinc/35/78/00/726357800.db2.gz ODGILEGOMMLSBG-ODICJLLRSA-N 1 3 334.464 -0.006 20 0 EBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]32)CC[N@H+]1C ZINC000976595941 726357802 /nfs/dbraw/zinc/35/78/02/726357802.db2.gz ODGILEGOMMLSBG-ODICJLLRSA-N 1 3 334.464 -0.006 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996998555 726434409 /nfs/dbraw/zinc/43/44/09/726434409.db2.gz KPBPDGGCQONTBG-JSGCOSHPSA-N 1 3 336.436 -0.144 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000997043566 726435603 /nfs/dbraw/zinc/43/56/03/726435603.db2.gz ZNDARAJAJJCALR-LBPRGKRZSA-N 1 3 340.449 -0.033 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000998114435 726476374 /nfs/dbraw/zinc/47/63/74/726476374.db2.gz HJKKCFPSXQNFBN-CYBMUJFWSA-N 1 3 333.392 -0.414 20 0 EBADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000999471363 726520398 /nfs/dbraw/zinc/52/03/98/726520398.db2.gz CPMGPRGOLHKOBZ-UHFFFAOYSA-N 1 3 333.392 -0.320 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000192723 726558164 /nfs/dbraw/zinc/55/81/64/726558164.db2.gz NAWJGWSSMJCKDH-HUUCEWRRSA-N 1 3 337.468 -0.066 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)cn1 ZINC001000429364 726566829 /nfs/dbraw/zinc/56/68/29/726566829.db2.gz CEQXQJYQUZMNKL-GJZGRUSLSA-N 1 3 348.451 -0.473 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC001009084589 726855359 /nfs/dbraw/zinc/85/53/59/726855359.db2.gz PWPCZTZHEWDTKC-YHUYYLMFSA-N 1 3 334.464 -0.146 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC001009084589 726855361 /nfs/dbraw/zinc/85/53/61/726855361.db2.gz PWPCZTZHEWDTKC-YHUYYLMFSA-N 1 3 334.464 -0.146 20 0 EBADHO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020406046 729160192 /nfs/dbraw/zinc/16/01/92/729160192.db2.gz JGVYSWKBHWBMGT-PWCZCJRZSA-N 1 3 346.435 -0.585 20 0 EBADHO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020407070 729160672 /nfs/dbraw/zinc/16/06/72/729160672.db2.gz NAAXFKPESRSPQC-VXSWHIBVSA-N 1 3 346.435 -0.622 20 0 EBADHO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1=O ZINC001022455176 729495619 /nfs/dbraw/zinc/49/56/19/729495619.db2.gz JWDXNMGKUCEBCH-YJGOIOHGSA-N 1 3 348.447 -0.683 20 0 EBADHO O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452617 729495638 /nfs/dbraw/zinc/49/56/38/729495638.db2.gz OZQRNBJXCHWRGH-UKEFIBGASA-N 1 3 348.447 -0.635 20 0 EBADHO CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001023550833 729721600 /nfs/dbraw/zinc/72/16/00/729721600.db2.gz NTDMSAXQRFBHTQ-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001023550833 729721601 /nfs/dbraw/zinc/72/16/01/729721601.db2.gz NTDMSAXQRFBHTQ-CABCVRRESA-N 1 3 340.468 -0.330 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC001025787211 730088295 /nfs/dbraw/zinc/08/82/95/730088295.db2.gz ADHGTRCFPYBBGN-ZHMBSYLPSA-N 1 3 346.431 -0.820 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798631 730090587 /nfs/dbraw/zinc/09/05/87/730090587.db2.gz BDOBHNVGYNJLFP-LJIZCISZSA-N 1 3 346.435 -0.812 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798631 730090589 /nfs/dbraw/zinc/09/05/89/730090589.db2.gz BDOBHNVGYNJLFP-LJIZCISZSA-N 1 3 346.435 -0.812 20 0 EBADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001025973939 730114049 /nfs/dbraw/zinc/11/40/49/730114049.db2.gz TUEWJSYMANNRCG-QMIVOQANSA-N 1 3 338.452 -0.724 20 0 EBADHO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001025973939 730114050 /nfs/dbraw/zinc/11/40/50/730114050.db2.gz TUEWJSYMANNRCG-QMIVOQANSA-N 1 3 338.452 -0.724 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001026043414 730117528 /nfs/dbraw/zinc/11/75/28/730117528.db2.gz RRTOERUUWWSRRF-IMSKVBIZSA-N 1 3 347.463 -0.225 20 0 EBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001026043414 730117530 /nfs/dbraw/zinc/11/75/30/730117530.db2.gz RRTOERUUWWSRRF-IMSKVBIZSA-N 1 3 347.463 -0.225 20 0 EBADHO O=C(NCC1CN(C[C@H](O)Cn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031672533 730749069 /nfs/dbraw/zinc/74/90/69/730749069.db2.gz JKZXSYYIQLEDMQ-DLBZAZTESA-N 1 3 347.463 -0.366 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001034567735 731143244 /nfs/dbraw/zinc/14/32/44/731143244.db2.gz SBPWXINUCFCBGX-TZMCWYRMSA-N 1 3 347.419 -0.024 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)n1 ZINC001034940559 731165511 /nfs/dbraw/zinc/16/55/11/731165511.db2.gz VVPRDAGVVTWMLL-KGLIPLIRSA-N 1 3 348.451 -0.473 20 0 EBADHO CN(C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001040116822 731606792 /nfs/dbraw/zinc/60/67/92/731606792.db2.gz DPWMIGFGGADATN-RDJZCZTQSA-N 1 3 340.468 -0.642 20 0 EBADHO C[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040214336 731648324 /nfs/dbraw/zinc/64/83/24/731648324.db2.gz LFFGJBPVRQXGEX-KRWDZBQOSA-N 1 3 349.435 -0.626 20 0 EBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040449120 731738514 /nfs/dbraw/zinc/73/85/14/731738514.db2.gz FESAWOHPPSILNA-KRWDZBQOSA-N 1 3 342.484 -0.250 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829643 732234911 /nfs/dbraw/zinc/23/49/11/732234911.db2.gz ABDOIRYQIHAVMY-QAPCUYQASA-N 1 3 349.479 -0.112 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(CCN4CCNC4=O)C3)C2)C1 ZINC001041829643 732234912 /nfs/dbraw/zinc/23/49/12/732234912.db2.gz ABDOIRYQIHAVMY-QAPCUYQASA-N 1 3 349.479 -0.112 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115323 732764678 /nfs/dbraw/zinc/76/46/78/732764678.db2.gz GYOVEKKAZCAVIY-KBPBESRZSA-N 1 3 338.452 -0.888 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043115323 732764681 /nfs/dbraw/zinc/76/46/81/732764681.db2.gz GYOVEKKAZCAVIY-KBPBESRZSA-N 1 3 338.452 -0.888 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061605814 738646171 /nfs/dbraw/zinc/64/61/71/738646171.db2.gz ZQHQRGYJCKEZHL-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001061605814 738646174 /nfs/dbraw/zinc/64/61/74/738646174.db2.gz ZQHQRGYJCKEZHL-GJZGRUSLSA-N 1 3 340.468 -0.377 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043265487 732849309 /nfs/dbraw/zinc/84/93/09/732849309.db2.gz AWXJTASDRHYKDD-ZIAGYGMSSA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043265487 732849311 /nfs/dbraw/zinc/84/93/11/732849311.db2.gz AWXJTASDRHYKDD-ZIAGYGMSSA-N 1 3 340.468 -0.644 20 0 EBADHO CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001043461107 732952161 /nfs/dbraw/zinc/95/21/61/732952161.db2.gz BSLQLNADPBGXRF-OAHLLOKOSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461650 732952894 /nfs/dbraw/zinc/95/28/94/732952894.db2.gz FFXMAQZUIIGFER-OAHLLOKOSA-N 1 3 340.468 -0.644 20 0 EBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1)N(C)C ZINC001043463192 732955323 /nfs/dbraw/zinc/95/53/23/732955323.db2.gz LTWZKNPEPYDFLD-ZIAGYGMSSA-N 1 3 340.468 -0.644 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043469525 732959484 /nfs/dbraw/zinc/95/94/84/732959484.db2.gz PLOLODNMCCOASO-KGLIPLIRSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043469525 732959486 /nfs/dbraw/zinc/95/94/86/732959486.db2.gz PLOLODNMCCOASO-KGLIPLIRSA-N 1 3 340.468 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061651654 738673062 /nfs/dbraw/zinc/67/30/62/738673062.db2.gz UHXVKXQEQFTGTJ-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720440 733759619 /nfs/dbraw/zinc/75/96/19/733759619.db2.gz RDZBKCUPSSCHMC-CQSZACIVSA-N 1 3 340.468 -0.500 20 0 EBADHO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001045720698 733759914 /nfs/dbraw/zinc/75/99/14/733759914.db2.gz WAFDBFCWXKDSLD-UHFFFAOYSA-N 1 3 340.468 -0.498 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001046531225 733955920 /nfs/dbraw/zinc/95/59/20/733955920.db2.gz KWTPIKPUDLWVAA-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001046531225 733955924 /nfs/dbraw/zinc/95/59/24/733955924.db2.gz KWTPIKPUDLWVAA-AWEZNQCLSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C[C@H](O)Cn2cccn2)C1 ZINC001046777109 734025227 /nfs/dbraw/zinc/02/52/27/734025227.db2.gz RDJKYLZGHCSBKC-DOTOQJQBSA-N 1 3 347.463 -0.080 20 0 EBADHO C[C@H]1CCN(CC(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862658 738791319 /nfs/dbraw/zinc/79/13/19/738791319.db2.gz WMQQTAHMCBFXIV-LSDHHAIUSA-N 1 3 340.468 -0.377 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)CCC1 ZINC001048860522 734542627 /nfs/dbraw/zinc/54/26/27/734542627.db2.gz YDDJQGQXYFRQSZ-HZSPNIEDSA-N 1 3 348.447 -0.334 20 0 EBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)CCC1 ZINC001048860522 734542628 /nfs/dbraw/zinc/54/26/28/734542628.db2.gz YDDJQGQXYFRQSZ-HZSPNIEDSA-N 1 3 348.447 -0.334 20 0 EBADHO CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048880793 734555667 /nfs/dbraw/zinc/55/56/67/734555667.db2.gz PZJZZYHLUUUNFI-KKUMJFAQSA-N 1 3 340.468 -0.690 20 0 EBADHO CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048880793 734555668 /nfs/dbraw/zinc/55/56/68/734555668.db2.gz PZJZZYHLUUUNFI-KKUMJFAQSA-N 1 3 340.468 -0.690 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001049348878 734712919 /nfs/dbraw/zinc/71/29/19/734712919.db2.gz CUGRVVLQIADBKV-GJZGRUSLSA-N 1 3 342.484 -0.300 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435634 734729345 /nfs/dbraw/zinc/72/93/45/734729345.db2.gz PUKNMBPVDDCYPP-KBPBESRZSA-N 1 3 328.457 -0.690 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]3CN(CCO)C[C@H]32)cn1 ZINC001050161516 734857076 /nfs/dbraw/zinc/85/70/76/734857076.db2.gz ANTSTEWKZKJUHS-GOEBONIOSA-N 1 3 335.452 -0.027 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050234500 734876462 /nfs/dbraw/zinc/87/64/62/734876462.db2.gz HGUGZBMPXJCAPR-ZIAGYGMSSA-N 1 3 336.436 -0.284 20 0 EBADHO C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001056105361 736643263 /nfs/dbraw/zinc/64/32/63/736643263.db2.gz MBCBRMHXSSZRLM-MRXNPFEDSA-N 1 3 337.424 -0.626 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001057658870 737395772 /nfs/dbraw/zinc/39/57/72/737395772.db2.gz GEYSVUZOLGTQRE-UHFFFAOYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C)N(C)C ZINC001057876393 737495772 /nfs/dbraw/zinc/49/57/72/737495772.db2.gz IODPAHAIDGONEW-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058848294 738030485 /nfs/dbraw/zinc/03/04/85/738030485.db2.gz CPDZQCAKHLINEL-CABCVRRESA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001058848294 738030487 /nfs/dbraw/zinc/03/04/87/738030487.db2.gz CPDZQCAKHLINEL-CABCVRRESA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058848297 738030560 /nfs/dbraw/zinc/03/05/60/738030560.db2.gz CPDZQCAKHLINEL-HUUCEWRRSA-N 1 3 342.484 -0.537 20 0 EBADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001058848297 738030562 /nfs/dbraw/zinc/03/05/62/738030562.db2.gz CPDZQCAKHLINEL-HUUCEWRRSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058849456 738032545 /nfs/dbraw/zinc/03/25/45/738032545.db2.gz UUVSUTJAHBGVLJ-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001058849456 738032549 /nfs/dbraw/zinc/03/25/49/738032549.db2.gz UUVSUTJAHBGVLJ-GJZGRUSLSA-N 1 3 342.484 -0.537 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001065169706 739574655 /nfs/dbraw/zinc/57/46/55/739574655.db2.gz PZGPNORAXLLXOH-KBPBESRZSA-N 1 3 349.435 -0.444 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065169706 739574657 /nfs/dbraw/zinc/57/46/57/739574657.db2.gz PZGPNORAXLLXOH-KBPBESRZSA-N 1 3 349.435 -0.444 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065574706 739771142 /nfs/dbraw/zinc/77/11/42/739771142.db2.gz MBVZUOGKYGMXET-AWEZNQCLSA-N 1 3 328.457 -0.378 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065622979 739810728 /nfs/dbraw/zinc/81/07/28/739810728.db2.gz YHWGLXPMIOJXSU-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001068469427 740336708 /nfs/dbraw/zinc/33/67/08/740336708.db2.gz DPRIGSYUKWVAMP-UHFFFAOYSA-N 1 3 335.408 -0.656 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001070503914 740851082 /nfs/dbraw/zinc/85/10/82/740851082.db2.gz SATNBWSFXAHXOU-IMJJTQAJSA-N 1 3 337.468 -0.117 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072286549 741359939 /nfs/dbraw/zinc/35/99/39/741359939.db2.gz LQNHZZOCNVSSIX-CABCVRRESA-N 1 3 342.484 -0.132 20 0 EBADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001073700646 741713820 /nfs/dbraw/zinc/71/38/20/741713820.db2.gz SNQNGVVSRIEJDU-GYMHETDLSA-N 1 3 339.436 -0.951 20 0 EBADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001073700646 741713822 /nfs/dbraw/zinc/71/38/22/741713822.db2.gz SNQNGVVSRIEJDU-GYMHETDLSA-N 1 3 339.436 -0.951 20 0 EBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074562818 741999187 /nfs/dbraw/zinc/99/91/87/741999187.db2.gz KGADWWOCYFEJEK-SOUVJXGZSA-N 1 3 338.452 -0.482 20 0 EBADHO CCCN(C)CC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074656683 742049615 /nfs/dbraw/zinc/04/96/15/742049615.db2.gz VXIZOSDLYOIZMF-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687728 742066473 /nfs/dbraw/zinc/06/64/73/742066473.db2.gz BWRBMZXQIJVUSJ-UBHSHLNASA-N 1 3 336.436 -0.145 20 0 EBADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918359 742135612 /nfs/dbraw/zinc/13/56/12/742135612.db2.gz INECKQOXKKXPTD-SCRDCRAPSA-N 1 3 340.449 -0.034 20 0 EBADHO C[C@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001075003347 742156711 /nfs/dbraw/zinc/15/67/11/742156711.db2.gz WRQAHUYMXQPZRF-OBJOEFQTSA-N 1 3 326.441 -0.450 20 0 EBADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001078412365 743637351 /nfs/dbraw/zinc/63/73/51/743637351.db2.gz YRSYVWYEPTUYCP-LSDHHAIUSA-N 1 3 338.452 -0.434 20 0 EBADHO O=C(N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001078499454 743680921 /nfs/dbraw/zinc/68/09/21/743680921.db2.gz YZWUMMJXLGHZJZ-KBPBESRZSA-N 1 3 336.436 -0.822 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980391966 805879761 /nfs/dbraw/zinc/87/97/61/805879761.db2.gz UKQPVDVUVHQRAG-CHWSQXEVSA-N 1 3 337.424 -0.977 20 0 EBADHO CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980391966 805879769 /nfs/dbraw/zinc/87/97/69/805879769.db2.gz UKQPVDVUVHQRAG-CHWSQXEVSA-N 1 3 337.424 -0.977 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000979087474 805129064 /nfs/dbraw/zinc/12/90/64/805129064.db2.gz PWRKMYFVUBVMRW-TUVASFSCSA-N 1 3 348.447 -0.619 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000979087474 805129074 /nfs/dbraw/zinc/12/90/74/805129074.db2.gz PWRKMYFVUBVMRW-TUVASFSCSA-N 1 3 348.447 -0.619 20 0 EBADHO Cc1nc(CN[C@@H](C)[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n[nH]1 ZINC000979446072 805384300 /nfs/dbraw/zinc/38/43/00/805384300.db2.gz JUTIDVVTLZPRQV-GXTWGEPZSA-N 1 3 348.451 -0.086 20 0 EBADHO O=C(N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000984357931 807266586 /nfs/dbraw/zinc/26/65/86/807266586.db2.gz OHRGXDNCJKSFJA-LNUIYOBLSA-N 1 3 348.447 -0.778 20 0 EBADHO C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055687 807829365 /nfs/dbraw/zinc/82/93/65/807829365.db2.gz CQCQWISKDFUGBY-PWSUYJOCSA-N 1 3 334.380 -0.917 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214779861 810280937 /nfs/dbraw/zinc/28/09/37/810280937.db2.gz BFTALAIRLXXXNR-JHJVBQTASA-N 1 3 339.440 -0.508 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214779861 810280941 /nfs/dbraw/zinc/28/09/41/810280941.db2.gz BFTALAIRLXXXNR-JHJVBQTASA-N 1 3 339.440 -0.508 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215540655 810335205 /nfs/dbraw/zinc/33/52/05/810335205.db2.gz PEVAWKXHIXVSRM-MGPQQGTHSA-N 1 3 346.497 -0.544 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215989474 810353851 /nfs/dbraw/zinc/35/38/51/810353851.db2.gz DBAYZBTVPRTSOF-IJLUTSLNSA-N 1 3 327.429 -0.652 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218015634 810473458 /nfs/dbraw/zinc/47/34/58/810473458.db2.gz WHZLRLGRHSLDFM-YUMQZZPRSA-N 1 3 328.344 -0.551 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]C[C@H]1F ZINC001218064987 810474711 /nfs/dbraw/zinc/47/47/11/810474711.db2.gz CEIRBTSFVVKESQ-RKDXNWHRSA-N 1 3 342.371 -0.161 20 0 EBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001218324225 810486922 /nfs/dbraw/zinc/48/69/22/810486922.db2.gz HLVISAZGVTUSOM-LPEHRKFASA-N 1 3 336.392 -0.253 20 0 EBADHO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001218662636 810517432 /nfs/dbraw/zinc/51/74/32/810517432.db2.gz ZRBCDQWBQIGHKY-RYUDHWBXSA-N 1 3 344.375 -0.259 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218751333 810526240 /nfs/dbraw/zinc/52/62/40/810526240.db2.gz XMDLPQDHRYKDFV-LBPRGKRZSA-N 1 3 329.426 -0.273 20 0 EBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnn1-c1ccncc1 ZINC001218743655 810527106 /nfs/dbraw/zinc/52/71/06/810527106.db2.gz WCFANNIQTNRGEC-CQSZACIVSA-N 1 3 329.408 -0.044 20 0 EBADHO C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219633924 810780405 /nfs/dbraw/zinc/78/04/05/810780405.db2.gz JGOFNVQLQJCXFS-QPSCCSFWSA-N 1 3 340.468 -0.025 20 0 EBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741880 810819155 /nfs/dbraw/zinc/81/91/55/810819155.db2.gz WXSFBKXYOJYOCQ-NWDGAFQWSA-N 1 3 327.429 -0.820 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743999 810820517 /nfs/dbraw/zinc/82/05/17/810820517.db2.gz QKXPKJDVUMYWQD-KBPBESRZSA-N 1 3 340.468 -0.107 20 0 EBADHO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ccc2c(n1)CCNC2 ZINC001219843845 810874778 /nfs/dbraw/zinc/87/47/78/810874778.db2.gz DPTAALXWLGXADW-UGSOOPFHSA-N 1 3 346.431 -0.148 20 0 EBADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854104 810880743 /nfs/dbraw/zinc/88/07/43/810880743.db2.gz CMOJRPOPOAHLKV-LVQVYYBASA-N 1 3 347.415 -0.060 20 0 EBADHO O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219901107 810901055 /nfs/dbraw/zinc/90/10/55/810901055.db2.gz CWKMNPAIJXCKQB-PRXAMGSTSA-N 1 3 330.388 -0.581 20 0 EBADHO COC(=O)C1(NC(=O)[C@H](N)CCC(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC001220001222 810941474 /nfs/dbraw/zinc/94/14/74/810941474.db2.gz MAGCYOLQWJLAIP-LLVKDONJSA-N 1 3 343.424 -0.153 20 0 EBADHO O=C(NCCCCCCN1C(=O)C=CC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220127529 810993291 /nfs/dbraw/zinc/99/32/91/810993291.db2.gz YGAICQVYUBUIQY-RDTXWAMCSA-N 1 3 348.447 -0.213 20 0 EBADHO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220149853 811001579 /nfs/dbraw/zinc/00/15/79/811001579.db2.gz GALZUNIPTPVZOY-WFGGJUAMSA-N 1 3 326.441 -0.537 20 0 EBADHO CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001220216563 811019415 /nfs/dbraw/zinc/01/94/15/811019415.db2.gz OCBWEZKDLMXWFK-PMPSAXMXSA-N 1 3 343.468 -0.318 20 0 EBADHO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001220216563 811019420 /nfs/dbraw/zinc/01/94/20/811019420.db2.gz OCBWEZKDLMXWFK-PMPSAXMXSA-N 1 3 343.468 -0.318 20 0 EBADHO C[N@@H+]1CCCN(CCNC(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC001220306314 811050959 /nfs/dbraw/zinc/05/09/59/811050959.db2.gz JHCVWHJAEAYCPP-AWEZNQCLSA-N 1 3 325.457 -0.920 20 0 EBADHO C[N@H+]1CCCN(CCNC(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC001220306314 811050966 /nfs/dbraw/zinc/05/09/66/811050966.db2.gz JHCVWHJAEAYCPP-AWEZNQCLSA-N 1 3 325.457 -0.920 20 0 EBADHO O=C(NC[C@H]1COCCN1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220431912 811105672 /nfs/dbraw/zinc/10/56/72/811105672.db2.gz SRZHHRIPNHVPCT-DLBZAZTESA-N 1 3 344.459 -0.187 20 0 EBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)Cc2cncn2C)O1 ZINC001220481713 811123869 /nfs/dbraw/zinc/12/38/69/811123869.db2.gz OOWGAUFKBREWIO-KYEXWDHISA-N 1 3 325.413 -0.869 20 0 EBADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1COC2(CNC2)CN1 ZINC001220651969 811190106 /nfs/dbraw/zinc/19/01/06/811190106.db2.gz TZQKQMXBOALLSO-OAHLLOKOSA-N 1 3 345.447 -0.957 20 0 EBADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220679438 811199171 /nfs/dbraw/zinc/19/91/71/811199171.db2.gz ZVAOOHNPUQILGF-MROQNXINSA-N 1 3 327.450 -0.448 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786027 811240070 /nfs/dbraw/zinc/24/00/70/811240070.db2.gz KMWUCVRTCDDNEZ-RDBSUJKOSA-N 1 3 334.424 -0.376 20 0 EBADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1COC2(CNC2)CN1 ZINC001221114425 811383689 /nfs/dbraw/zinc/38/36/89/811383689.db2.gz YYVCJTCHLOSPMH-CQSZACIVSA-N 1 3 345.447 -0.851 20 0 EBADHO NC(=O)NCCC[C@H](N)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221390131 811448986 /nfs/dbraw/zinc/44/89/86/811448986.db2.gz AKWZARYUNYSFOJ-ZDUSSCGKSA-N 1 3 336.440 -0.670 20 0 EBADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001221391896 811449089 /nfs/dbraw/zinc/44/90/89/811449089.db2.gz FDAWLAAVFGJBPG-OAHLLOKOSA-N 1 3 330.432 -0.144 20 0 EBADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946778 811569042 /nfs/dbraw/zinc/56/90/42/811569042.db2.gz BOCLQHQTFVBJRR-RBSFLKMASA-N 1 3 329.441 -0.895 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520833 811637429 /nfs/dbraw/zinc/63/74/29/811637429.db2.gz LGMIOKXKEPTKGC-JMSVASOKSA-N 1 3 328.407 -0.111 20 0 EBADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520833 811637437 /nfs/dbraw/zinc/63/74/37/811637437.db2.gz LGMIOKXKEPTKGC-JMSVASOKSA-N 1 3 328.407 -0.111 20 0 EBADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001226783313 811885287 /nfs/dbraw/zinc/88/52/87/811885287.db2.gz XAEATLHAEIAPKN-VXGBXAGGSA-N 1 3 339.440 -0.317 20 0 EBADHO C[NH+](C)CCC(=O)NC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC001228999131 812008706 /nfs/dbraw/zinc/00/87/06/812008706.db2.gz NLAUIDBUCFNPDR-HNNXBMFYSA-N 1 3 340.468 -0.498 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001230138751 812080492 /nfs/dbraw/zinc/08/04/92/812080492.db2.gz QZWHVGBRUMGPJZ-MGPQQGTHSA-N 1 3 331.482 0.000 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)C1 ZINC001230138751 812080501 /nfs/dbraw/zinc/08/05/01/812080501.db2.gz QZWHVGBRUMGPJZ-MGPQQGTHSA-N 1 3 331.482 0.000 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001080866406 812304150 /nfs/dbraw/zinc/30/41/50/812304150.db2.gz JKTALVLJGWODBF-CYBMUJFWSA-N 1 3 349.435 -0.626 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC2(CO)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001080866406 812304159 /nfs/dbraw/zinc/30/41/59/812304159.db2.gz JKTALVLJGWODBF-CYBMUJFWSA-N 1 3 349.435 -0.626 20 0 EBADHO CC[C@H](C(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001080902844 812332343 /nfs/dbraw/zinc/33/23/43/812332343.db2.gz OKSJWZIZBNWOMW-CQSZACIVSA-N 1 3 342.484 -0.252 20 0 EBADHO CCCN(C)CC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080930256 812364589 /nfs/dbraw/zinc/36/45/89/812364589.db2.gz QAKBRDBPNSUNAY-UHFFFAOYSA-N 1 3 342.484 -0.250 20 0 EBADHO O=C1NCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C12CNC2 ZINC001235069175 812469793 /nfs/dbraw/zinc/46/97/93/812469793.db2.gz KXNLBANMADPNKU-UHFFFAOYSA-N 1 3 329.448 -0.634 20 0 EBADHO O=S(=O)(CC1CC[NH2+]CC1)NCc1nnn2c1CNCCC2 ZINC001238248139 812524991 /nfs/dbraw/zinc/52/49/91/812524991.db2.gz QIQUPMZADIZKRR-UHFFFAOYSA-N 1 3 328.442 -0.810 20 0 EBADHO O[C@@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COCC(F)(F)C(F)F ZINC001245971076 812557265 /nfs/dbraw/zinc/55/72/65/812557265.db2.gz DTZSTVVBXLQARZ-ATZCPNFKSA-N 1 3 336.301 -0.084 20 0 EBADHO c1ncc(O[C@@H]2C[C@@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CCN3C2)cn1 ZINC001246706175 812581923 /nfs/dbraw/zinc/58/19/23/812581923.db2.gz BOJAZWCQMKUGBM-ARFHVFGLSA-N 1 3 344.463 -0.292 20 0 EBADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@@H]([NH2+]C[C@H](O)CO)C2 ZINC001252068852 812645900 /nfs/dbraw/zinc/64/59/00/812645900.db2.gz SULIEKOBBJJSAJ-CVEARBPZSA-N 1 3 335.448 -0.256 20 0 EBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN)CCN1C(=O)OC(C)(C)C ZINC001256490997 812733812 /nfs/dbraw/zinc/73/38/12/812733812.db2.gz ZVNABMJIFTUBPI-TUAOUCFPSA-N 1 3 331.413 -0.163 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001256780097 812739188 /nfs/dbraw/zinc/73/91/88/812739188.db2.gz RHWLOAQWVZQYKS-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO CN1CCN(CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001261454743 812909684 /nfs/dbraw/zinc/90/96/84/812909684.db2.gz QDERWUDMTDYSPO-HNNXBMFYSA-N 1 3 339.484 -0.612 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1c(C[NH3+])cnn1C ZINC001262007680 813028528 /nfs/dbraw/zinc/02/85/28/813028528.db2.gz NKURSMNNRNWGPK-CYBMUJFWSA-N 1 3 336.440 -0.449 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001262068277 813031530 /nfs/dbraw/zinc/03/15/30/813031530.db2.gz WYNUAIKRFOFFGQ-BETUJISGSA-N 1 3 340.468 -0.155 20 0 EBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001262075034 813034811 /nfs/dbraw/zinc/03/48/11/813034811.db2.gz ILMMASRNFKGWIL-HUUCEWRRSA-N 1 3 339.484 -0.532 20 0 EBADHO [NH3+]CCN1CCC[C@H](C(=O)NC2CCN([C@H]3CCOC3)CC2)C1=O ZINC001263160599 813108363 /nfs/dbraw/zinc/10/83/63/813108363.db2.gz IOGQLBSAFIKMRX-LSDHHAIUSA-N 1 3 338.452 -0.447 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265422735 813322402 /nfs/dbraw/zinc/32/24/02/813322402.db2.gz YHOAWNPOQWFIIH-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001265636551 813352908 /nfs/dbraw/zinc/35/29/08/813352908.db2.gz LHNUWANMJOEABC-UONOGXRCSA-N 1 3 338.452 -0.040 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700765 813438633 /nfs/dbraw/zinc/43/86/33/813438633.db2.gz LAYKAGUSJSKNPA-LSDHHAIUSA-N 1 3 342.484 -0.395 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266204878 813478079 /nfs/dbraw/zinc/47/80/79/813478079.db2.gz ZMZCETGZXJIWMI-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO CN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001266204878 813478083 /nfs/dbraw/zinc/47/80/83/813478083.db2.gz ZMZCETGZXJIWMI-OLZOCXBDSA-N 1 3 339.440 -0.364 20 0 EBADHO CN(C)C1(C(=O)NC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411620 813560934 /nfs/dbraw/zinc/56/09/34/813560934.db2.gz APYJCRBBFWWSIT-STQMWFEESA-N 1 3 336.436 -0.240 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001266704004 813645388 /nfs/dbraw/zinc/64/53/88/813645388.db2.gz QIRYGGCEBMRAAG-RRFJBIMHSA-N 1 3 340.468 -0.378 20 0 EBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCO[C@@H](C)C2)CC[N@H+]1C ZINC001266704004 813645394 /nfs/dbraw/zinc/64/53/94/813645394.db2.gz QIRYGGCEBMRAAG-RRFJBIMHSA-N 1 3 340.468 -0.378 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001266875414 813689733 /nfs/dbraw/zinc/68/97/33/813689733.db2.gz ZCFMWSWOFMTCLE-UONOGXRCSA-N 1 3 346.497 -0.400 20 0 EBADHO C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267003015 813729851 /nfs/dbraw/zinc/72/98/51/813729851.db2.gz YJKHZUUMQXCDFV-CHWSQXEVSA-N 1 3 337.424 -0.723 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267380505 813867555 /nfs/dbraw/zinc/86/75/55/813867555.db2.gz PUMNTQHZAYQNSL-VXGBXAGGSA-N 1 3 330.404 -0.481 20 0 EBADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474303 813911141 /nfs/dbraw/zinc/91/11/41/813911141.db2.gz PEUZYBNORPGERZ-UKRRQHHQSA-N 1 3 338.452 -0.040 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001082517828 813962211 /nfs/dbraw/zinc/96/22/11/813962211.db2.gz IRGOMNYBKPEKRK-YRGRVCCFSA-N 1 3 336.440 -0.631 20 0 EBADHO C[C@H](N[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001082517827 813962402 /nfs/dbraw/zinc/96/24/02/813962402.db2.gz IRGOMNYBKPEKRK-MBNYWOFBSA-N 1 3 336.440 -0.631 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001268576213 814300995 /nfs/dbraw/zinc/30/09/95/814300995.db2.gz UEPSFDNQGVRKLU-GWSUEFFPSA-N 1 3 329.466 -0.223 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001268576214 814302072 /nfs/dbraw/zinc/30/20/72/814302072.db2.gz UEPSFDNQGVRKLU-KUHFFWNOSA-N 1 3 329.466 -0.223 20 0 EBADHO C[NH+]1CCC(C(=O)NC/C=C/CNCCNS(C)(=O)=O)CC1 ZINC001268586632 814305989 /nfs/dbraw/zinc/30/59/89/814305989.db2.gz FGKPBMMZJAAOFA-ONEGZZNKSA-N 1 3 332.470 -0.861 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626108 814325454 /nfs/dbraw/zinc/32/54/54/814325454.db2.gz MSWRSAWUWFERAD-XQJDBVBESA-N 1 3 344.419 -0.264 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626108 814325460 /nfs/dbraw/zinc/32/54/60/814325460.db2.gz MSWRSAWUWFERAD-XQJDBVBESA-N 1 3 344.419 -0.264 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626109 814325824 /nfs/dbraw/zinc/32/58/24/814325824.db2.gz MSWRSAWUWFERAD-YWVDXFKGSA-N 1 3 344.419 -0.264 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626109 814325829 /nfs/dbraw/zinc/32/58/29/814325829.db2.gz MSWRSAWUWFERAD-YWVDXFKGSA-N 1 3 344.419 -0.264 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001268810393 814393752 /nfs/dbraw/zinc/39/37/52/814393752.db2.gz IAPMABUVCSBEBT-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268920835 814442643 /nfs/dbraw/zinc/44/26/43/814442643.db2.gz XRULPPWJBKIWAI-QWHCGFSZSA-N 1 3 343.472 -0.145 20 0 EBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001268920907 814442707 /nfs/dbraw/zinc/44/27/07/814442707.db2.gz YWAVDSIVECCJAY-GXTWGEPZSA-N 1 3 326.441 -0.184 20 0 EBADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2CC1 ZINC001268996302 814467456 /nfs/dbraw/zinc/46/74/56/814467456.db2.gz LGYJZXBBXQUMQX-BETUJISGSA-N 1 3 338.456 -0.930 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269186395 814572751 /nfs/dbraw/zinc/57/27/51/814572751.db2.gz GJWZAZWUGAMBFY-QGZVFWFLSA-N 1 3 340.468 -0.280 20 0 EBADHO CC[NH+](CC)CCC(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001270535755 815807105 /nfs/dbraw/zinc/80/71/05/815807105.db2.gz XDLRVDAJZAENDJ-UHFFFAOYSA-N 1 3 340.468 -0.280 20 0 EBADHO CN(C)CCN1CC2(CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)OCC1=O ZINC001270961938 815939828 /nfs/dbraw/zinc/93/98/28/815939828.db2.gz FDUBPHGOFHQJJC-OKILXGFUSA-N 1 3 338.452 -0.672 20 0 EBADHO C[C@H](O)CN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714022 815966505 /nfs/dbraw/zinc/96/65/05/815966505.db2.gz KIRVSBJUDAEONN-SQWLQELKSA-N 1 3 335.452 -0.028 20 0 EBADHO C[C@H](C[NH2+]CCN1CCCS1(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001271068494 815973881 /nfs/dbraw/zinc/97/38/81/815973881.db2.gz PXRPPZITEOJOGL-ZIAGYGMSSA-N 1 3 346.497 -0.447 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091629 816226482 /nfs/dbraw/zinc/22/64/82/816226482.db2.gz HHCKDODCFSCNCN-CTASWTNQSA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091629 816226484 /nfs/dbraw/zinc/22/64/84/816226484.db2.gz HHCKDODCFSCNCN-CTASWTNQSA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091631 816227229 /nfs/dbraw/zinc/22/72/29/816227229.db2.gz HHCKDODCFSCNCN-HLPPOEQASA-N 1 3 348.451 -0.337 20 0 EBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091631 816227232 /nfs/dbraw/zinc/22/72/32/816227232.db2.gz HHCKDODCFSCNCN-HLPPOEQASA-N 1 3 348.451 -0.337 20 0 EBADHO Cc1nn(C)cc1CNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001272250339 816370472 /nfs/dbraw/zinc/37/04/72/816370472.db2.gz BEFAWVUFSJYFRN-UHFFFAOYSA-N 1 3 337.468 -0.019 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383672 816416348 /nfs/dbraw/zinc/41/63/48/816416348.db2.gz ITUIVHQUGAWQCE-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087088009 816460608 /nfs/dbraw/zinc/46/06/08/816460608.db2.gz GBKPUIHWTYFZDX-MRVWCRGKSA-N 1 3 335.408 -0.706 20 0 EBADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087828405 816564380 /nfs/dbraw/zinc/56/43/80/816564380.db2.gz KEASHDPHEPZRMV-QLFBSQMISA-N 1 3 337.468 -0.068 20 0 EBADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087828405 816564382 /nfs/dbraw/zinc/56/43/82/816564382.db2.gz KEASHDPHEPZRMV-QLFBSQMISA-N 1 3 337.468 -0.068 20 0 EBADHO C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001273019316 816568331 /nfs/dbraw/zinc/56/83/31/816568331.db2.gz VHJCJMIAEZIWBY-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](O)C1)C2 ZINC001273068672 816577756 /nfs/dbraw/zinc/57/77/56/816577756.db2.gz BABJQEKPGZGFQT-WMZOPIPTSA-N 1 3 338.496 -0.071 20 0 EBADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](O)C1)C2 ZINC001273068670 816577796 /nfs/dbraw/zinc/57/77/96/816577796.db2.gz BABJQEKPGZGFQT-SJLPKXTDSA-N 1 3 338.496 -0.071 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969482 816958236 /nfs/dbraw/zinc/95/82/36/816958236.db2.gz UFEQQYXYVNIWGO-GJZGRUSLSA-N 1 3 325.453 -0.082 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)C1 ZINC001089969482 816958244 /nfs/dbraw/zinc/95/82/44/816958244.db2.gz UFEQQYXYVNIWGO-GJZGRUSLSA-N 1 3 325.453 -0.082 20 0 EBADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471530 816974975 /nfs/dbraw/zinc/97/49/75/816974975.db2.gz IAQNBOPCPLKLMN-MUBLQREKSA-N 1 3 326.441 -0.506 20 0 EBADHO CC(C)OC[C@@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628566 817045935 /nfs/dbraw/zinc/04/59/35/817045935.db2.gz UWZWFXVKUSUNRB-RDJZCZTQSA-N 1 3 343.468 -0.363 20 0 EBADHO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001274919033 817120951 /nfs/dbraw/zinc/12/09/51/817120951.db2.gz INJCQXGNKFIRLO-CHWSQXEVSA-N 1 3 334.486 -0.686 20 0 EBADHO CCS(=O)(=O)NCCNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001275156604 817157965 /nfs/dbraw/zinc/15/79/65/817157965.db2.gz GLLBZTKGGAGHAH-GXTWGEPZSA-N 1 3 346.497 -0.638 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001276404153 817399062 /nfs/dbraw/zinc/39/90/62/817399062.db2.gz GTTPXWCVXAXOTQ-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001277234135 817535557 /nfs/dbraw/zinc/53/55/57/817535557.db2.gz SXYVTTAVAKRWTJ-UHFFFAOYSA-N 1 3 348.407 -0.559 20 0 EBADHO CN(C)C(=O)CNCCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001279423064 817929990 /nfs/dbraw/zinc/92/99/90/817929990.db2.gz QTPXJXHDPBNADH-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927700 818534285 /nfs/dbraw/zinc/53/42/85/818534285.db2.gz HCMLMMGVDKZUCH-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CN(CCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899576 819870025 /nfs/dbraw/zinc/87/00/25/819870025.db2.gz VNISVXFIZVBRGG-JKSUJKDBSA-N 1 3 336.436 -0.158 20 0 EBADHO CCCCOCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074672 820166605 /nfs/dbraw/zinc/16/66/05/820166605.db2.gz QXFWQWUTSPPYLT-HOTGVXAUSA-N 1 3 345.484 -0.067 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102497332 821125998 /nfs/dbraw/zinc/12/59/98/821125998.db2.gz NEEWLHPXPWIYPO-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102497332 821126004 /nfs/dbraw/zinc/12/60/04/821126004.db2.gz NEEWLHPXPWIYPO-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722448 821344563 /nfs/dbraw/zinc/34/45/63/821344563.db2.gz NNTZELNJQGXLFO-CHWSQXEVSA-N 1 3 339.440 -0.649 20 0 EBADHO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722448 821344574 /nfs/dbraw/zinc/34/45/74/821344574.db2.gz NNTZELNJQGXLFO-CHWSQXEVSA-N 1 3 339.440 -0.649 20 0 EBADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641940 821335692 /nfs/dbraw/zinc/33/56/92/821335692.db2.gz JZMAEZGTHJVEIM-HUUCEWRRSA-N 1 3 342.484 -0.225 20 0 EBADHO CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105660443 821789410 /nfs/dbraw/zinc/78/94/10/821789410.db2.gz VDYIGBLXFIJQIO-KFZJALRRSA-N 1 3 340.468 -0.611 20 0 EBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001316635877 821822736 /nfs/dbraw/zinc/82/27/36/821822736.db2.gz HOXXFXATKNXEIV-XUXIUFHCSA-N 1 3 336.436 -0.382 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317062037 821990798 /nfs/dbraw/zinc/99/07/98/821990798.db2.gz UJJOFUWEYRWTPO-SOUVJXGZSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001317308921 822078161 /nfs/dbraw/zinc/07/81/61/822078161.db2.gz ZIXXWJPWFGLHPK-NEPJUHHUSA-N 1 3 327.429 -0.508 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)N(C)C ZINC001106281884 822240922 /nfs/dbraw/zinc/24/09/22/822240922.db2.gz JDPOIURAXDDSKS-BZPMIXESSA-N 1 3 341.456 -0.548 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106908014 822351908 /nfs/dbraw/zinc/35/19/08/822351908.db2.gz LZDHSAQXHUOJRZ-JHJVBQTASA-N 1 3 341.456 -0.404 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128774168 828524681 /nfs/dbraw/zinc/52/46/81/828524681.db2.gz NINKOIZMYVMDDS-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128774168 828524685 /nfs/dbraw/zinc/52/46/85/828524685.db2.gz NINKOIZMYVMDDS-CYBMUJFWSA-N 1 3 341.456 -0.198 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001107042448 823721638 /nfs/dbraw/zinc/72/16/38/823721638.db2.gz MZHNUHJSJCMQOC-FRRDWIJNSA-N 1 3 341.456 -0.406 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341451 828601368 /nfs/dbraw/zinc/60/13/68/828601368.db2.gz VCVBSJOYLGIEJK-ZDUSSCGKSA-N 1 3 341.456 -0.484 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341451 828601369 /nfs/dbraw/zinc/60/13/69/828601369.db2.gz VCVBSJOYLGIEJK-ZDUSSCGKSA-N 1 3 341.456 -0.484 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341468 828601565 /nfs/dbraw/zinc/60/15/65/828601565.db2.gz VNRASRLDGADVTN-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341468 828601568 /nfs/dbraw/zinc/60/15/68/828601568.db2.gz VNRASRLDGADVTN-OAHLLOKOSA-N 1 3 342.484 -0.177 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CCC1 ZINC001129363005 828604584 /nfs/dbraw/zinc/60/45/84/828604584.db2.gz DGTFLZBRLBIXGL-CABCVRRESA-N 1 3 343.468 -0.267 20 0 EBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364159 828605751 /nfs/dbraw/zinc/60/57/51/828605751.db2.gz QEIATCUVWJPUJL-OAHLLOKOSA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364159 828605756 /nfs/dbraw/zinc/60/57/56/828605756.db2.gz QEIATCUVWJPUJL-OAHLLOKOSA-N 1 3 340.468 -0.140 20 0 EBADHO CN(C)C1(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CCC1 ZINC001129380615 828608472 /nfs/dbraw/zinc/60/84/72/828608472.db2.gz KIOSLXWNVUYLGX-UHFFFAOYSA-N 1 3 339.440 -0.493 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129421691 828615747 /nfs/dbraw/zinc/61/57/47/828615747.db2.gz BQSBYVAILMJSPN-STQMWFEESA-N 1 3 341.456 -0.201 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421691 828615754 /nfs/dbraw/zinc/61/57/54/828615754.db2.gz BQSBYVAILMJSPN-STQMWFEESA-N 1 3 341.456 -0.201 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001129423892 828617121 /nfs/dbraw/zinc/61/71/21/828617121.db2.gz YFZDNKNVTOXNAT-ZDUSSCGKSA-N 1 3 334.486 -0.496 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001129423892 828617123 /nfs/dbraw/zinc/61/71/23/828617123.db2.gz YFZDNKNVTOXNAT-ZDUSSCGKSA-N 1 3 334.486 -0.496 20 0 EBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001129435290 828619444 /nfs/dbraw/zinc/61/94/44/828619444.db2.gz DVEAQAUBMWQYRE-DZGCQCFKSA-N 1 3 326.441 -0.672 20 0 EBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444714 828619998 /nfs/dbraw/zinc/61/99/98/828619998.db2.gz XQBLMEXPKQQDGB-JSGCOSHPSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC001129437354 828620044 /nfs/dbraw/zinc/62/00/44/828620044.db2.gz ZHDVGRIFIHCIFW-CYBMUJFWSA-N 1 3 331.482 -0.143 20 0 EBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442472 828620620 /nfs/dbraw/zinc/62/06/20/828620620.db2.gz AMSXRKQBTJWNKT-IUODEOHRSA-N 1 3 326.441 -0.720 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449131 828621725 /nfs/dbraw/zinc/62/17/25/828621725.db2.gz ISCGFERGHGWSHR-INIZCTEOSA-N 1 3 342.484 -0.036 20 0 EBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532142 828631053 /nfs/dbraw/zinc/63/10/53/828631053.db2.gz SBHMTHVAAGTYHA-UKRRQHHQSA-N 1 3 331.457 -0.411 20 0 EBADHO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768830 824434050 /nfs/dbraw/zinc/43/40/50/824434050.db2.gz HPRJVQRXIKPPLA-UMNHJUIQSA-N 1 3 334.380 -0.884 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001129849744 828681717 /nfs/dbraw/zinc/68/17/17/828681717.db2.gz SQLLUULEYVYGDP-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001129849744 828681720 /nfs/dbraw/zinc/68/17/20/828681720.db2.gz SQLLUULEYVYGDP-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)N(C)C ZINC001129899914 828690813 /nfs/dbraw/zinc/69/08/13/828690813.db2.gz RUQIHMYTGBGUNM-ILXRZTDVSA-N 1 3 338.456 -0.412 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001110979882 824825882 /nfs/dbraw/zinc/82/58/82/824825882.db2.gz HIZVCCBJXFDPSP-FPCVCCKLSA-N 1 3 335.452 -0.083 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC1CCOCC1)[NH+](C)C ZINC001129947027 828698787 /nfs/dbraw/zinc/69/87/87/828698787.db2.gz GNNJGJZCGFEPAQ-HNNXBMFYSA-N 1 3 328.457 -0.426 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947421 828698872 /nfs/dbraw/zinc/69/88/72/828698872.db2.gz ZABXLCQICPQSQW-ZDUSSCGKSA-N 1 3 329.445 -0.486 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001179585406 832990625 /nfs/dbraw/zinc/99/06/25/832990625.db2.gz GWDYJTPWZXFYHP-CYBMUJFWSA-N 1 3 341.456 -0.211 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001130106952 828732435 /nfs/dbraw/zinc/73/24/35/828732435.db2.gz BAKYAXFWRIAMJS-CABCVRRESA-N 1 3 338.456 -0.002 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130107650 828732821 /nfs/dbraw/zinc/73/28/21/828732821.db2.gz TZTPSPVXFYKLEO-ZNMIVQPWSA-N 1 3 338.456 -0.004 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122942 828736448 /nfs/dbraw/zinc/73/64/48/828736448.db2.gz COODIVMVOZWCQK-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122942 828736451 /nfs/dbraw/zinc/73/64/51/828736451.db2.gz COODIVMVOZWCQK-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173874 828745273 /nfs/dbraw/zinc/74/52/73/828745273.db2.gz SAZMJPKWPPULSV-LBPRGKRZSA-N 1 3 339.440 -0.588 20 0 EBADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160113 825394989 /nfs/dbraw/zinc/39/49/89/825394989.db2.gz SNHHNDJEGSOUDF-QJPTWQEYSA-N 1 3 341.374 -0.076 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001130427100 828830863 /nfs/dbraw/zinc/83/08/63/828830863.db2.gz IYUKXZUCFHMXHO-CQSZACIVSA-N 1 3 345.484 -0.021 20 0 EBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179744575 833006931 /nfs/dbraw/zinc/00/69/31/833006931.db2.gz WSUMEODGNSSQCI-SRVKXCTJSA-N 1 3 327.429 -0.509 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001114415984 826240284 /nfs/dbraw/zinc/24/02/84/826240284.db2.gz FRFVNDZREXDONY-LISAXSMJSA-N 1 3 347.463 -0.225 20 0 EBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001114415984 826240293 /nfs/dbraw/zinc/24/02/93/826240293.db2.gz FRFVNDZREXDONY-LISAXSMJSA-N 1 3 347.463 -0.225 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934356 833027599 /nfs/dbraw/zinc/02/75/99/833027599.db2.gz ZOMGJPQUOZSMGB-STQMWFEESA-N 1 3 335.470 -0.812 20 0 EBADHO CN(CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)c1cc[nH+]cc1 ZINC001114496702 826265658 /nfs/dbraw/zinc/26/56/58/826265658.db2.gz QYBRTTVRJALKLY-VQFNDLOPSA-N 1 3 348.447 -0.037 20 0 EBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204460 833055707 /nfs/dbraw/zinc/05/57/07/833055707.db2.gz SWDJRBQOHVBUOR-STQMWFEESA-N 1 3 339.440 -0.364 20 0 EBADHO CN1CCC(CO)(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180612546 833096921 /nfs/dbraw/zinc/09/69/21/833096921.db2.gz YMDQFJXYKFDWTB-UHFFFAOYSA-N 1 3 326.441 -0.853 20 0 EBADHO CN(CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC001119354729 827100939 /nfs/dbraw/zinc/10/09/39/827100939.db2.gz LRFLBLKAZAKKLA-MWLCHTKSSA-N 1 3 336.358 -0.208 20 0 EBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNCCO3)C[C@@H]2C1 ZINC001120434952 827220173 /nfs/dbraw/zinc/22/01/73/827220173.db2.gz VBUNUSQXTGNMDQ-BARDWOONSA-N 1 3 338.452 -0.720 20 0 EBADHO CCN1CCN(CCC[NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC001120570588 827246051 /nfs/dbraw/zinc/24/60/51/827246051.db2.gz ULIALNKIPVLVQA-KRWDZBQOSA-N 1 3 327.517 -0.788 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001181652817 833170758 /nfs/dbraw/zinc/17/07/58/833170758.db2.gz QSTIZDOGGRYROA-HZPDHXFCSA-N 1 3 345.447 -0.018 20 0 EBADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652780 833171163 /nfs/dbraw/zinc/17/11/63/833171163.db2.gz PNHJKUYGLQQVPE-ZIAGYGMSSA-N 1 3 325.457 -0.021 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288322 833285660 /nfs/dbraw/zinc/28/56/60/833285660.db2.gz DCWQZXGHZKRKGD-GFCCVEGCSA-N 1 3 339.440 -0.493 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581855 833296187 /nfs/dbraw/zinc/29/61/87/833296187.db2.gz MVVMYEGQVOFNBO-ZIAGYGMSSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)N(C)C ZINC001183592221 833296252 /nfs/dbraw/zinc/29/62/52/833296252.db2.gz OTIMYZJTUBGBTP-QJPTWQEYSA-N 1 3 327.429 -0.639 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001127065720 828246790 /nfs/dbraw/zinc/24/67/90/828246790.db2.gz DKIZWMGIUBGJAA-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001127065720 828246794 /nfs/dbraw/zinc/24/67/94/828246794.db2.gz DKIZWMGIUBGJAA-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257195 828270262 /nfs/dbraw/zinc/27/02/62/828270262.db2.gz WGYPUHXWGNZQTM-CHWSQXEVSA-N 1 3 339.440 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257195 828270269 /nfs/dbraw/zinc/27/02/69/828270269.db2.gz WGYPUHXWGNZQTM-CHWSQXEVSA-N 1 3 339.440 -0.588 20 0 EBADHO CN1CCC[C@@H](NCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127558909 828302522 /nfs/dbraw/zinc/30/25/22/828302522.db2.gz VFAAKSLBOMUQGM-CQSZACIVSA-N 1 3 336.440 -0.615 20 0 EBADHO CC[C@H](C)NC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575747 828303807 /nfs/dbraw/zinc/30/38/07/828303807.db2.gz AMOXOXYNWYOYMP-ZDUSSCGKSA-N 1 3 338.456 -0.321 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001127701504 828317115 /nfs/dbraw/zinc/31/71/15/828317115.db2.gz QWEOFFSASGGIRD-SOUVJXGZSA-N 1 3 340.468 -0.330 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCO[C@@H](C)C2)CC[N@H+]1C ZINC001127701504 828317124 /nfs/dbraw/zinc/31/71/24/828317124.db2.gz QWEOFFSASGGIRD-SOUVJXGZSA-N 1 3 340.468 -0.330 20 0 EBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184424809 833329936 /nfs/dbraw/zinc/32/99/36/833329936.db2.gz MRJMGZKEJDLFOM-GYMHETDLSA-N 1 3 339.436 -0.951 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130709179 828920103 /nfs/dbraw/zinc/92/01/03/828920103.db2.gz WJGDORAWSNMMTM-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130709179 828920108 /nfs/dbraw/zinc/92/01/08/828920108.db2.gz WJGDORAWSNMMTM-QWHCGFSZSA-N 1 3 341.456 -0.343 20 0 EBADHO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184877577 833342386 /nfs/dbraw/zinc/34/23/86/833342386.db2.gz UJJOFUWEYRWTPO-RRFJBIMHSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001185168754 833349011 /nfs/dbraw/zinc/34/90/11/833349011.db2.gz WWBVXQRECLNHLB-MELADBBJSA-N 1 3 346.497 -0.544 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001185168754 833349013 /nfs/dbraw/zinc/34/90/13/833349013.db2.gz WWBVXQRECLNHLB-MELADBBJSA-N 1 3 346.497 -0.544 20 0 EBADHO C[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001185212733 833350353 /nfs/dbraw/zinc/35/03/53/833350353.db2.gz AKBSWMUGDYVSTF-WDEREUQCSA-N 1 3 325.413 -0.898 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185238827 833351087 /nfs/dbraw/zinc/35/10/87/833351087.db2.gz TZIINYLDKYHBJE-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185400583 833357876 /nfs/dbraw/zinc/35/78/76/833357876.db2.gz DJKXQWZLNDJGHY-CYBMUJFWSA-N 1 3 339.440 -0.636 20 0 EBADHO CNC(=O)CN[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185742516 833369114 /nfs/dbraw/zinc/36/91/14/833369114.db2.gz MGIPAZMXGCEVID-UONOGXRCSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185750699 833369646 /nfs/dbraw/zinc/36/96/46/833369646.db2.gz MBWYSKHWRGIEIK-QWHCGFSZSA-N 1 3 341.456 -0.404 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CCN(CCO)C2)O1 ZINC001131694096 829188825 /nfs/dbraw/zinc/18/88/25/829188825.db2.gz UHCIRBJYCKYTJL-GDBMZVCRSA-N 1 3 329.441 -0.751 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185918541 833377769 /nfs/dbraw/zinc/37/77/69/833377769.db2.gz MTSFSSPMAAIJCF-GFCCVEGCSA-N 1 3 343.453 -0.528 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790823 829217662 /nfs/dbraw/zinc/21/76/62/829217662.db2.gz WMXAHCZQEDIVEL-CYBMUJFWSA-N 1 3 332.470 -0.884 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790564 829217915 /nfs/dbraw/zinc/21/79/15/829217915.db2.gz PIWMTDYODRVTIU-CQSZACIVSA-N 1 3 346.497 -0.494 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790517 829218351 /nfs/dbraw/zinc/21/83/51/829218351.db2.gz OTSOSGUHOBAJSO-INIZCTEOSA-N 1 3 340.468 -0.281 20 0 EBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001132736878 829511476 /nfs/dbraw/zinc/51/14/76/829511476.db2.gz FFROBGWWHDBQKM-HNNXBMFYSA-N 1 3 340.468 -0.327 20 0 EBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001132736878 829511482 /nfs/dbraw/zinc/51/14/82/829511482.db2.gz FFROBGWWHDBQKM-HNNXBMFYSA-N 1 3 340.468 -0.327 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(=O)NCC)C1 ZINC001132738286 829511639 /nfs/dbraw/zinc/51/16/39/829511639.db2.gz YLNSISHPAYFNMK-CYBMUJFWSA-N 1 3 341.456 -0.340 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(=O)NCC)C1 ZINC001132738286 829511648 /nfs/dbraw/zinc/51/16/48/829511648.db2.gz YLNSISHPAYFNMK-CYBMUJFWSA-N 1 3 341.456 -0.340 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCCCOC)C1 ZINC001132737670 829511775 /nfs/dbraw/zinc/51/17/75/829511775.db2.gz OPLTXUWQUXKCKN-OAHLLOKOSA-N 1 3 342.484 -0.033 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCCCOC)C1 ZINC001132737670 829511780 /nfs/dbraw/zinc/51/17/80/829511780.db2.gz OPLTXUWQUXKCKN-OAHLLOKOSA-N 1 3 342.484 -0.033 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001132738436 829511874 /nfs/dbraw/zinc/51/18/74/829511874.db2.gz CTKOHEOQZPGZQJ-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001132738436 829511875 /nfs/dbraw/zinc/51/18/75/829511875.db2.gz CTKOHEOQZPGZQJ-QWHCGFSZSA-N 1 3 341.456 -0.342 20 0 EBADHO COc1cncc(CNCCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC001132848772 829535630 /nfs/dbraw/zinc/53/56/30/829535630.db2.gz RGYAEOMOJPAPLF-CQSZACIVSA-N 1 3 337.424 -0.200 20 0 EBADHO COc1cncc(CNCCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001132848772 829535632 /nfs/dbraw/zinc/53/56/32/829535632.db2.gz RGYAEOMOJPAPLF-CQSZACIVSA-N 1 3 337.424 -0.200 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001132886811 829544408 /nfs/dbraw/zinc/54/44/08/829544408.db2.gz UKUNBAKGBXAWET-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO C[C@H]1C[C@@H](C(=O)NCCNCCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001132886811 829544412 /nfs/dbraw/zinc/54/44/12/829544412.db2.gz UKUNBAKGBXAWET-KBPBESRZSA-N 1 3 346.497 -0.542 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893594 829546112 /nfs/dbraw/zinc/54/61/12/829546112.db2.gz UCGZJGXVVYPWIL-ZNMIVQPWSA-N 1 3 342.484 -0.036 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893594 829546116 /nfs/dbraw/zinc/54/61/16/829546116.db2.gz UCGZJGXVVYPWIL-ZNMIVQPWSA-N 1 3 342.484 -0.036 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186807702 833428856 /nfs/dbraw/zinc/42/88/56/833428856.db2.gz CXJSDPKNJFABMU-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186807702 833428861 /nfs/dbraw/zinc/42/88/61/833428861.db2.gz CXJSDPKNJFABMU-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275692 829614541 /nfs/dbraw/zinc/61/45/41/829614541.db2.gz WGKOUHCISOPLNX-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415719 829630045 /nfs/dbraw/zinc/63/00/45/829630045.db2.gz LKLASUJYWHCEFV-VXGBXAGGSA-N 1 3 329.445 -0.487 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133685356 829662148 /nfs/dbraw/zinc/66/21/48/829662148.db2.gz ULGHQOGQLBDHRN-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001133845635 829685449 /nfs/dbraw/zinc/68/54/49/829685449.db2.gz KHJXRZKCWLWVBO-NSHDSACASA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001133845635 829685456 /nfs/dbraw/zinc/68/54/56/829685456.db2.gz KHJXRZKCWLWVBO-NSHDSACASA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001133846351 829685786 /nfs/dbraw/zinc/68/57/86/829685786.db2.gz ZGLQBBCXGXCKRW-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@@H]2CCCO2)C1 ZINC001133846351 829685791 /nfs/dbraw/zinc/68/57/91/829685791.db2.gz ZGLQBBCXGXCKRW-KGLIPLIRSA-N 1 3 326.441 -0.671 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133849643 829686668 /nfs/dbraw/zinc/68/66/68/829686668.db2.gz BDRSXRULAQDBOX-AWEZNQCLSA-N 1 3 331.392 -0.900 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001133849643 829686670 /nfs/dbraw/zinc/68/66/70/829686670.db2.gz BDRSXRULAQDBOX-AWEZNQCLSA-N 1 3 331.392 -0.900 20 0 EBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001133856644 829688176 /nfs/dbraw/zinc/68/81/76/829688176.db2.gz MQODBMPMLMQPOT-MEDUHNTESA-N 1 3 342.415 -0.290 20 0 EBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001133856644 829688180 /nfs/dbraw/zinc/68/81/80/829688180.db2.gz MQODBMPMLMQPOT-MEDUHNTESA-N 1 3 342.415 -0.290 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133864231 829690033 /nfs/dbraw/zinc/69/00/33/829690033.db2.gz XJPXZFPNHNVWEU-OLZOCXBDSA-N 1 3 341.456 -0.628 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133864231 829690035 /nfs/dbraw/zinc/69/00/35/829690035.db2.gz XJPXZFPNHNVWEU-OLZOCXBDSA-N 1 3 341.456 -0.628 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866904 829690073 /nfs/dbraw/zinc/69/00/73/829690073.db2.gz PUDGSBFKZZWSOI-DZGCQCFKSA-N 1 3 333.436 -0.399 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133866904 829690076 /nfs/dbraw/zinc/69/00/76/829690076.db2.gz PUDGSBFKZZWSOI-DZGCQCFKSA-N 1 3 333.436 -0.399 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133864233 829690101 /nfs/dbraw/zinc/69/01/01/829690101.db2.gz XJPXZFPNHNVWEU-STQMWFEESA-N 1 3 341.456 -0.628 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133864233 829690106 /nfs/dbraw/zinc/69/01/06/829690106.db2.gz XJPXZFPNHNVWEU-STQMWFEESA-N 1 3 341.456 -0.628 20 0 EBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001133893491 829695532 /nfs/dbraw/zinc/69/55/32/829695532.db2.gz GRZRJYZFPNOFNI-UHFFFAOYSA-N 1 3 346.497 -0.540 20 0 EBADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744162 830018691 /nfs/dbraw/zinc/01/86/91/830018691.db2.gz XATKWROGWOZOCL-VXGBXAGGSA-N 1 3 329.445 -0.343 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268921 837420051 /nfs/dbraw/zinc/42/00/51/837420051.db2.gz LYGQRYXGNGQQIV-GFCCVEGCSA-N 1 3 327.429 -0.637 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383864 830195962 /nfs/dbraw/zinc/19/59/62/830195962.db2.gz KBLZQXBUDXOGDT-UHFFFAOYSA-N 1 3 327.429 -0.732 20 0 EBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001146710656 830221500 /nfs/dbraw/zinc/22/15/00/830221500.db2.gz KOYYANCAXJQMDP-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001146710656 830221503 /nfs/dbraw/zinc/22/15/03/830221503.db2.gz KOYYANCAXJQMDP-ZIAGYGMSSA-N 1 3 328.457 -0.282 20 0 EBADHO C[C@@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)NC(N)=O ZINC001147301418 830318853 /nfs/dbraw/zinc/31/88/53/830318853.db2.gz XQKPKLNBPVDBDY-LLVKDONJSA-N 1 3 339.440 -0.602 20 0 EBADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CCN(CCOCCO)C2 ZINC001147572846 830365303 /nfs/dbraw/zinc/36/53/03/830365303.db2.gz LOTVZPPMJFWZPB-INIZCTEOSA-N 1 3 337.464 -0.129 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877585 830425320 /nfs/dbraw/zinc/42/53/20/830425320.db2.gz MFMRUTDBRTXJIG-VXGBXAGGSA-N 1 3 327.429 -0.732 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877585 830425324 /nfs/dbraw/zinc/42/53/24/830425324.db2.gz MFMRUTDBRTXJIG-VXGBXAGGSA-N 1 3 327.429 -0.732 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001147878270 830425340 /nfs/dbraw/zinc/42/53/40/830425340.db2.gz WYIDHOJUXJECMX-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CCOCC2)C1 ZINC001147878270 830425341 /nfs/dbraw/zinc/42/53/41/830425341.db2.gz WYIDHOJUXJECMX-ZDUSSCGKSA-N 1 3 326.441 -0.671 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001147878084 830425411 /nfs/dbraw/zinc/42/54/11/830425411.db2.gz RKRWOIGNABUJNZ-CQSZACIVSA-N 1 3 333.436 -0.255 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001147878084 830425413 /nfs/dbraw/zinc/42/54/13/830425413.db2.gz RKRWOIGNABUJNZ-CQSZACIVSA-N 1 3 333.436 -0.255 20 0 EBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893803 830427014 /nfs/dbraw/zinc/42/70/14/830427014.db2.gz UDHDEXUJXZHMHR-AWEZNQCLSA-N 1 3 346.472 -0.798 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900452 830428280 /nfs/dbraw/zinc/42/82/80/830428280.db2.gz NFWWACVXNHESCF-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900452 830428285 /nfs/dbraw/zinc/42/82/85/830428285.db2.gz NFWWACVXNHESCF-KBPBESRZSA-N 1 3 328.457 -0.425 20 0 EBADHO CC(C)(C)NC(=O)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994372 830435841 /nfs/dbraw/zinc/43/58/41/830435841.db2.gz GFAPOXWRAILCPD-UHFFFAOYSA-N 1 3 339.440 -0.588 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)C1 ZINC001148284895 830464503 /nfs/dbraw/zinc/46/45/03/830464503.db2.gz IWJLUTFMLHRUHL-OAHLLOKOSA-N 1 3 325.453 -0.129 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)C1 ZINC001148284895 830464509 /nfs/dbraw/zinc/46/45/09/830464509.db2.gz IWJLUTFMLHRUHL-OAHLLOKOSA-N 1 3 325.453 -0.129 20 0 EBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001148359898 830475979 /nfs/dbraw/zinc/47/59/79/830475979.db2.gz GNEPWLBNKCKGQH-CQSZACIVSA-N 1 3 328.457 -0.281 20 0 EBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001148655844 830525224 /nfs/dbraw/zinc/52/52/24/830525224.db2.gz SSBPOYANURRULX-GJZGRUSLSA-N 1 3 331.457 -0.410 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855229 830765724 /nfs/dbraw/zinc/76/57/24/830765724.db2.gz WSIKYHSUOAERFS-CVEARBPZSA-N 1 3 343.468 -0.315 20 0 EBADHO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855229 830765728 /nfs/dbraw/zinc/76/57/28/830765728.db2.gz WSIKYHSUOAERFS-CVEARBPZSA-N 1 3 343.468 -0.315 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001150478827 830912635 /nfs/dbraw/zinc/91/26/35/830912635.db2.gz AFSNSXBLINOANS-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCCO1 ZINC001150478827 830912642 /nfs/dbraw/zinc/91/26/42/830912642.db2.gz AFSNSXBLINOANS-HUUCEWRRSA-N 1 3 331.457 -0.457 20 0 EBADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150625062 830948532 /nfs/dbraw/zinc/94/85/32/830948532.db2.gz IEEZYEVIBHEUME-JKSUJKDBSA-N 1 3 345.484 -0.067 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 ZINC001150625062 830948536 /nfs/dbraw/zinc/94/85/36/830948536.db2.gz IEEZYEVIBHEUME-JKSUJKDBSA-N 1 3 345.484 -0.067 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779228 830982575 /nfs/dbraw/zinc/98/25/75/830982575.db2.gz QKTGTRYOSOILKF-CABCVRRESA-N 1 3 331.457 -0.459 20 0 EBADHO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779228 830982578 /nfs/dbraw/zinc/98/25/78/830982578.db2.gz QKTGTRYOSOILKF-CABCVRRESA-N 1 3 331.457 -0.459 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001152148468 831133530 /nfs/dbraw/zinc/13/35/30/831133530.db2.gz QDMDJXZQUNOAMZ-ZIAGYGMSSA-N 1 3 348.513 -0.106 20 0 EBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001152136377 831134069 /nfs/dbraw/zinc/13/40/69/831134069.db2.gz BLSSKIXOSYLACS-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152146380 831134421 /nfs/dbraw/zinc/13/44/21/831134421.db2.gz JCJOVCRRZCYMSC-BETUJISGSA-N 1 3 334.486 -0.496 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152146380 831134424 /nfs/dbraw/zinc/13/44/24/831134424.db2.gz JCJOVCRRZCYMSC-BETUJISGSA-N 1 3 334.486 -0.496 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001152427185 831162132 /nfs/dbraw/zinc/16/21/32/831162132.db2.gz UHJLHZOQURRTJU-LLVKDONJSA-N 1 3 329.363 -0.028 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473987 831166479 /nfs/dbraw/zinc/16/64/79/831166479.db2.gz YARFFTUGCAKRJL-RYUDHWBXSA-N 1 3 327.429 -0.604 20 0 EBADHO C[C@@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001153309313 831222126 /nfs/dbraw/zinc/22/21/26/831222126.db2.gz LVAPGTWSWNOOQB-GFCCVEGCSA-N 1 3 327.429 -0.458 20 0 EBADHO C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCN1C)C(=O)Nc1ncccn1 ZINC001155791268 831430178 /nfs/dbraw/zinc/43/01/78/831430178.db2.gz UXUXCOQCEIJGPB-CHWSQXEVSA-N 1 3 334.424 -0.006 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157592929 831580179 /nfs/dbraw/zinc/58/01/79/831580179.db2.gz STKWOEHYGOHFPZ-XQQFMLRXSA-N 1 3 336.461 -0.187 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)COC1(C)C ZINC001157756321 831590559 /nfs/dbraw/zinc/59/05/59/831590559.db2.gz XCJFDAWPNVIDQW-MQIPJXDCSA-N 1 3 344.431 -0.023 20 0 EBADHO C[NH+]1CCN(C(=N)Nc2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC001157916282 831607722 /nfs/dbraw/zinc/60/77/22/831607722.db2.gz QYZFSZKVENECGC-UHFFFAOYSA-N 1 3 332.817 -0.024 20 0 EBADHO O=C(C[C@@H]1Cc2ccccc2CN1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092299 831627201 /nfs/dbraw/zinc/62/72/01/831627201.db2.gz MVGFGHKUNVMKJD-YJBOKZPZSA-N 1 3 328.416 -0.219 20 0 EBADHO O=C(CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cnccn1 ZINC001158195859 831639011 /nfs/dbraw/zinc/63/90/11/831639011.db2.gz FKGNBPILMXHRCM-AWEZNQCLSA-N 1 3 346.435 -0.147 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821275 831688351 /nfs/dbraw/zinc/68/83/51/831688351.db2.gz GKYOCOSMTXOQPA-CYBMUJFWSA-N 1 3 342.403 -0.387 20 0 EBADHO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]21 ZINC001159045435 831705757 /nfs/dbraw/zinc/70/57/57/831705757.db2.gz AHARIUOZMPJSKV-AAVRWANBSA-N 1 3 326.441 -0.606 20 0 EBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159224904 831725392 /nfs/dbraw/zinc/72/53/92/831725392.db2.gz MLHYVMUPRZVVAK-ILXRZTDVSA-N 1 3 332.448 -0.203 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272749 831734010 /nfs/dbraw/zinc/73/40/10/831734010.db2.gz NXPOUABLVQNHDK-MJBXVCDLSA-N 1 3 334.424 -0.651 20 0 EBADHO CCN1C[C@H]2CCN(C(=O)[C@H](N)CCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159402777 831750202 /nfs/dbraw/zinc/75/02/02/831750202.db2.gz DKZQZXBMFUZMTD-JHJVBQTASA-N 1 3 332.470 -0.675 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514991 831758125 /nfs/dbraw/zinc/75/81/25/831758125.db2.gz NDKJJADLIDGQJJ-GFCCVEGCSA-N 1 3 332.412 -0.679 20 0 EBADHO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001159519797 831759639 /nfs/dbraw/zinc/75/96/39/831759639.db2.gz MVXXOHDEQIRDEJ-LBPRGKRZSA-N 1 3 337.428 -0.945 20 0 EBADHO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]32)C1=O ZINC001159687929 831773214 /nfs/dbraw/zinc/77/32/14/831773214.db2.gz LTMVIWIZHDOMBS-UMPJEAMMSA-N 1 3 335.452 -0.060 20 0 EBADHO CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H]2C[C@H]([NH3+])CN2)CC1 ZINC001160391844 831842614 /nfs/dbraw/zinc/84/26/14/831842614.db2.gz RJAGYOWLLIXLRJ-KBPBESRZSA-N 1 3 337.468 -0.779 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C ZINC001160426651 831848155 /nfs/dbraw/zinc/84/81/55/831848155.db2.gz IKCOKSBPKXYRRX-ZBFHGGJFSA-N 1 3 342.484 -0.036 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160504834 831857957 /nfs/dbraw/zinc/85/79/57/831857957.db2.gz AOROCHPNEJYHMI-KBPBESRZSA-N 1 3 326.441 -0.317 20 0 EBADHO CN(CC1(C)COC1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160549594 831862076 /nfs/dbraw/zinc/86/20/76/831862076.db2.gz RCOLZIHXGDSWQZ-KBPBESRZSA-N 1 3 340.468 -0.071 20 0 EBADHO COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160595779 831869423 /nfs/dbraw/zinc/86/94/23/831869423.db2.gz ILPAXYVRGIWTQI-CHWSQXEVSA-N 1 3 325.409 -0.349 20 0 EBADHO COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160595779 831869427 /nfs/dbraw/zinc/86/94/27/831869427.db2.gz ILPAXYVRGIWTQI-CHWSQXEVSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCO1 ZINC001160597240 831869453 /nfs/dbraw/zinc/86/94/53/831869453.db2.gz RCXADDJDHZYXDE-CHWSQXEVSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCO1 ZINC001160597240 831869458 /nfs/dbraw/zinc/86/94/58/831869458.db2.gz RCXADDJDHZYXDE-CHWSQXEVSA-N 1 3 325.409 -0.349 20 0 EBADHO CN(C(=O)CN1CCN(C(=O)[C@H](N)CCC[NH3+])CC1)c1ccccc1 ZINC001160893820 831903768 /nfs/dbraw/zinc/90/37/68/831903768.db2.gz BQNBDGYORMCQLD-MRXNPFEDSA-N 1 3 347.463 -0.140 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC)N(C)C ZINC001160889123 831903780 /nfs/dbraw/zinc/90/37/80/831903780.db2.gz DUKKTKRUWYSCNQ-ZIAGYGMSSA-N 1 3 330.473 -0.036 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)COC1(C)C ZINC001161083833 831921119 /nfs/dbraw/zinc/92/11/19/831921119.db2.gz UOOLFLLVHXRBPU-FQUUOJAGSA-N 1 3 338.452 -0.150 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)COC1(C)C ZINC001161083833 831921126 /nfs/dbraw/zinc/92/11/26/831921126.db2.gz UOOLFLLVHXRBPU-FQUUOJAGSA-N 1 3 338.452 -0.150 20 0 EBADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161093457 831923377 /nfs/dbraw/zinc/92/33/77/831923377.db2.gz OOPJPTBFYURILL-CHWSQXEVSA-N 1 3 325.409 -0.349 20 0 EBADHO CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161093457 831923379 /nfs/dbraw/zinc/92/33/79/831923379.db2.gz OOPJPTBFYURILL-CHWSQXEVSA-N 1 3 325.409 -0.349 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC2)ncn1 ZINC001161093178 831923399 /nfs/dbraw/zinc/92/33/99/831923399.db2.gz JLBLCXMNPNHTAF-OAHLLOKOSA-N 1 3 334.424 -0.539 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161239098 831939271 /nfs/dbraw/zinc/93/92/71/831939271.db2.gz GPVLYAYIYZXTRC-NHYWBVRUSA-N 1 3 338.387 -0.787 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001161245152 831940495 /nfs/dbraw/zinc/94/04/95/831940495.db2.gz JHSJCIGJPVVYMM-UHFFFAOYSA-N 1 3 326.441 -0.038 20 0 EBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001161260311 831941802 /nfs/dbraw/zinc/94/18/02/831941802.db2.gz OGBRTQCPZSNKBO-IUODEOHRSA-N 1 3 344.481 -0.884 20 0 EBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)nc1 ZINC001161298201 831945344 /nfs/dbraw/zinc/94/53/44/831945344.db2.gz ILMXPAGCVKKLAJ-DGCLKSJQSA-N 1 3 333.392 -0.726 20 0 EBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413546 831955970 /nfs/dbraw/zinc/95/59/70/831955970.db2.gz QKXWCZANXLGPIR-DGAVXFQQSA-N 1 3 346.435 -0.490 20 0 EBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161450064 831958896 /nfs/dbraw/zinc/95/88/96/831958896.db2.gz ZJBYWWPOTQIDCH-UXXRCYHCSA-N 1 3 340.468 -0.740 20 0 EBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)Cc1cncn1C)CC2 ZINC001161476281 831962340 /nfs/dbraw/zinc/96/23/40/831962340.db2.gz CJITWBNNRQQUGP-ZENOOKHLSA-N 1 3 335.408 -0.957 20 0 EBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1[nH]nc3c1CNCC3)CC2 ZINC001161483983 831965013 /nfs/dbraw/zinc/96/50/13/831965013.db2.gz REQNPJNQGYDIRC-MLGOLLRUSA-N 1 3 333.392 -0.577 20 0 EBADHO N[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001161601682 831977158 /nfs/dbraw/zinc/97/71/58/831977158.db2.gz JSWQNZVPTYSJAW-RRFJBIMHSA-N 1 3 328.432 -0.416 20 0 EBADHO CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1=O ZINC001162872625 832069886 /nfs/dbraw/zinc/06/98/86/832069886.db2.gz YNLGMKUJPZMNJD-DLOXAQCQSA-N 1 3 336.436 -0.824 20 0 EBADHO CN1CCN(c2cc(NCc3nnc4n3CCC[NH2+]C4)ncn2)CC1 ZINC001163011470 832075503 /nfs/dbraw/zinc/07/55/03/832075503.db2.gz JMRHHPCVGSJTLA-UHFFFAOYSA-N 1 3 343.439 -0.075 20 0 EBADHO CS(=O)(=O)c1nc2c(c(-n3cnc4c3CNCC4)n1)CC[NH2+]CC2 ZINC001164310620 832183667 /nfs/dbraw/zinc/18/36/67/832183667.db2.gz WVYBRSMDGWPQAX-UHFFFAOYSA-N 1 3 348.432 -0.600 20 0 EBADHO CC(C)N1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001164539152 832195734 /nfs/dbraw/zinc/19/57/34/832195734.db2.gz TWZVSRULBCABNF-QWHCGFSZSA-N 1 3 339.444 -0.524 20 0 EBADHO C[C@H](NC(=O)CNCCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001165378249 832218503 /nfs/dbraw/zinc/21/85/03/832218503.db2.gz JFMVMSZGOIJQOC-ZDUSSCGKSA-N 1 3 343.472 -0.983 20 0 EBADHO O=C(NCCN1CC[C@@H](O)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001351606037 832258359 /nfs/dbraw/zinc/25/83/59/832258359.db2.gz HHVNFODXKFAYHH-CYBMUJFWSA-N 1 3 344.375 -0.611 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627436 832274373 /nfs/dbraw/zinc/27/43/73/832274373.db2.gz VTIOJLGIXCWZHX-VXGBXAGGSA-N 1 3 327.429 -0.589 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166634176 832276029 /nfs/dbraw/zinc/27/60/29/832276029.db2.gz PZJQGPJTBZZRMF-CQSZACIVSA-N 1 3 326.441 -0.575 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001166676897 832278705 /nfs/dbraw/zinc/27/87/05/832278705.db2.gz DTRSIHFSWLMJSG-CABCVRRESA-N 1 3 340.468 -0.329 20 0 EBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166676672 832279158 /nfs/dbraw/zinc/27/91/58/832279158.db2.gz AYGDKPNFJBTBES-GJZGRUSLSA-N 1 3 331.457 -0.552 20 0 EBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166676633 832279204 /nfs/dbraw/zinc/27/92/04/832279204.db2.gz ABRHYBNEVONZDB-HUUCEWRRSA-N 1 3 342.484 -0.035 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001166852759 832293782 /nfs/dbraw/zinc/29/37/82/832293782.db2.gz WGSKXZTVUBGPES-LBPRGKRZSA-N 1 3 327.429 -0.636 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)N(C)C ZINC001166858702 832294405 /nfs/dbraw/zinc/29/44/05/832294405.db2.gz XUUOOOSJAMKFTD-JTQLQIEISA-N 1 3 328.442 -0.087 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001168763958 832435923 /nfs/dbraw/zinc/43/59/23/832435923.db2.gz VNMYCHZFBOVURX-CYBMUJFWSA-N 1 3 343.472 -0.983 20 0 EBADHO C[NH+]1CCN(c2nc3ccccc3nc2-n2nnnc2CN)CC1 ZINC001168918675 832439818 /nfs/dbraw/zinc/43/98/18/832439818.db2.gz JUQVQXSCJMKALD-UHFFFAOYSA-N 1 3 325.380 -0.184 20 0 EBADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)C2 ZINC001169100043 832448394 /nfs/dbraw/zinc/44/83/94/832448394.db2.gz FEHOQMMPUOITOL-QDMKHBRRSA-N 1 3 330.498 -0.222 20 0 EBADHO C[NH+](C)CCOCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001354861287 832527740 /nfs/dbraw/zinc/52/77/40/832527740.db2.gz NROBWCJTCBTTDR-OAHLLOKOSA-N 1 3 340.468 -0.375 20 0 EBADHO C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001171873665 832577575 /nfs/dbraw/zinc/57/75/75/832577575.db2.gz TULJWTVQJKBILL-PEUXKQIOSA-N 1 3 338.452 -0.401 20 0 EBADHO O=C(C[NH2+]CCCNC(=O)CN1CCCC1)Nc1nncs1 ZINC001176102796 832657321 /nfs/dbraw/zinc/65/73/21/832657321.db2.gz LZCZVFHMIPCHLL-UHFFFAOYSA-N 1 3 326.426 -0.332 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001176972307 832722284 /nfs/dbraw/zinc/72/22/84/832722284.db2.gz VUXCAAWTFVYHIZ-AWEZNQCLSA-N 1 3 348.513 -0.296 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001176986283 832726013 /nfs/dbraw/zinc/72/60/13/832726013.db2.gz JNVYNFUUDXEBMO-HZPDHXFCSA-N 1 3 345.484 -0.021 20 0 EBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001176986284 832726219 /nfs/dbraw/zinc/72/62/19/832726219.db2.gz JNVYNFUUDXEBMO-JKSUJKDBSA-N 1 3 345.484 -0.021 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178357126 832853245 /nfs/dbraw/zinc/85/32/45/832853245.db2.gz WSOTYXVRMJSACM-SDDRHHMPSA-N 1 3 325.413 -0.885 20 0 EBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C)N(C)C ZINC001178985410 832938258 /nfs/dbraw/zinc/93/82/58/832938258.db2.gz IDZZBWAILLUASY-NOOOWODRSA-N 1 3 327.429 -0.511 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C)N(C)C ZINC001179553961 832988224 /nfs/dbraw/zinc/98/82/24/832988224.db2.gz IDZZBWAILLUASY-BJDJZHNGSA-N 1 3 327.429 -0.511 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106859 833900917 /nfs/dbraw/zinc/90/09/17/833900917.db2.gz OPWUITVHUBQRKF-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106859 833900919 /nfs/dbraw/zinc/90/09/19/833900919.db2.gz OPWUITVHUBQRKF-HUUCEWRRSA-N 1 3 340.468 -0.329 20 0 EBADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187121779 833903167 /nfs/dbraw/zinc/90/31/67/833903167.db2.gz LJHYYTVGRAGCJI-ZIAGYGMSSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115532 833903271 /nfs/dbraw/zinc/90/32/71/833903271.db2.gz KYSKTWSUBBMMIO-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122475 833904007 /nfs/dbraw/zinc/90/40/07/833904007.db2.gz UDMITYCHJNIKFN-CYBMUJFWSA-N 1 3 344.481 -0.788 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187127456 833905359 /nfs/dbraw/zinc/90/53/59/833905359.db2.gz UKTRWPZIRVQVPC-VXGBXAGGSA-N 1 3 337.424 -0.883 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187240839 833912530 /nfs/dbraw/zinc/91/25/30/833912530.db2.gz OOBLPXWLCGQEDR-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001187321964 833919582 /nfs/dbraw/zinc/91/95/82/833919582.db2.gz JVMPTYQLKQTNFO-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319470 835536905 /nfs/dbraw/zinc/53/69/05/835536905.db2.gz IXIODJMMWVOPNJ-HUUCEWRRSA-N 1 3 329.441 -0.705 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197536652 835574752 /nfs/dbraw/zinc/57/47/52/835574752.db2.gz YNVXYRINXCKLKI-RRFJBIMHSA-N 1 3 340.468 -0.594 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197536652 835574764 /nfs/dbraw/zinc/57/47/64/835574764.db2.gz YNVXYRINXCKLKI-RRFJBIMHSA-N 1 3 340.468 -0.594 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/nfs/dbraw/zinc/31/52/80/837315280.db2.gz OCXSGOACYITEFF-VXGBXAGGSA-N 1 3 325.413 -0.896 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001210674156 837315293 /nfs/dbraw/zinc/31/52/93/837315293.db2.gz OCXSGOACYITEFF-VXGBXAGGSA-N 1 3 325.413 -0.896 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001210810895 837332514 /nfs/dbraw/zinc/33/25/14/837332514.db2.gz GQJPIWZLGAEDGH-VXGBXAGGSA-N 1 3 327.429 -0.508 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210810827 837334345 /nfs/dbraw/zinc/33/43/45/837334345.db2.gz DVYVYWJKMRXUEP-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210810670 837334507 /nfs/dbraw/zinc/33/45/07/837334507.db2.gz CCXBHWPRMADGGZ-ZDUSSCGKSA-N 1 3 339.440 -0.539 20 0 EBADHO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)Cc1c[nH]cn1 ZINC001319536941 838146275 /nfs/dbraw/zinc/14/62/75/838146275.db2.gz ATUSJAAIGUZVKL-LLVKDONJSA-N 1 3 336.396 -0.669 20 0 EBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001319716606 838171282 /nfs/dbraw/zinc/17/12/82/838171282.db2.gz IOLFSIWPHFJDFZ-HUUCEWRRSA-N 1 3 337.468 -0.114 20 0 EBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1)N1CCCCC1 ZINC001320218571 838713687 /nfs/dbraw/zinc/71/36/87/838713687.db2.gz UBQHGCVWKJSYCY-AWEZNQCLSA-N 1 3 338.456 -0.391 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321394084 838981714 /nfs/dbraw/zinc/98/17/14/838981714.db2.gz VJWCBASNYSHTJE-AAAGKOELSA-N 1 3 339.440 -0.566 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001321394084 838981719 /nfs/dbraw/zinc/98/17/19/838981719.db2.gz VJWCBASNYSHTJE-AAAGKOELSA-N 1 3 339.440 -0.566 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001321841474 839085066 /nfs/dbraw/zinc/08/50/66/839085066.db2.gz AOURYRREIZNQTM-KBPBESRZSA-N 1 3 325.457 -0.021 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC001323542353 839467790 /nfs/dbraw/zinc/46/77/90/839467790.db2.gz OKSUVNUGLBPBMG-ZDUSSCGKSA-N 1 3 344.456 -0.794 20 0 EBADHO CC(C)N(C)C(=O)CNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001326085591 840027215 /nfs/dbraw/zinc/02/72/15/840027215.db2.gz GNFNREAIXZBNPE-UHFFFAOYSA-N 1 3 342.484 -0.395 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001326560235 840135632 /nfs/dbraw/zinc/13/56/32/840135632.db2.gz HITRCIAYHWZSBI-KKUMJFAQSA-N 1 3 340.468 -0.249 20 0 EBADHO CN(CCCN(C)[C@@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001327258936 840344674 /nfs/dbraw/zinc/34/46/74/840344674.db2.gz WVPDMLBIAAHCGG-CQSZACIVSA-N 1 3 338.452 -0.086 20 0 EBADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001327534097 840446415 /nfs/dbraw/zinc/44/64/15/840446415.db2.gz YNWGVALNQSHOSG-PBHICJAKSA-N 1 3 338.452 -0.447 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC001327669897 840489471 /nfs/dbraw/zinc/48/94/71/840489471.db2.gz AIBDQFYAHOZPNI-RHSMWYFYSA-N 1 3 340.468 -0.567 20 0 EBADHO [NH3+]CCCCCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327846333 840533128 /nfs/dbraw/zinc/53/31/28/840533128.db2.gz IHOQYBKXPJMNLP-OAHLLOKOSA-N 1 3 340.468 -0.009 20 0 EBADHO CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCN(C)CC1 ZINC001327976875 840562199 /nfs/dbraw/zinc/56/21/99/840562199.db2.gz AZWIICIPYGXRPN-ZWKOTPCHSA-N 1 3 341.544 -0.544 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001329345576 840897791 /nfs/dbraw/zinc/89/77/91/840897791.db2.gz OFQDWUNASPEGOU-OKILXGFUSA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330568290 841238130 /nfs/dbraw/zinc/23/81/30/841238130.db2.gz SAIFIFHYKSQHGX-KBPBESRZSA-N 1 3 337.468 -0.827 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331104148 841336333 /nfs/dbraw/zinc/33/63/33/841336333.db2.gz QBSAKQGWUFQEOV-OCCSQVGLSA-N 1 3 326.441 -0.401 20 0 EBADHO CCOCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001332045037 841558198 /nfs/dbraw/zinc/55/81/98/841558198.db2.gz CAKULTQSDFMMLO-HUUCEWRRSA-N 1 3 340.468 -0.186 20 0 EBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333180162 841814949 /nfs/dbraw/zinc/81/49/49/841814949.db2.gz YDTLKFBEYFLNEL-LBPRGKRZSA-N 1 3 328.457 -0.155 20 0 EBADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001335214580 842227719 /nfs/dbraw/zinc/22/77/19/842227719.db2.gz AIPMABYEGZJGNP-DZGCQCFKSA-N 1 3 338.452 -0.447 20 0 EBADHO C[N@@H+]1CC[C@](O)(CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001336003558 842381693 /nfs/dbraw/zinc/38/16/93/842381693.db2.gz WEAMPOVEBUVDTH-PXAZEXFGSA-N 1 3 333.388 -0.700 20 0 EBADHO C[N@H+]1CC[C@](O)(CNC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001336003558 842381706 /nfs/dbraw/zinc/38/17/06/842381706.db2.gz WEAMPOVEBUVDTH-PXAZEXFGSA-N 1 3 333.388 -0.700 20 0 EBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001340075169 842967902 /nfs/dbraw/zinc/96/79/02/842967902.db2.gz MZGXVQHPZNAIAV-MJBXVCDLSA-N 1 3 328.457 -0.738 20 0 EBADHO CCN(CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001341516735 843095523 /nfs/dbraw/zinc/09/55/23/843095523.db2.gz TZGXHABSRRUCQV-MCIONIFRSA-N 1 3 331.482 -0.143 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001342462222 843163584 /nfs/dbraw/zinc/16/35/84/843163584.db2.gz RPZKOQSVVUEHTK-CQSZACIVSA-N 1 3 340.468 -0.377 20 0 EBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC001343313508 843219038 /nfs/dbraw/zinc/21/90/38/843219038.db2.gz YTDGNTBBLGIRGM-GJZGRUSLSA-N 1 3 342.484 -0.131 20 0 EBADHO COCCN1CCC(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343395919 843233557 /nfs/dbraw/zinc/23/35/57/843233557.db2.gz WGHLHQHUVMBDPW-CQSZACIVSA-N 1 3 326.441 -0.589 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001691184535 1125841582 /nfs/dbraw/zinc/84/15/82/1125841582.db2.gz OXFKQUVOXXGORQ-JOCQHMNTSA-N 1 3 339.440 -0.637 20 0 EBADHO CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1C ZINC001481215463 1125945180 /nfs/dbraw/zinc/94/51/80/1125945180.db2.gz JNGPMPGCECIAKK-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CCCCN1C ZINC001481247098 1125952418 /nfs/dbraw/zinc/95/24/18/1125952418.db2.gz HQFTVCKLUCLLQK-CQSZACIVSA-N 1 3 346.497 -0.446 20 0 EBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001481299358 1125968735 /nfs/dbraw/zinc/96/87/35/1125968735.db2.gz SHTJYSBEUVHJFG-CQSZACIVSA-N 1 3 326.441 -0.624 20 0 EBADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001481820829 1126059028 /nfs/dbraw/zinc/05/90/28/1126059028.db2.gz JWWPZYLCKIURRG-NWDGAFQWSA-N 1 3 327.429 -0.460 20 0 EBADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001481820829 1126059029 /nfs/dbraw/zinc/05/90/29/1126059029.db2.gz JWWPZYLCKIURRG-NWDGAFQWSA-N 1 3 327.429 -0.460 20 0 EBADHO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001482290661 1126120577 /nfs/dbraw/zinc/12/05/77/1126120577.db2.gz ATEMCUYUTXCPOK-LBPRGKRZSA-N 1 3 339.440 -0.541 20 0 EBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001648970727 1126184911 /nfs/dbraw/zinc/18/49/11/1126184911.db2.gz VUPKPLJOGQNWDY-NFAWXSAZSA-N 1 3 326.441 -0.545 20 0 EBADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)NC(N)=O ZINC001482495773 1126185068 /nfs/dbraw/zinc/18/50/68/1126185068.db2.gz RJLXMSRFGSIWGL-RYUDHWBXSA-N 1 3 327.429 -0.650 20 0 EBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C(C)C ZINC001482565611 1126198246 /nfs/dbraw/zinc/19/82/46/1126198246.db2.gz JGIVAIRHVMGJKM-OLZOCXBDSA-N 1 3 326.441 -0.136 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001482737960 1126272294 /nfs/dbraw/zinc/27/22/94/1126272294.db2.gz WVENMJIOCRZBOZ-AWEZNQCLSA-N 1 3 326.441 -0.840 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001482838993 1126297038 /nfs/dbraw/zinc/29/70/38/1126297038.db2.gz HMWPKFPSPWWABT-LBPRGKRZSA-N 1 3 341.456 -0.199 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001483185733 1126351555 /nfs/dbraw/zinc/35/15/55/1126351555.db2.gz TVIBUBGUWOKXKA-KGLIPLIRSA-N 1 3 328.457 -0.330 20 0 EBADHO C[NH+]1CCC(CC(=O)N[C@H](CNCC(=O)NC(N)=O)C2CC2)CC1 ZINC001483591152 1126437923 /nfs/dbraw/zinc/43/79/23/1126437923.db2.gz ACBFYUQIECYAHN-CYBMUJFWSA-N 1 3 339.440 -0.602 20 0 EBADHO CN1CC[C@H](NCCN(CCO)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001484485438 1126595268 /nfs/dbraw/zinc/59/52/68/1126595268.db2.gz JVWSKTLQPMZHJS-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO CN1CC[C@H](NCCN(CCO)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001484485438 1126595269 /nfs/dbraw/zinc/59/52/69/1126595269.db2.gz JVWSKTLQPMZHJS-CABCVRRESA-N 1 3 340.468 -0.498 20 0 EBADHO C[NH+]1CCC(CC(=O)N(CCO)CCN[C@H]2CCCNC2=O)CC1 ZINC001484495366 1126597471 /nfs/dbraw/zinc/59/74/71/1126597471.db2.gz KKOAMPYSCUIOCI-HNNXBMFYSA-N 1 3 340.468 -0.593 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513145 1126600557 /nfs/dbraw/zinc/60/05/57/1126600557.db2.gz MEIBMNTVFBRYMY-UONOGXRCSA-N 1 3 331.482 -0.047 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692906 1126620024 /nfs/dbraw/zinc/62/00/24/1126620024.db2.gz PWWCQZYBANAULA-HUUCEWRRSA-N 1 3 336.440 -0.563 20 0 EBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484682827 1126620842 /nfs/dbraw/zinc/62/08/42/1126620842.db2.gz VVEPOHRUCFNBBF-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484682827 1126620844 /nfs/dbraw/zinc/62/08/44/1126620844.db2.gz VVEPOHRUCFNBBF-ZIAGYGMSSA-N 1 3 326.441 -0.591 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484683195 1126620971 /nfs/dbraw/zinc/62/09/71/1126620971.db2.gz APHYGZSLPJKEIJ-HNNXBMFYSA-N 1 3 348.447 -0.293 20 0 EBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N(C)CC)C1 ZINC001484696924 1126624983 /nfs/dbraw/zinc/62/49/83/1126624983.db2.gz QXTIPPCCLPRVDO-AWEZNQCLSA-N 1 3 328.457 -0.377 20 0 EBADHO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCOCC1 ZINC001484868255 1126648655 /nfs/dbraw/zinc/64/86/55/1126648655.db2.gz GOLGDNZVHCAUIQ-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO O=C(C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1)N1CCC1 ZINC001484964163 1126657014 /nfs/dbraw/zinc/65/70/14/1126657014.db2.gz FHDXZEOGAWOHBH-UHFFFAOYSA-N 1 3 338.452 -0.742 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001484954858 1126658427 /nfs/dbraw/zinc/65/84/27/1126658427.db2.gz VWDRFXCWJISJCE-CYBMUJFWSA-N 1 3 340.468 -0.452 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001485349363 1126692003 /nfs/dbraw/zinc/69/20/03/1126692003.db2.gz KANNFSFKCGBLJC-TZMCWYRMSA-N 1 3 341.456 -0.439 20 0 EBADHO CCCC[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485463991 1126720000 /nfs/dbraw/zinc/72/00/00/1126720000.db2.gz RTLAMRLSAOFKBL-FRRDWIJNSA-N 1 3 341.456 -0.214 20 0 EBADHO CCCC[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485463991 1126720004 /nfs/dbraw/zinc/72/00/04/1126720004.db2.gz RTLAMRLSAOFKBL-FRRDWIJNSA-N 1 3 341.456 -0.214 20 0 EBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648468 1126776983 /nfs/dbraw/zinc/77/69/83/1126776983.db2.gz AJDVNBBEIGRRPS-CABCVRRESA-N 1 3 338.456 -0.176 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCCS(C)(=O)=O)C1 ZINC001485645394 1126788830 /nfs/dbraw/zinc/78/88/30/1126788830.db2.gz FISJPTOFQPXGRS-UONOGXRCSA-N 1 3 349.497 -0.422 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCCS(C)(=O)=O)C1 ZINC001485645394 1126788834 /nfs/dbraw/zinc/78/88/34/1126788834.db2.gz FISJPTOFQPXGRS-UONOGXRCSA-N 1 3 349.497 -0.422 20 0 EBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001486135595 1127044886 /nfs/dbraw/zinc/04/48/86/1127044886.db2.gz QNYKAMWUGMIPNW-ZIAGYGMSSA-N 1 3 348.513 -0.203 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219181 1127063582 /nfs/dbraw/zinc/06/35/82/1127063582.db2.gz RNFQUNDKNGYFQR-CHWSQXEVSA-N 1 3 341.456 -0.342 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280844 1127077460 /nfs/dbraw/zinc/07/74/60/1127077460.db2.gz JQAITBOSOXGIKC-HUUCEWRRSA-N 1 3 340.468 -0.452 20 0 EBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001486280844 1127077463 /nfs/dbraw/zinc/07/74/63/1127077463.db2.gz JQAITBOSOXGIKC-HUUCEWRRSA-N 1 3 340.468 -0.452 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001486281808 1127078193 /nfs/dbraw/zinc/07/81/93/1127078193.db2.gz VHKGNTIDJONZIQ-CHWSQXEVSA-N 1 3 326.441 -0.842 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@H](CNCC(=O)NC(=O)NC)C(C)(C)C ZINC001486415507 1127172625 /nfs/dbraw/zinc/17/26/25/1127172625.db2.gz FQKOHIUGLGXCIP-GFCCVEGCSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@H](CNCC(=O)NC(=O)NC)C(C)(C)C ZINC001486415507 1127172629 /nfs/dbraw/zinc/17/26/29/1127172629.db2.gz FQKOHIUGLGXCIP-GFCCVEGCSA-N 1 3 343.472 -0.096 20 0 EBADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392587 1127699601 /nfs/dbraw/zinc/69/96/01/1127699601.db2.gz ZSXCJAFGBRUHPC-STQMWFEESA-N 1 3 338.456 -0.371 20 0 EBADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001410430325 1127712413 /nfs/dbraw/zinc/71/24/13/1127712413.db2.gz XQLGISKLRHNODS-DZGCQCFKSA-N 1 3 340.468 -0.188 20 0 EBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCOCC1 ZINC001410446821 1127717304 /nfs/dbraw/zinc/71/73/04/1127717304.db2.gz GQYOGOGYCWVQJH-AWEZNQCLSA-N 1 3 340.468 -0.377 20 0 EBADHO CN1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC001410713845 1127833943 /nfs/dbraw/zinc/83/39/43/1127833943.db2.gz UDUDWPONUJXVPQ-CABCVRRESA-N 1 3 340.468 -0.450 20 0 EBADHO Cc1nc(C)n(CCN[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001410758989 1127870386 /nfs/dbraw/zinc/87/03/86/1127870386.db2.gz XFRRFXACAXSGTM-HUUCEWRRSA-N 1 3 338.456 -0.697 20 0 EBADHO Cc1nc(C)n(CCN[C@@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001410758989 1127870391 /nfs/dbraw/zinc/87/03/91/1127870391.db2.gz XFRRFXACAXSGTM-HUUCEWRRSA-N 1 3 338.456 -0.697 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001410873472 1127925141 /nfs/dbraw/zinc/92/51/41/1127925141.db2.gz VKJZSZILFHXVLD-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975140 1127957426 /nfs/dbraw/zinc/95/74/26/1127957426.db2.gz HHOGYOCQJBGCOJ-MNOVXSKESA-N 1 3 327.429 -0.652 20 0 EBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C(F)(F)F ZINC001410998226 1127967207 /nfs/dbraw/zinc/96/72/07/1127967207.db2.gz APPCQCKKKKWGAJ-KOLCDFICSA-N 1 3 347.341 -0.075 20 0 EBADHO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001411051232 1127988202 /nfs/dbraw/zinc/98/82/02/1127988202.db2.gz ZZMAFRQKWWHIIN-OCCSQVGLSA-N 1 3 340.468 -0.453 20 0 EBADHO CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001411113129 1128020282 /nfs/dbraw/zinc/02/02/82/1128020282.db2.gz WRKLOVKWHQFXKQ-HNNXBMFYSA-N 1 3 340.468 -0.594 20 0 EBADHO CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122194 1128024082 /nfs/dbraw/zinc/02/40/82/1128024082.db2.gz GVQCYLBEURKTPB-GJZGRUSLSA-N 1 3 340.468 -0.498 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001411147328 1128040670 /nfs/dbraw/zinc/04/06/70/1128040670.db2.gz PBNPXRYPUPHPRU-UONOGXRCSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001411147328 1128040677 /nfs/dbraw/zinc/04/06/77/1128040677.db2.gz PBNPXRYPUPHPRU-UONOGXRCSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@]12CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CCO)C2 ZINC001091867845 1128162315 /nfs/dbraw/zinc/16/23/15/1128162315.db2.gz CKWWSGFHGPMVGC-KFHUCXJESA-N 1 3 335.448 -0.378 20 0 EBADHO C[C@]12CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091867845 1128162316 /nfs/dbraw/zinc/16/23/16/1128162316.db2.gz CKWWSGFHGPMVGC-KFHUCXJESA-N 1 3 335.448 -0.378 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091952276 1128171683 /nfs/dbraw/zinc/17/16/83/1128171683.db2.gz GSSPJZIQJIZZLT-KEYYUXOJSA-N 1 3 338.452 -0.639 20 0 EBADHO CC(C)N1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091952276 1128171685 /nfs/dbraw/zinc/17/16/85/1128171685.db2.gz GSSPJZIQJIZZLT-KEYYUXOJSA-N 1 3 338.452 -0.639 20 0 EBADHO CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1=O ZINC001092049654 1128179881 /nfs/dbraw/zinc/17/98/81/1128179881.db2.gz FHXZLZDDDWELQD-IFIJOSMWSA-N 1 3 331.420 -0.037 20 0 EBADHO CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1=O ZINC001092049654 1128179882 /nfs/dbraw/zinc/17/98/82/1128179882.db2.gz FHXZLZDDDWELQD-IFIJOSMWSA-N 1 3 331.420 -0.037 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001488383176 1128760205 /nfs/dbraw/zinc/76/02/05/1128760205.db2.gz QOIKTLNDVPJCTL-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001488383176 1128760208 /nfs/dbraw/zinc/76/02/08/1128760208.db2.gz QOIKTLNDVPJCTL-HUUCEWRRSA-N 1 3 342.484 -0.396 20 0 EBADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](OCC)C1 ZINC001489009049 1128898164 /nfs/dbraw/zinc/89/81/64/1128898164.db2.gz BKTCRMFPBHZJAF-RBSFLKMASA-N 1 3 340.468 -0.201 20 0 EBADHO CO[C@@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001489080002 1128908012 /nfs/dbraw/zinc/90/80/12/1128908012.db2.gz BUCPWGUEQUNNNR-NWDGAFQWSA-N 1 3 337.424 -0.125 20 0 EBADHO CO[C@@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001489080002 1128908014 /nfs/dbraw/zinc/90/80/14/1128908014.db2.gz BUCPWGUEQUNNNR-NWDGAFQWSA-N 1 3 337.424 -0.125 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001412867924 1129744865 /nfs/dbraw/zinc/74/48/65/1129744865.db2.gz AJTAOCATBLKZFG-CABCVRRESA-N 1 3 342.484 -0.492 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937663 1129792906 /nfs/dbraw/zinc/79/29/06/1129792906.db2.gz OJGAAVXZGJTNIF-UONOGXRCSA-N 1 3 340.468 -0.594 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001412937663 1129792910 /nfs/dbraw/zinc/79/29/10/1129792910.db2.gz OJGAAVXZGJTNIF-UONOGXRCSA-N 1 3 340.468 -0.594 20 0 EBADHO C[C@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)N1CCCCCC1 ZINC001412964253 1129821286 /nfs/dbraw/zinc/82/12/86/1129821286.db2.gz FBPOKCIQBFXQKZ-CABCVRRESA-N 1 3 342.484 -0.204 20 0 EBADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001490957550 1130273231 /nfs/dbraw/zinc/27/32/31/1130273231.db2.gz VDNZSWCWZYNTLS-MGPQQGTHSA-N 1 3 336.440 -0.480 20 0 EBADHO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@H](OC)C1 ZINC001213127278 1130520167 /nfs/dbraw/zinc/52/01/67/1130520167.db2.gz RLGGFDGKDHJHNO-BZUAXINKSA-N 1 3 348.403 -0.229 20 0 EBADHO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@H](OC)C1 ZINC001213127278 1130520170 /nfs/dbraw/zinc/52/01/70/1130520170.db2.gz RLGGFDGKDHJHNO-BZUAXINKSA-N 1 3 348.403 -0.229 20 0 EBADHO COC[C@H](O)CN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127278 1130520175 /nfs/dbraw/zinc/52/01/75/1130520175.db2.gz RLGGFDGKDHJHNO-BZUAXINKSA-N 1 3 348.403 -0.229 20 0 EBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)N(C)C ZINC001366061153 1132986239 /nfs/dbraw/zinc/98/62/39/1132986239.db2.gz LGOPKQWYNYNSDJ-HUUCEWRRSA-N 1 3 340.468 -0.330 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366089818 1132997186 /nfs/dbraw/zinc/99/71/86/1132997186.db2.gz CWUJKEXONFILBL-NWDGAFQWSA-N 1 3 345.419 -0.688 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001366092764 1132999869 /nfs/dbraw/zinc/99/98/69/1132999869.db2.gz WPQCIINTONAIAB-KKUMJFAQSA-N 1 3 338.452 -0.746 20 0 EBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001366095716 1133001435 /nfs/dbraw/zinc/00/14/35/1133001435.db2.gz QNDJJHYIHMDYKK-STQMWFEESA-N 1 3 336.440 -0.617 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001366102406 1133005951 /nfs/dbraw/zinc/00/59/51/1133005951.db2.gz LJRVGVXZJLEHJV-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001366102406 1133005958 /nfs/dbraw/zinc/00/59/58/1133005958.db2.gz LJRVGVXZJLEHJV-ZDUSSCGKSA-N 1 3 341.456 -0.246 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366147024 1133026794 /nfs/dbraw/zinc/02/67/94/1133026794.db2.gz OJFUYEBDUXNRAP-GRYCIOLGSA-N 1 3 345.419 -0.641 20 0 EBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366287330 1133085076 /nfs/dbraw/zinc/08/50/76/1133085076.db2.gz NUJFUOYWCJEBAM-KGLIPLIRSA-N 1 3 340.468 -0.140 20 0 EBADHO C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336588 1133103351 /nfs/dbraw/zinc/10/33/51/1133103351.db2.gz OHZVQJHNJCAYJG-BMIGLBTASA-N 1 3 345.419 -0.512 20 0 EBADHO C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(=O)NC(N)=O ZINC001366336588 1133103354 /nfs/dbraw/zinc/10/33/54/1133103354.db2.gz OHZVQJHNJCAYJG-BMIGLBTASA-N 1 3 345.419 -0.512 20 0 EBADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001366346490 1133106901 /nfs/dbraw/zinc/10/69/01/1133106901.db2.gz MUSJLXZACWGVHC-ZIAGYGMSSA-N 1 3 348.513 -0.298 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001366365724 1133113752 /nfs/dbraw/zinc/11/37/52/1133113752.db2.gz KUYLHPUGZWRKCV-KGLIPLIRSA-N 1 3 348.513 -0.298 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366375732 1133117335 /nfs/dbraw/zinc/11/73/35/1133117335.db2.gz AKOICZJVZVVFGP-GJZGRUSLSA-N 1 3 338.452 -0.434 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366387388 1133125005 /nfs/dbraw/zinc/12/50/05/1133125005.db2.gz CMNFAQOGDJASAZ-OLZOCXBDSA-N 1 3 341.456 -0.249 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001366398463 1133130630 /nfs/dbraw/zinc/13/06/30/1133130630.db2.gz WUKNPINGYKPODU-LBPRGKRZSA-N 1 3 341.456 -0.390 20 0 EBADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703985 1133262856 /nfs/dbraw/zinc/26/28/56/1133262856.db2.gz DITOPHYYTMJMCX-HIFRSBDPSA-N 1 3 340.468 -0.201 20 0 EBADHO CCN1CC[C@@H](NCCN(C)C(=O)COC2CC[NH+](C)CC2)C1=O ZINC001366768165 1133289686 /nfs/dbraw/zinc/28/96/86/1133289686.db2.gz ISBFHKHEAPNPLU-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@H](C(=O)NC(N)=O)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830753 1133309067 /nfs/dbraw/zinc/30/90/67/1133309067.db2.gz AFLMJLGIVMRYJT-OLZOCXBDSA-N 1 3 341.456 -0.260 20 0 EBADHO C[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001367390510 1133575557 /nfs/dbraw/zinc/57/55/57/1133575557.db2.gz ZCRNIJCOONXNMS-QWHCGFSZSA-N 1 3 341.456 -0.118 20 0 EBADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1)C(=O)NC(N)=O ZINC001367397414 1133577980 /nfs/dbraw/zinc/57/79/80/1133577980.db2.gz PELODQTVGPICTN-QWHCGFSZSA-N 1 3 341.456 -0.262 20 0 EBADHO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367585701 1133655647 /nfs/dbraw/zinc/65/56/47/1133655647.db2.gz URRCZSRUCLMIBY-CQSZACIVSA-N 1 3 342.484 -0.204 20 0 EBADHO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001367589960 1133660799 /nfs/dbraw/zinc/66/07/99/1133660799.db2.gz CBVPFHHZNCJIGS-OLZOCXBDSA-N 1 3 326.441 -0.842 20 0 EBADHO CC(C)N1CC[C@H](NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600918 1133677749 /nfs/dbraw/zinc/67/77/49/1133677749.db2.gz LZDBXWMRAVTEKL-KGLIPLIRSA-N 1 3 340.468 -0.596 20 0 EBADHO CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001367622045 1133707104 /nfs/dbraw/zinc/70/71/04/1133707104.db2.gz QWGNEXBQFFJNLW-OAHLLOKOSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367713045 1133756325 /nfs/dbraw/zinc/75/63/25/1133756325.db2.gz UFHFMOLBNXKNSS-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367713045 1133756329 /nfs/dbraw/zinc/75/63/29/1133756329.db2.gz UFHFMOLBNXKNSS-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001367737260 1133765477 /nfs/dbraw/zinc/76/54/77/1133765477.db2.gz KJAXANSIPARTCW-NSHDSACASA-N 1 3 325.413 -0.848 20 0 EBADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001367754867 1133772738 /nfs/dbraw/zinc/77/27/38/1133772738.db2.gz GSRROFFJGFLEKQ-OFQRWUPVSA-N 1 3 342.484 -0.086 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC1CCOCC1)[NH+](C)C ZINC001367767031 1133776875 /nfs/dbraw/zinc/77/68/75/1133776875.db2.gz YZIIODBDZGSMTN-BBRMVZONSA-N 1 3 342.484 -0.038 20 0 EBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001367766499 1133777403 /nfs/dbraw/zinc/77/74/03/1133777403.db2.gz RNUAEUNDAQLTPH-LBPRGKRZSA-N 1 3 339.440 -0.980 20 0 EBADHO C[C@@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906056 1133833928 /nfs/dbraw/zinc/83/39/28/1133833928.db2.gz ABOOLWUWXFQRMH-MFKMUULPSA-N 1 3 339.440 -0.604 20 0 EBADHO COCCN1CC[C@](O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001368246863 1134020869 /nfs/dbraw/zinc/02/08/69/1134020869.db2.gz OGGPCGPJMVZSGI-INIZCTEOSA-N 1 3 339.440 -0.742 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001368399427 1134204917 /nfs/dbraw/zinc/20/49/17/1134204917.db2.gz RNKCEJNDVJMXLX-KKUMJFAQSA-N 1 3 340.468 -0.642 20 0 EBADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001368399427 1134204924 /nfs/dbraw/zinc/20/49/24/1134204924.db2.gz RNKCEJNDVJMXLX-KKUMJFAQSA-N 1 3 340.468 -0.642 20 0 EBADHO NC(=O)NC(=O)CNC1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001368480389 1134247540 /nfs/dbraw/zinc/24/75/40/1134247540.db2.gz WMBOSEXFPQKJRG-UHFFFAOYSA-N 1 3 337.424 -0.562 20 0 EBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523272 1134273511 /nfs/dbraw/zinc/27/35/11/1134273511.db2.gz XLSRKVKNAIVBGF-CABCVRRESA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001368563246 1134291592 /nfs/dbraw/zinc/29/15/92/1134291592.db2.gz AMCIXKJYVMPYEJ-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001368563246 1134291597 /nfs/dbraw/zinc/29/15/97/1134291597.db2.gz AMCIXKJYVMPYEJ-CABCVRRESA-N 1 3 340.468 -0.188 20 0 EBADHO CCNC(=O)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001368635528 1134348217 /nfs/dbraw/zinc/34/82/17/1134348217.db2.gz YXTHOMINWVMMAQ-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO COCCN1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001368760796 1134423292 /nfs/dbraw/zinc/42/32/92/1134423292.db2.gz LSPIBCXUUHUJDX-HNNXBMFYSA-N 1 3 325.453 -0.082 20 0 EBADHO COCCN1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001368760802 1134423735 /nfs/dbraw/zinc/42/37/35/1134423735.db2.gz LSPIBCXUUHUJDX-OAHLLOKOSA-N 1 3 325.453 -0.082 20 0 EBADHO COC[C@@H](O)CN1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001368773213 1134434360 /nfs/dbraw/zinc/43/43/60/1134434360.db2.gz SZOFAKJULPUNEL-AWEZNQCLSA-N 1 3 341.452 -0.967 20 0 EBADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001368822540 1134455918 /nfs/dbraw/zinc/45/59/18/1134455918.db2.gz MTIXQBWGVBCNSY-XIVSLSHWSA-N 1 3 327.429 -0.748 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001369146681 1134591260 /nfs/dbraw/zinc/59/12/60/1134591260.db2.gz HERFLVHBSVNRSG-VQHPVUNQSA-N 1 3 349.479 -0.122 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001369146681 1134591266 /nfs/dbraw/zinc/59/12/66/1134591266.db2.gz HERFLVHBSVNRSG-VQHPVUNQSA-N 1 3 349.479 -0.122 20 0 EBADHO C[C@H](NCC(=O)NC1CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369149412 1134593577 /nfs/dbraw/zinc/59/35/77/1134593577.db2.gz LBTBAKJODSGFFN-JSGCOSHPSA-N 1 3 326.441 -0.578 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001369183591 1134609696 /nfs/dbraw/zinc/60/96/96/1134609696.db2.gz ZLQHGHCLEWUGJO-FIQHERPVSA-N 1 3 327.429 -0.606 20 0 EBADHO C[C@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001369184256 1134609704 /nfs/dbraw/zinc/60/97/04/1134609704.db2.gz DLFJNESDGUXYOW-GFCCVEGCSA-N 1 3 339.440 -0.412 20 0 EBADHO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001369184256 1134609707 /nfs/dbraw/zinc/60/97/07/1134609707.db2.gz DLFJNESDGUXYOW-GFCCVEGCSA-N 1 3 339.440 -0.412 20 0 EBADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241819 1134626462 /nfs/dbraw/zinc/62/64/62/1134626462.db2.gz VMUXBPMOIGWWGE-UONOGXRCSA-N 1 3 326.441 -0.624 20 0 EBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001369250857 1134629198 /nfs/dbraw/zinc/62/91/98/1134629198.db2.gz OFJSRZHHIHXWBE-ZDUSSCGKSA-N 1 3 325.457 -0.068 20 0 EBADHO C[C@H](N[C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361167 1134712788 /nfs/dbraw/zinc/71/27/88/1134712788.db2.gz KKIAPPDSYIGHDA-UONOGXRCSA-N 1 3 328.457 -0.738 20 0 EBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)NCc1cncs1 ZINC001369381094 1134742711 /nfs/dbraw/zinc/74/27/11/1134742711.db2.gz ITADAKRHIXTEMY-OLZOCXBDSA-N 1 3 342.465 -0.322 20 0 EBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369467183 1134812863 /nfs/dbraw/zinc/81/28/63/1134812863.db2.gz LJVHWVRPSJFFKK-IRXDYDNUSA-N 1 3 349.479 -0.021 20 0 EBADHO CN(C[C@H](O)CNCC(=O)N1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001369479565 1134844778 /nfs/dbraw/zinc/84/47/78/1134844778.db2.gz CCQKTPUPRBVKJI-CQSZACIVSA-N 1 3 340.468 -0.641 20 0 EBADHO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001369490259 1134864063 /nfs/dbraw/zinc/86/40/63/1134864063.db2.gz OTLNDJZZDILRKU-DOMZBBRYSA-N 1 3 336.436 -0.356 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001370545035 1135403095 /nfs/dbraw/zinc/40/30/95/1135403095.db2.gz DJNJOWQAMFNUFG-FIQHERPVSA-N 1 3 327.429 -0.607 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001370857705 1135674010 /nfs/dbraw/zinc/67/40/10/1135674010.db2.gz YLZQVVDVQJVDLS-CHWSQXEVSA-N 1 3 341.456 -0.390 20 0 EBADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001371008675 1135768025 /nfs/dbraw/zinc/76/80/25/1135768025.db2.gz BYBOENPHMORFDJ-ARKGTOAJSA-N 1 3 325.453 -0.086 20 0 EBADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001371008675 1135768027 /nfs/dbraw/zinc/76/80/27/1135768027.db2.gz BYBOENPHMORFDJ-ARKGTOAJSA-N 1 3 325.453 -0.086 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371215048 1135866186 /nfs/dbraw/zinc/86/61/86/1135866186.db2.gz WLKHSESHQWRVGI-YPMHNXCESA-N 1 3 329.445 -0.487 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001371618714 1135986170 /nfs/dbraw/zinc/98/61/70/1135986170.db2.gz OGSKHEOOJUWREI-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001371768572 1136017202 /nfs/dbraw/zinc/01/72/02/1136017202.db2.gz GUFHPNODRLQDIU-YPMHNXCESA-N 1 3 329.445 -0.487 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCCN(C[C@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897271 1136318149 /nfs/dbraw/zinc/31/81/49/1136318149.db2.gz PVUCPPHPRMYIQL-HOCLYGCPSA-N 1 3 335.452 -0.224 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCCN(C[C@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897271 1136318153 /nfs/dbraw/zinc/31/81/53/1136318153.db2.gz PVUCPPHPRMYIQL-HOCLYGCPSA-N 1 3 335.452 -0.224 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372941806 1136332954 /nfs/dbraw/zinc/33/29/54/1136332954.db2.gz CDRHXNXHIJDSSX-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372941806 1136332958 /nfs/dbraw/zinc/33/29/58/1136332958.db2.gz CDRHXNXHIJDSSX-VXGBXAGGSA-N 1 3 327.429 -0.780 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001372942901 1136333475 /nfs/dbraw/zinc/33/34/75/1136333475.db2.gz TYKONCRLOFMDLA-STQMWFEESA-N 1 3 343.472 -0.145 20 0 EBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001373757591 1136553824 /nfs/dbraw/zinc/55/38/24/1136553824.db2.gz HGAGGGALWXEXFO-NEPJUHHUSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@H](CNC(=O)[C@H](C)CN1CCOCC1)C[NH2+]Cc1cnon1 ZINC001374109962 1136624129 /nfs/dbraw/zinc/62/41/29/1136624129.db2.gz QUHYCKAVOWDONT-QWHCGFSZSA-N 1 3 325.413 -0.120 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CCC1 ZINC001374612554 1136745987 /nfs/dbraw/zinc/74/59/87/1136745987.db2.gz BDPMCMRHSZXECN-ZDUSSCGKSA-N 1 3 342.484 -0.300 20 0 EBADHO CN(CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C1CCC1 ZINC001374614654 1136748000 /nfs/dbraw/zinc/74/80/00/1136748000.db2.gz HEEVHMOZFFBLOD-KBPBESRZSA-N 1 3 326.441 -0.842 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C ZINC001374617788 1136752525 /nfs/dbraw/zinc/75/25/25/1136752525.db2.gz WONPAWSONIHAGG-KBPBESRZSA-N 1 3 342.484 -0.158 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C ZINC001374617788 1136752526 /nfs/dbraw/zinc/75/25/26/1136752526.db2.gz WONPAWSONIHAGG-KBPBESRZSA-N 1 3 342.484 -0.158 20 0 EBADHO CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001374654244 1136777870 /nfs/dbraw/zinc/77/78/70/1136777870.db2.gz WZISULMWTYRIKL-HUUCEWRRSA-N 1 3 342.484 -0.158 20 0 EBADHO CCC(C)(C)NC(=O)CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374667127 1136787820 /nfs/dbraw/zinc/78/78/20/1136787820.db2.gz ATRJMNYRFVEDQN-ZDUSSCGKSA-N 1 3 340.468 -0.546 20 0 EBADHO NC(=O)c1cccc(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001374674319 1136792731 /nfs/dbraw/zinc/79/27/31/1136792731.db2.gz XZZFESDACFMKTI-OAHLLOKOSA-N 1 3 346.431 -0.552 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001374681713 1136798072 /nfs/dbraw/zinc/79/80/72/1136798072.db2.gz DVLYLJSXRNWVIO-GJZGRUSLSA-N 1 3 340.468 -0.453 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687151 1136802564 /nfs/dbraw/zinc/80/25/64/1136802564.db2.gz ZJISQFBUYOALQF-CABCVRRESA-N 1 3 349.431 -0.024 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cccc3c2OCCO3)C1 ZINC001374687151 1136802568 /nfs/dbraw/zinc/80/25/68/1136802568.db2.gz ZJISQFBUYOALQF-CABCVRRESA-N 1 3 349.431 -0.024 20 0 EBADHO CCN(CCN[C@@H](C)C(=O)NC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001374724242 1136814701 /nfs/dbraw/zinc/81/47/01/1136814701.db2.gz WQXGVODIPNVQBG-LBPRGKRZSA-N 1 3 341.456 -0.118 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N1CCOCC1)[NH+](C)C ZINC001374834101 1136846113 /nfs/dbraw/zinc/84/61/13/1136846113.db2.gz RGHVMKMWMICSOV-HIFRSBDPSA-N 1 3 328.457 -0.474 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001374899023 1136868187 /nfs/dbraw/zinc/86/81/87/1136868187.db2.gz RUKZKLUQOIXLFQ-AVGNSLFASA-N 1 3 343.472 -0.099 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC000628050551 375995855 /nfs/dbraw/zinc/99/58/55/375995855.db2.gz GRJWDFWWIZRJGN-LBPRGKRZSA-N 1 3 327.429 -0.731 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC000628050551 375995868 /nfs/dbraw/zinc/99/58/68/375995868.db2.gz GRJWDFWWIZRJGN-LBPRGKRZSA-N 1 3 327.429 -0.731 20 0 EBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCO1 ZINC000642768955 376088494 /nfs/dbraw/zinc/08/84/94/376088494.db2.gz UTKHUQMQSSVUBE-ZOWXZIJZSA-N 1 3 344.481 -0.886 20 0 EBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768976 376090679 /nfs/dbraw/zinc/09/06/79/376090679.db2.gz YWPJEQPANZRWOC-JKSUJKDBSA-N 1 3 340.493 -0.248 20 0 EBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](CN)C1 ZINC000584043465 376061669 /nfs/dbraw/zinc/06/16/69/376061669.db2.gz XFBOTRPACNDGRU-MGPQQGTHSA-N 1 3 325.457 -0.923 20 0 EBADHO C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000584218030 376219971 /nfs/dbraw/zinc/21/99/71/376219971.db2.gz UOSTUFOVACXCBO-LSDHHAIUSA-N 1 3 342.484 -0.442 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000642887394 376454324 /nfs/dbraw/zinc/45/43/24/376454324.db2.gz QVHHJWJADJHFKV-DGAVXFQQSA-N 1 3 338.452 -0.041 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000642887394 376454326 /nfs/dbraw/zinc/45/43/26/376454326.db2.gz QVHHJWJADJHFKV-DGAVXFQQSA-N 1 3 338.452 -0.041 20 0 EBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000642896761 376571696 /nfs/dbraw/zinc/57/16/96/376571696.db2.gz XEFHJUUPECBRAD-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904583 376684458 /nfs/dbraw/zinc/68/44/58/376684458.db2.gz ZLYMUJCPXSTJPG-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CO[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC[C@@H]1C ZINC000560637382 376754803 /nfs/dbraw/zinc/75/48/03/376754803.db2.gz AHZDJJMFZSQJGG-GJZGRUSLSA-N 1 3 342.484 -0.178 20 0 EBADHO COCCN(C)C[C@H](O)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000566415307 376788076 /nfs/dbraw/zinc/78/80/76/376788076.db2.gz AVHQZNFFOAVYIP-INIZCTEOSA-N 1 3 345.484 -0.915 20 0 EBADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000569724295 377156866 /nfs/dbraw/zinc/15/68/66/377156866.db2.gz UUXMSAIRFKYTEL-QWHCGFSZSA-N 1 3 346.435 -0.477 20 0 EBADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570224984 377220975 /nfs/dbraw/zinc/22/09/75/377220975.db2.gz ALZHUSQSMUHFIB-HOTGVXAUSA-N 1 3 346.431 -0.653 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371246 377477230 /nfs/dbraw/zinc/47/72/30/377477230.db2.gz YYCJTWJDCZRSGS-WFASDCNBSA-N 1 3 340.493 -0.059 20 0 EBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000595958207 378038149 /nfs/dbraw/zinc/03/81/49/378038149.db2.gz YXHAXXGGJIMEFW-KGLIPLIRSA-N 1 3 327.425 -0.259 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000563147702 378454518 /nfs/dbraw/zinc/45/45/18/378454518.db2.gz VIMWPZUSPFXJBI-HNNXBMFYSA-N 1 3 340.468 -0.424 20 0 EBADHO CN(CCN(C)C1CC[NH+](C)CC1)CCN1CCCS1(=O)=O ZINC000336856869 378572933 /nfs/dbraw/zinc/57/29/33/378572933.db2.gz OUCVLVLUPPLXBL-UHFFFAOYSA-N 1 3 332.514 -0.020 20 0 EBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000570959091 378718583 /nfs/dbraw/zinc/71/85/83/378718583.db2.gz VMGKWOMUGAREET-MJBXVCDLSA-N 1 3 326.441 -0.578 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000629800100 379142078 /nfs/dbraw/zinc/14/20/78/379142078.db2.gz NRXOWJILONCKPV-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000629805698 379150218 /nfs/dbraw/zinc/15/02/18/379150218.db2.gz OXLSSLVZLOJNTN-UHFFFAOYSA-N 1 3 328.457 -0.375 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000458441496 379222843 /nfs/dbraw/zinc/22/28/43/379222843.db2.gz SCEASWGBLBEYQC-HUUCEWRRSA-N 1 3 328.457 -0.147 20 0 EBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000458441496 379222852 /nfs/dbraw/zinc/22/28/52/379222852.db2.gz SCEASWGBLBEYQC-HUUCEWRRSA-N 1 3 328.457 -0.147 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627315219 379316065 /nfs/dbraw/zinc/31/60/65/379316065.db2.gz ZPJMWCFGWIETGS-CQSZACIVSA-N 1 3 326.441 -0.530 20 0 EBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627319804 379322631 /nfs/dbraw/zinc/32/26/31/379322631.db2.gz HOCDRATZWQMGAY-AWEZNQCLSA-N 1 3 328.457 -0.199 20 0 EBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312310 379305162 /nfs/dbraw/zinc/30/51/62/379305162.db2.gz WFGDDBGBXAJJLY-ZIAGYGMSSA-N 1 3 328.457 -0.343 20 0 EBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)C[NH2+]1 ZINC000627483872 379454677 /nfs/dbraw/zinc/45/46/77/379454677.db2.gz MOUAKYYHIGAGGI-ZIAGYGMSSA-N 1 3 327.473 -0.805 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000627425349 379592575 /nfs/dbraw/zinc/59/25/75/379592575.db2.gz MUZOUTSVNPYXEJ-KGLIPLIRSA-N 1 3 338.452 -0.256 20 0 EBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627425824 379593514 /nfs/dbraw/zinc/59/35/14/379593514.db2.gz AKOSIZHZQSPGDB-MRXNPFEDSA-N 1 3 345.447 -0.112 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488833 379640105 /nfs/dbraw/zinc/64/01/05/379640105.db2.gz JXYGZOZQTYDOLO-KGLIPLIRSA-N 1 3 326.441 -0.447 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502294 379645930 /nfs/dbraw/zinc/64/59/30/379645930.db2.gz REMQHXTYXBMREQ-QWHCGFSZSA-N 1 3 347.419 -0.395 20 0 EBADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCOCC1 ZINC000627452142 379604250 /nfs/dbraw/zinc/60/42/50/379604250.db2.gz BVJAQHSYTVHSBY-UHFFFAOYSA-N 1 3 347.419 -0.646 20 0 EBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453629 379605502 /nfs/dbraw/zinc/60/55/02/379605502.db2.gz SQQXTJXYCALCCX-KGLIPLIRSA-N 1 3 338.452 -0.304 20 0 EBADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631936558 379785414 /nfs/dbraw/zinc/78/54/14/379785414.db2.gz FJNUHMLJLCHYNO-OAHLLOKOSA-N 1 3 330.498 -0.218 20 0 EBADHO C[NH2+]CCOCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627173778 379820832 /nfs/dbraw/zinc/82/08/32/379820832.db2.gz FFQNUDKWLZNLKF-HOTGVXAUSA-N 1 3 341.500 -0.110 20 0 EBADHO C[NH2+]CCOCCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000627173627 379821618 /nfs/dbraw/zinc/82/16/18/379821618.db2.gz DQAGPMFVIWYKEW-UHFFFAOYSA-N 1 3 329.489 -0.062 20 0 EBADHO CN1CCC(n2cc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cn2)CC1 ZINC000633028238 379922290 /nfs/dbraw/zinc/92/22/90/379922290.db2.gz ZQIMXFMPAYBLDU-FZMZJTMJSA-N 1 3 332.408 -0.339 20 0 EBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000627484747 379893732 /nfs/dbraw/zinc/89/37/32/379893732.db2.gz HWVOBKHEYZVDQW-CQSZACIVSA-N 1 3 326.441 -0.445 20 0 EBADHO CCN1CCN(CCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000614069338 379906881 /nfs/dbraw/zinc/90/68/81/379906881.db2.gz WEBUVOLTCJHARY-KRWDZBQOSA-N 1 3 326.485 -0.071 20 0 EBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633556915 379963215 /nfs/dbraw/zinc/96/32/15/379963215.db2.gz XTJXSAWQDLBAJN-CYBMUJFWSA-N 1 3 336.440 -0.363 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633138899 379947740 /nfs/dbraw/zinc/94/77/40/379947740.db2.gz FIUDTSDUIKVRFR-CHWSQXEVSA-N 1 3 347.419 -0.313 20 0 EBADHO CCN1CCN(CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354730810 380090067 /nfs/dbraw/zinc/09/00/67/380090067.db2.gz ASRDFGYFLUPMIP-OAHLLOKOSA-N 1 3 339.484 -0.612 20 0 EBADHO COC(=O)CNC(=O)CCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355057991 380136382 /nfs/dbraw/zinc/13/63/82/380136382.db2.gz CMSSMZDDFVTNLF-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO COC(=O)CNC(=O)CCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000355057991 380136388 /nfs/dbraw/zinc/13/63/88/380136388.db2.gz CMSSMZDDFVTNLF-CQSZACIVSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)CN1CCN(C)CC1 ZINC000546591411 380115337 /nfs/dbraw/zinc/11/53/37/380115337.db2.gz BXNGNSOXJZBMRN-HOCLYGCPSA-N 1 3 327.473 -0.764 20 0 EBADHO C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)CN1CCN(C)CC1 ZINC000546591411 380115347 /nfs/dbraw/zinc/11/53/47/380115347.db2.gz BXNGNSOXJZBMRN-HOCLYGCPSA-N 1 3 327.473 -0.764 20 0 EBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000638097553 380131512 /nfs/dbraw/zinc/13/15/12/380131512.db2.gz FYOIFUHKPHCHIZ-PBHICJAKSA-N 1 3 338.452 -0.480 20 0 EBADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C)CNCCO2)CC1 ZINC000638098171 380133337 /nfs/dbraw/zinc/13/33/37/380133337.db2.gz KCALOEDJLQSDAK-INIZCTEOSA-N 1 3 326.441 -0.623 20 0 EBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638241840 380307468 /nfs/dbraw/zinc/30/74/68/380307468.db2.gz TYTPVCQYDMGOAS-ROUUACIJSA-N 1 3 345.491 -0.048 20 0 EBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564943666 380386280 /nfs/dbraw/zinc/38/62/80/380386280.db2.gz HEEGMFXGKSWKLQ-GFCCVEGCSA-N 1 3 345.411 -0.412 20 0 EBADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000566090501 380446191 /nfs/dbraw/zinc/44/61/91/380446191.db2.gz ILBLCWLEUZETQO-CABCVRRESA-N 1 3 341.500 -0.476 20 0 EBADHO CO[C@]1(C)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000565407528 380417896 /nfs/dbraw/zinc/41/78/96/380417896.db2.gz CIDFRFHMLCHIDX-QGZVFWFLSA-N 1 3 342.484 -0.034 20 0 EBADHO CO[C@@]1(C)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000565407527 380418528 /nfs/dbraw/zinc/41/85/28/380418528.db2.gz CIDFRFHMLCHIDX-KRWDZBQOSA-N 1 3 342.484 -0.034 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCCOCC[NH+](C)C)CCSC1 ZINC000340443882 380501331 /nfs/dbraw/zinc/50/13/31/380501331.db2.gz YSTGKFXGHVMOSF-HNNXBMFYSA-N 1 3 346.497 -0.766 20 0 EBADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249379 380509494 /nfs/dbraw/zinc/50/94/94/380509494.db2.gz BSBILSRQDCMYJA-HIFRSBDPSA-N 1 3 346.497 -0.113 20 0 EBADHO O=C(CN1CC[NH2+]CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000638405625 380460624 /nfs/dbraw/zinc/46/06/24/380460624.db2.gz DYRMNHUPPQIBIG-KRWDZBQOSA-N 1 3 332.448 -0.225 20 0 EBADHO C[C@@H]1CN(CCCNC(=O)NCCN2CC[NH2+]CC2)CCCO1 ZINC000418116165 380480084 /nfs/dbraw/zinc/48/00/84/380480084.db2.gz PYCVBQJDINSGQZ-OAHLLOKOSA-N 1 3 327.473 -0.308 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000573626370 380680985 /nfs/dbraw/zinc/68/09/85/380680985.db2.gz ZPJMWCFGWIETGS-AWEZNQCLSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000573793009 380686378 /nfs/dbraw/zinc/68/63/78/380686378.db2.gz FYPYENKDBLCENB-RHSMWYFYSA-N 1 3 338.452 -0.623 20 0 EBADHO C[C@@H]1CN(CCC[NH2+]C[C@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795074 380687750 /nfs/dbraw/zinc/68/77/50/380687750.db2.gz KSVAVMDFYPVFDP-SJORKVTESA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795074 380687759 /nfs/dbraw/zinc/68/77/59/380687759.db2.gz KSVAVMDFYPVFDP-SJORKVTESA-N 1 3 328.501 -0.315 20 0 EBADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)CN2CCN(C)CC2)CCCO1 ZINC000573795074 380687765 /nfs/dbraw/zinc/68/77/65/380687765.db2.gz KSVAVMDFYPVFDP-SJORKVTESA-N 1 3 328.501 -0.315 20 0 EBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004068 380754888 /nfs/dbraw/zinc/75/48/88/380754888.db2.gz MAMYOGLYJGYFGQ-CAOSSQGBSA-N 1 3 343.431 -0.305 20 0 EBADHO COCCN(C)CC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000576135478 380759213 /nfs/dbraw/zinc/75/92/13/380759213.db2.gz PDJCTXNCNFDDNY-MRXNPFEDSA-N 1 3 348.447 -0.100 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000574498928 380713981 /nfs/dbraw/zinc/71/39/81/380713981.db2.gz HCGUYLCYDUVCOX-OKILXGFUSA-N 1 3 328.457 -0.426 20 0 EBADHO NC(C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(F)(F)F ZINC000574635174 380719190 /nfs/dbraw/zinc/71/91/90/380719190.db2.gz YJLQUNKTQIOQER-OUAUKWLOSA-N 1 3 336.358 -0.017 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000171300317 380729434 /nfs/dbraw/zinc/72/94/34/380729434.db2.gz PWNRPHJDMNONIO-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000171300317 380729441 /nfs/dbraw/zinc/72/94/41/380729441.db2.gz PWNRPHJDMNONIO-ZIAGYGMSSA-N 1 3 348.513 -0.201 20 0 EBADHO OC[C@H]1CC[N@@H+](CCCCCN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000577321082 380818886 /nfs/dbraw/zinc/81/88/86/380818886.db2.gz OUEXHSLVGDXSDM-WNKDZCFJSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CC[N@H+](CCCCCN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000577321082 380818898 /nfs/dbraw/zinc/81/88/98/380818898.db2.gz OUEXHSLVGDXSDM-WNKDZCFJSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000577321082 380818905 /nfs/dbraw/zinc/81/89/05/380818905.db2.gz OUEXHSLVGDXSDM-WNKDZCFJSA-N 1 3 330.469 -0.493 20 0 EBADHO OC[C@H]1CCN(CCCCC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000577321082 380818912 /nfs/dbraw/zinc/81/89/12/380818912.db2.gz OUEXHSLVGDXSDM-WNKDZCFJSA-N 1 3 330.469 -0.493 20 0 EBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000577943021 380858250 /nfs/dbraw/zinc/85/82/50/380858250.db2.gz IZRYFXOLMWATRQ-KBPBESRZSA-N 1 3 327.473 -0.948 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417574101 380946336 /nfs/dbraw/zinc/94/63/36/380946336.db2.gz YOPGIEBXAJHUPI-OAHLLOKOSA-N 1 3 327.473 -0.308 20 0 EBADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000579453905 380988790 /nfs/dbraw/zinc/98/87/90/380988790.db2.gz VZLUEOVYZRRCPL-HNNXBMFYSA-N 1 3 339.484 -0.674 20 0 EBADHO CN(C)CCN(Cc1ccccn1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000581249729 381063470 /nfs/dbraw/zinc/06/34/70/381063470.db2.gz ORCXHLZSGMBHNC-OAHLLOKOSA-N 1 3 333.436 -0.160 20 0 EBADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581602065 381087400 /nfs/dbraw/zinc/08/74/00/381087400.db2.gz VIGZOSZRFLKGDY-GJZGRUSLSA-N 1 3 339.484 -0.722 20 0 EBADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581602065 381087407 /nfs/dbraw/zinc/08/74/07/381087407.db2.gz VIGZOSZRFLKGDY-GJZGRUSLSA-N 1 3 339.484 -0.722 20 0 EBADHO CC[NH+]1CCC(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639949632 381155939 /nfs/dbraw/zinc/15/59/39/381155939.db2.gz LUHGDCMOKHQUPB-CALCHBBNSA-N 1 3 336.436 -0.429 20 0 EBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000633149958 381290760 /nfs/dbraw/zinc/29/07/60/381290760.db2.gz XYHYAKJOLAFTFR-KGLIPLIRSA-N 1 3 325.457 -0.970 20 0 EBADHO CC(C)(CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000418836418 381292408 /nfs/dbraw/zinc/29/24/08/381292408.db2.gz PQXQHDUYXNHUBY-UHFFFAOYSA-N 1 3 339.484 -0.612 20 0 EBADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000418802630 381276498 /nfs/dbraw/zinc/27/64/98/381276498.db2.gz YFDDNOFCRNSTIU-LSDHHAIUSA-N 1 3 328.457 -0.243 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCO)CC1 ZINC000580412792 381278891 /nfs/dbraw/zinc/27/88/91/381278891.db2.gz PFKZARNWABOIIL-UHFFFAOYSA-N 1 3 342.484 -0.441 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000418881654 381330773 /nfs/dbraw/zinc/33/07/73/381330773.db2.gz XTBKAQIHDVUENY-YPMHNXCESA-N 1 3 326.441 -0.184 20 0 EBADHO O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000418930881 381344126 /nfs/dbraw/zinc/34/41/26/381344126.db2.gz CNILUUODEXNXKV-OAHLLOKOSA-N 1 3 340.468 -0.137 20 0 EBADHO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418955643 381348942 /nfs/dbraw/zinc/34/89/42/381348942.db2.gz YDNGYBADGAFTRG-GOEBONIOSA-N 1 3 348.447 -0.191 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419027247 381355642 /nfs/dbraw/zinc/35/56/42/381355642.db2.gz OFNGZTNUEVNVQW-ZIAGYGMSSA-N 1 3 328.457 -0.425 20 0 EBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419026177 381356574 /nfs/dbraw/zinc/35/65/74/381356574.db2.gz MWORHTXDABEDKU-QLFBSQMISA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)[C@H](CNC(=O)C(=O)N(CCN)CCO)[NH+]1CCCCCC1 ZINC000419128112 381388848 /nfs/dbraw/zinc/38/88/48/381388848.db2.gz VCYJTPZIUGMIMB-HNNXBMFYSA-N 1 3 342.484 -0.217 20 0 EBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CCO1 ZINC000419222317 381401776 /nfs/dbraw/zinc/40/17/76/381401776.db2.gz BNXHXUCCTNLZJZ-LSDHHAIUSA-N 1 3 338.452 -0.447 20 0 EBADHO CN(C)C(=O)NCCN(C)C/C=C\C[N@H+](C)CCNC(=O)N(C)C ZINC000348920057 381422079 /nfs/dbraw/zinc/42/20/79/381422079.db2.gz OFGUKMAGUPJQSE-FPLPWBNLSA-N 1 3 342.488 -0.051 20 0 EBADHO CN(C)C(=O)NCCN(C)C/C=C\C[N@@H+](C)CCNC(=O)N(C)C ZINC000348920057 381422089 /nfs/dbraw/zinc/42/20/89/381422089.db2.gz OFGUKMAGUPJQSE-FPLPWBNLSA-N 1 3 342.488 -0.051 20 0 EBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000419415633 381430624 /nfs/dbraw/zinc/43/06/24/381430624.db2.gz VMVBOSFMMBBCNN-AWEZNQCLSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419432641 381436956 /nfs/dbraw/zinc/43/69/56/381436956.db2.gz YKAQNNLZDHAMPR-UONOGXRCSA-N 1 3 326.441 -0.528 20 0 EBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419452953 381441295 /nfs/dbraw/zinc/44/12/95/381441295.db2.gz QOEMHNGBCMXZFO-UONOGXRCSA-N 1 3 328.457 -0.486 20 0 EBADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419699060 381474754 /nfs/dbraw/zinc/47/47/54/381474754.db2.gz QQQQDAJYHKQLKV-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419699060 381474758 /nfs/dbraw/zinc/47/47/58/381474758.db2.gz QQQQDAJYHKQLKV-GJZGRUSLSA-N 1 3 340.468 -0.282 20 0 EBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419681492 381483172 /nfs/dbraw/zinc/48/31/72/381483172.db2.gz RXDJTFJEKJAHHN-CHWSQXEVSA-N 1 3 344.456 -0.700 20 0 EBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419681492 381483176 /nfs/dbraw/zinc/48/31/76/381483176.db2.gz RXDJTFJEKJAHHN-CHWSQXEVSA-N 1 3 344.456 -0.700 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)CCSC1 ZINC000419581154 381459710 /nfs/dbraw/zinc/45/97/10/381459710.db2.gz IWXWPNRXRFIJEW-HNNXBMFYSA-N 1 3 328.482 -0.202 20 0 EBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419847640 381507337 /nfs/dbraw/zinc/50/73/37/381507337.db2.gz UAQGPODYWGUQJQ-CYBMUJFWSA-N 1 3 347.419 -0.393 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419782842 381494468 /nfs/dbraw/zinc/49/44/68/381494468.db2.gz UUWQAEFXIFWHDH-JKSUJKDBSA-N 1 3 348.447 -0.366 20 0 EBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419783967 381495278 /nfs/dbraw/zinc/49/52/78/381495278.db2.gz WCMIKOCWUQRGLU-KGLIPLIRSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[NH3+] ZINC000419827266 381499513 /nfs/dbraw/zinc/49/95/13/381499513.db2.gz BIVXPOXERIZTST-UHFFFAOYSA-N 1 3 328.363 -0.070 20 0 EBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189271 381564722 /nfs/dbraw/zinc/56/47/22/381564722.db2.gz NYVVMWNZJSZQTQ-KFWWJZLASA-N 1 3 340.468 -0.140 20 0 EBADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420193570 381566532 /nfs/dbraw/zinc/56/65/32/381566532.db2.gz CPIFBZWRUGHRBG-HNNXBMFYSA-N 1 3 342.484 -0.083 20 0 EBADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000571744969 381618444 /nfs/dbraw/zinc/61/84/44/381618444.db2.gz BEMQGNSGVMDKKV-HZPDHXFCSA-N 1 3 339.484 -0.214 20 0 EBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CC[C@@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000351488961 381628374 /nfs/dbraw/zinc/62/83/74/381628374.db2.gz GUADYWAIKLPTFR-RWMBFGLXSA-N 1 3 346.435 -0.507 20 0 EBADHO CC(C)OCCN1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351575313 381645732 /nfs/dbraw/zinc/64/57/32/381645732.db2.gz UXXSJXBOLRYLFS-OAHLLOKOSA-N 1 3 340.468 -0.140 20 0 EBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000627394587 381792968 /nfs/dbraw/zinc/79/29/68/381792968.db2.gz KYROYMATAVXJJD-ZDUSSCGKSA-N 1 3 328.457 -0.425 20 0 EBADHO COC(=O)c1c(N2CC(N(C)C)C2)ncnc1N1CC([NH+](C)C)C1 ZINC000612448848 381821135 /nfs/dbraw/zinc/82/11/35/381821135.db2.gz SBTKBBIJBQHNTQ-UHFFFAOYSA-N 1 3 334.424 -0.236 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333467855 381923906 /nfs/dbraw/zinc/92/39/06/381923906.db2.gz AKNSUZOSKNEVHW-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000333128683 381893778 /nfs/dbraw/zinc/89/37/78/381893778.db2.gz ARINZMNSRHAGJP-KKUMJFAQSA-N 1 3 326.441 -0.131 20 0 EBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000333827298 381961332 /nfs/dbraw/zinc/96/13/32/381961332.db2.gz LWBKYJQPDKVGNZ-QLFBSQMISA-N 1 3 337.468 -0.068 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000328991562 155200940 /nfs/dbraw/zinc/20/09/40/155200940.db2.gz DHGFGONVBDEERM-HOTGVXAUSA-N 1 3 349.479 -0.859 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000328991562 155200945 /nfs/dbraw/zinc/20/09/45/155200945.db2.gz DHGFGONVBDEERM-HOTGVXAUSA-N 1 3 349.479 -0.859 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[C@@H]1[NH+](C)C ZINC000331431999 155369621 /nfs/dbraw/zinc/36/96/21/155369621.db2.gz UHFLOICFQOBBGB-BEAPCOKYSA-N 1 3 348.451 -0.918 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)NCC[N@H+](C)CCOC)C2)CC1 ZINC000106557325 154090250 /nfs/dbraw/zinc/09/02/50/154090250.db2.gz RYFZWYZQUCHVNR-INIZCTEOSA-N 1 3 341.500 -0.014 20 0 EBADHO CCN1CCN([C@H]2CCN(C(=O)NCC[N@@H+](C)CCOC)C2)CC1 ZINC000106557325 154090253 /nfs/dbraw/zinc/09/02/53/154090253.db2.gz RYFZWYZQUCHVNR-INIZCTEOSA-N 1 3 341.500 -0.014 20 0 EBADHO CNC(=O)NC(=O)CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261652298 154195677 /nfs/dbraw/zinc/19/56/77/154195677.db2.gz JTDFSBUTGUUVOC-CHWSQXEVSA-N 1 3 339.440 -0.588 20 0 EBADHO NC(=O)NC(=O)CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261962073 154206383 /nfs/dbraw/zinc/20/63/83/154206383.db2.gz XYHSSHNZOCYANL-NEPJUHHUSA-N 1 3 325.413 -0.848 20 0 EBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262224960 154218459 /nfs/dbraw/zinc/21/84/59/154218459.db2.gz JUUZQDFDIPIKNC-UHFFFAOYSA-N 1 3 340.468 -0.246 20 0 EBADHO CC[NH+]1CCN(Cc2ccc(NC(=O)CNC(=O)CN)cc2)CC1 ZINC000262441795 154231958 /nfs/dbraw/zinc/23/19/58/154231958.db2.gz URJOWNKGLMQNJW-UHFFFAOYSA-N 1 3 333.436 -0.163 20 0 EBADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262459354 154232054 /nfs/dbraw/zinc/23/20/54/154232054.db2.gz VPTZWFLNGGSVFE-IAGOWNOFSA-N 1 3 332.448 -0.227 20 0 EBADHO COc1cc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)ccc1OCCN(C)C ZINC000262495880 154233711 /nfs/dbraw/zinc/23/37/11/154233711.db2.gz KALSCSZZNGJXKY-UONOGXRCSA-N 1 3 337.420 -0.025 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1)N(C)C1CC1 ZINC000342099621 156007384 /nfs/dbraw/zinc/00/73/84/156007384.db2.gz BMQYKLBCPDWFPO-ZDUSSCGKSA-N 1 3 340.468 -0.594 20 0 EBADHO Cn1c2ncn(CCN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000342090290 156007713 /nfs/dbraw/zinc/00/77/13/156007713.db2.gz SOOTYAPIMUAIAD-YNEHKIRRSA-N 1 3 346.435 -0.507 20 0 EBADHO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000342699928 156052721 /nfs/dbraw/zinc/05/27/21/156052721.db2.gz WWGKVHJPXMRAEN-ZDUSSCGKSA-N 1 3 340.424 -0.967 20 0 EBADHO CC(C)[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)N1CCN(C)CC1 ZINC000343436605 156134192 /nfs/dbraw/zinc/13/41/92/156134192.db2.gz DDEFAAISNCNTJT-DLBZAZTESA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436605 156134196 /nfs/dbraw/zinc/13/41/96/156134196.db2.gz DDEFAAISNCNTJT-DLBZAZTESA-N 1 3 337.512 -0.236 20 0 EBADHO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)N1CCN(C)CC1 ZINC000343436605 156134200 /nfs/dbraw/zinc/13/42/00/156134200.db2.gz DDEFAAISNCNTJT-DLBZAZTESA-N 1 3 337.512 -0.236 20 0 EBADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357579525 157156119 /nfs/dbraw/zinc/15/61/19/157156119.db2.gz PDHVGXAOXAPJKF-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357579525 157156120 /nfs/dbraw/zinc/15/61/20/157156120.db2.gz PDHVGXAOXAPJKF-ZIAGYGMSSA-N 1 3 340.468 -0.188 20 0 EBADHO CCN1CCN(C(=O)[C@H](C)[N@H+](C)C2CCN(CCO)CC2)CC1 ZINC000357643625 157163103 /nfs/dbraw/zinc/16/31/03/157163103.db2.gz GFUPXGZPSPDTCR-HNNXBMFYSA-N 1 3 326.485 -0.073 20 0 EBADHO CCN1CCN(C(=O)[C@H](C)[N@@H+](C)C2CCN(CCO)CC2)CC1 ZINC000357643625 157163108 /nfs/dbraw/zinc/16/31/08/157163108.db2.gz GFUPXGZPSPDTCR-HNNXBMFYSA-N 1 3 326.485 -0.073 20 0 EBADHO CN(C)CCOCCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358320555 157232411 /nfs/dbraw/zinc/23/24/11/157232411.db2.gz JSAMGVQZIFXFOU-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000358727385 157275075 /nfs/dbraw/zinc/27/50/75/157275075.db2.gz VXBUCOFVZVDIEG-INIZCTEOSA-N 1 3 328.457 -0.147 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000360278437 157371668 /nfs/dbraw/zinc/37/16/68/157371668.db2.gz JSKMNDFYSPUIMG-HNNXBMFYSA-N 1 3 340.468 -0.232 20 0 EBADHO C[NH2+]CCN(C)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419372416 419006226 /nfs/dbraw/zinc/00/62/26/419006226.db2.gz KTORVPKTWMFOOW-UHFFFAOYSA-N 1 3 332.448 -0.120 20 0 EBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650909340 419088615 /nfs/dbraw/zinc/08/86/15/419088615.db2.gz STGJDUWBBQXHGP-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650909340 419088621 /nfs/dbraw/zinc/08/86/21/419088621.db2.gz STGJDUWBBQXHGP-CQSZACIVSA-N 1 3 325.457 -0.114 20 0 EBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651221777 419181476 /nfs/dbraw/zinc/18/14/76/419181476.db2.gz BLNBSXIMOAIMFN-UONOGXRCSA-N 1 3 346.497 -0.447 20 0 EBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651221777 419181480 /nfs/dbraw/zinc/18/14/80/419181480.db2.gz BLNBSXIMOAIMFN-UONOGXRCSA-N 1 3 346.497 -0.447 20 0 EBADHO CCN1CCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000516649633 419244802 /nfs/dbraw/zinc/24/48/02/419244802.db2.gz XSKAGQUTDFCYTE-AWEZNQCLSA-N 1 3 335.456 -0.603 20 0 EBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652680949 419251782 /nfs/dbraw/zinc/25/17/82/419251782.db2.gz VZOJMRYACYHXBP-ZIAGYGMSSA-N 1 3 328.457 -0.343 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652688013 419259860 /nfs/dbraw/zinc/25/98/60/419259860.db2.gz TXODJVRQVYYZFQ-BPLDGKMQSA-N 1 3 338.452 -0.425 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651855504 419224439 /nfs/dbraw/zinc/22/44/39/419224439.db2.gz ALKQZLLVBSBKRZ-CQSZACIVSA-N 1 3 336.440 -0.064 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000652622178 419241354 /nfs/dbraw/zinc/24/13/54/419241354.db2.gz COWMMMLVSKOCKX-AEGPPILISA-N 1 3 348.451 -0.031 20 0 EBADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652621949 419241893 /nfs/dbraw/zinc/24/18/93/419241893.db2.gz ZFOPKFMGNKQTLD-CHWSQXEVSA-N 1 3 336.440 -0.031 20 0 EBADHO CN(C)CCn1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000652612471 419242015 /nfs/dbraw/zinc/24/20/15/419242015.db2.gz SKBVLHSTQOWOLS-HNNXBMFYSA-N 1 3 335.456 -0.044 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729532 419324170 /nfs/dbraw/zinc/32/41/70/419324170.db2.gz JNVZJZIWMJYNTP-GBJTYRQASA-N 1 3 340.468 -0.393 20 0 EBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C[C@H]1C[NH3+] ZINC000652731764 419333841 /nfs/dbraw/zinc/33/38/41/419333841.db2.gz UFMNVJZNZRBJFU-QLFBSQMISA-N 1 3 340.468 -0.250 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340484135 419360090 /nfs/dbraw/zinc/36/00/90/419360090.db2.gz NAWRGMOMYWIKIW-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340484135 419360094 /nfs/dbraw/zinc/36/00/94/419360094.db2.gz NAWRGMOMYWIKIW-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000342767025 419399405 /nfs/dbraw/zinc/39/94/05/419399405.db2.gz ZUUMBJCZLVDQDO-CHWSQXEVSA-N 1 3 342.440 -0.674 20 0 EBADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000647966629 419401068 /nfs/dbraw/zinc/40/10/68/419401068.db2.gz ATKNHQOSGMXUMX-CVEARBPZSA-N 1 3 326.485 -0.074 20 0 EBADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000647966629 419401075 /nfs/dbraw/zinc/40/10/75/419401075.db2.gz ATKNHQOSGMXUMX-CVEARBPZSA-N 1 3 326.485 -0.074 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346077519 419484509 /nfs/dbraw/zinc/48/45/09/419484509.db2.gz CJEFMIXZNHDYRN-KGLIPLIRSA-N 1 3 340.468 -0.236 20 0 EBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346077527 419484683 /nfs/dbraw/zinc/48/46/83/419484683.db2.gz CJEFMIXZNHDYRN-ZIAGYGMSSA-N 1 3 340.468 -0.236 20 0 EBADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1O ZINC000647995756 419459741 /nfs/dbraw/zinc/45/97/41/419459741.db2.gz ZNLQRWOZOYFCEM-KBMXLJTQSA-N 1 3 340.468 -0.196 20 0 EBADHO CN1CCN(CCCCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000532792787 419626218 /nfs/dbraw/zinc/62/62/18/419626218.db2.gz IFEZPYYVKUFHGV-INIZCTEOSA-N 1 3 329.489 -0.374 20 0 EBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659717438 419787617 /nfs/dbraw/zinc/78/76/17/419787617.db2.gz HVZIXRDUFOZQHG-UONOGXRCSA-N 1 3 326.441 -0.545 20 0 EBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000422375253 419886097 /nfs/dbraw/zinc/88/60/97/419886097.db2.gz JCAMIUGMYSAQGV-CQSZACIVSA-N 1 3 328.457 -0.378 20 0 EBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423260890 419926968 /nfs/dbraw/zinc/92/69/68/419926968.db2.gz IPTJDRIRESMVQX-ZNMIVQPWSA-N 1 3 340.468 -0.391 20 0 EBADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CN1CCOCC1 ZINC000514933800 419976045 /nfs/dbraw/zinc/97/60/45/419976045.db2.gz ZANBFKUFUIISJS-BRWVUGGUSA-N 1 3 327.469 -0.353 20 0 EBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673290 419986159 /nfs/dbraw/zinc/98/61/59/419986159.db2.gz SXHFYXULKWZPJL-HUUCEWRRSA-N 1 3 335.452 -0.043 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1ncn(C)n1 ZINC000645767478 420516487 /nfs/dbraw/zinc/51/64/87/420516487.db2.gz FMLHRTYGJATERU-UHFFFAOYSA-N 1 3 325.461 -0.118 20 0 EBADHO CC1CCN(C[C@H](O)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645959187 420530125 /nfs/dbraw/zinc/53/01/25/420530125.db2.gz FAEPIFVSIOSDGM-ZIAGYGMSSA-N 1 3 326.441 -0.936 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649318513 420798953 /nfs/dbraw/zinc/79/89/53/420798953.db2.gz RCXQVYGLMGYXKK-CYBMUJFWSA-N 1 3 326.441 -0.576 20 0 EBADHO COC[C@H]1C[C@@H](O)CN1CCOCC[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764088 420815670 /nfs/dbraw/zinc/81/56/70/420815670.db2.gz PVDYBCDQZBXOCG-KLHDSHLOSA-N 1 3 332.441 -0.834 20 0 EBADHO COC[C@H]1C[C@@H](O)CN1CCOCC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764088 420815675 /nfs/dbraw/zinc/81/56/75/420815675.db2.gz PVDYBCDQZBXOCG-KLHDSHLOSA-N 1 3 332.441 -0.834 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)CN2CC[C@H](C)C2)C1 ZINC000654997596 420848036 /nfs/dbraw/zinc/84/80/36/420848036.db2.gz GAHXJAJKAHZTQA-ILXRZTDVSA-N 1 3 340.468 -0.737 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)CN2CC[C@H](C)C2)C1 ZINC000654997596 420848040 /nfs/dbraw/zinc/84/80/40/420848040.db2.gz GAHXJAJKAHZTQA-ILXRZTDVSA-N 1 3 340.468 -0.737 20 0 EBADHO NC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(F)(F)F ZINC000655913624 420859606 /nfs/dbraw/zinc/85/96/06/420859606.db2.gz BQYOJDXZJJYTQO-UWVGGRQHSA-N 1 3 339.362 -0.237 20 0 EBADHO NC[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C(F)(F)F ZINC000655913624 420859608 /nfs/dbraw/zinc/85/96/08/420859608.db2.gz BQYOJDXZJJYTQO-UWVGGRQHSA-N 1 3 339.362 -0.237 20 0 EBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656025385 420869283 /nfs/dbraw/zinc/86/92/83/420869283.db2.gz JCFOTODKLMKCOT-ZIAGYGMSSA-N 1 3 326.441 -0.528 20 0 EBADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656325288 420888983 /nfs/dbraw/zinc/88/89/83/420888983.db2.gz NXCIQJIZOWQHBR-LSDHHAIUSA-N 1 3 340.468 -0.186 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658102238 420951153 /nfs/dbraw/zinc/95/11/53/420951153.db2.gz DTZMGYCOFBWBQA-HNNXBMFYSA-N 1 3 339.484 -0.755 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658102238 420951157 /nfs/dbraw/zinc/95/11/57/420951157.db2.gz DTZMGYCOFBWBQA-HNNXBMFYSA-N 1 3 339.484 -0.755 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658456453 420956756 /nfs/dbraw/zinc/95/67/56/420956756.db2.gz PAKWQMWNDFKTDF-CQSZACIVSA-N 1 3 326.441 -0.936 20 0 EBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658456453 420956760 /nfs/dbraw/zinc/95/67/60/420956760.db2.gz PAKWQMWNDFKTDF-CQSZACIVSA-N 1 3 326.441 -0.936 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659709475 421018771 /nfs/dbraw/zinc/01/87/71/421018771.db2.gz JOUOQMKACYWKKC-CQSZACIVSA-N 1 3 341.500 -0.428 20 0 EBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659715145 421020054 /nfs/dbraw/zinc/02/00/54/421020054.db2.gz OMUNEACZHNGNOL-GJZGRUSLSA-N 1 3 338.452 -0.386 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000659719511 421020814 /nfs/dbraw/zinc/02/08/14/421020814.db2.gz YNLXBDVAAQJPRX-RWMBFGLXSA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000659719511 421020816 /nfs/dbraw/zinc/02/08/16/421020816.db2.gz YNLXBDVAAQJPRX-RWMBFGLXSA-N 1 3 326.441 -0.184 20 0 EBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000659719511 421020818 /nfs/dbraw/zinc/02/08/18/421020818.db2.gz YNLXBDVAAQJPRX-RWMBFGLXSA-N 1 3 326.441 -0.184 20 0 EBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000659749002 421029216 /nfs/dbraw/zinc/02/92/16/421029216.db2.gz DFMVNGPOLJXARI-LBPRGKRZSA-N 1 3 335.408 -0.537 20 0 EBADHO O=C([N-]c1nc(N2CC[NH2+]CC2)n[nH]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662426594 421086673 /nfs/dbraw/zinc/08/66/73/421086673.db2.gz WAMQBJPVSTVYIG-UHFFFAOYSA-N 1 3 346.395 -0.078 20 0 EBADHO [NH3+]CCn1cc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)nn1 ZINC000662859168 421103438 /nfs/dbraw/zinc/10/34/38/421103438.db2.gz KVBRHDKACVEPDE-HNNXBMFYSA-N 1 3 344.419 -0.267 20 0 EBADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017162 421123430 /nfs/dbraw/zinc/12/34/30/421123430.db2.gz INTHXQZSFFRZFH-WVZRYYJFSA-N 1 3 344.463 -0.009 20 0 EBADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017161 421123581 /nfs/dbraw/zinc/12/35/81/421123581.db2.gz INTHXQZSFFRZFH-SZOQZIPDSA-N 1 3 344.463 -0.009 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1C(=O)CNC1=O ZINC000664107362 421147773 /nfs/dbraw/zinc/14/77/73/421147773.db2.gz VSSXVMHENRAKDA-LBPRGKRZSA-N 1 3 342.444 -0.891 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1C(=O)CNC1=O ZINC000664107362 421147776 /nfs/dbraw/zinc/14/77/76/421147776.db2.gz VSSXVMHENRAKDA-LBPRGKRZSA-N 1 3 342.444 -0.891 20 0 EBADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000664184192 421149824 /nfs/dbraw/zinc/14/98/24/421149824.db2.gz UGAOJIHALZMGQR-CQSZACIVSA-N 1 3 343.472 -0.632 20 0 EBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000664427635 421155636 /nfs/dbraw/zinc/15/56/36/421155636.db2.gz WLQHMJZWFMILOE-MELADBBJSA-N 1 3 343.472 -0.410 20 0 EBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000664427635 421155639 /nfs/dbraw/zinc/15/56/39/421155639.db2.gz WLQHMJZWFMILOE-MELADBBJSA-N 1 3 343.472 -0.410 20 0 EBADHO C[NH+]1CCC(n2ccc(NC(=O)[C@H]3CN4CCN3CCC4)n2)CC1 ZINC000580147179 421203652 /nfs/dbraw/zinc/20/36/52/421203652.db2.gz HAMPFAJCQBNNAP-OAHLLOKOSA-N 1 3 332.452 0.478 20 0 EBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424494670 265067828 /nfs/dbraw/zinc/06/78/28/265067828.db2.gz OBSFASDGVQKRON-QLFBSQMISA-N 1 3 348.451 -0.774 20 0 EBADHO CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430647871 265151908 /nfs/dbraw/zinc/15/19/08/265151908.db2.gz QQVFGKXFNBXQIT-CABCVRRESA-N 1 3 339.484 -0.674 20 0 EBADHO COCCNCC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000431030221 265158754 /nfs/dbraw/zinc/15/87/54/265158754.db2.gz KNOLVYNIOKEMJO-UHFFFAOYSA-N 1 3 335.452 -0.054 20 0 EBADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)CCCO1 ZINC000433459344 265189228 /nfs/dbraw/zinc/18/92/28/265189228.db2.gz XNMKPZOUVGXZAT-GOEBONIOSA-N 1 3 328.457 -0.147 20 0 EBADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)CCCO1 ZINC000433459344 265189230 /nfs/dbraw/zinc/18/92/30/265189230.db2.gz XNMKPZOUVGXZAT-GOEBONIOSA-N 1 3 328.457 -0.147 20 0 EBADHO CCN1CCN(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000434420751 265203965 /nfs/dbraw/zinc/20/39/65/265203965.db2.gz SEJQFCSWNWPUJF-MRXNPFEDSA-N 1 3 326.485 -0.023 20 0 EBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCC(=O)N1CCOCC1 ZINC000436068159 265237059 /nfs/dbraw/zinc/23/70/59/265237059.db2.gz VPMNOBIICUZKCF-CQSZACIVSA-N 1 3 326.441 -0.445 20 0 EBADHO CN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670545832 545650487 /nfs/dbraw/zinc/65/04/87/545650487.db2.gz UZKFMMNYJGVJMD-UHFFFAOYSA-N 1 3 331.420 -0.059 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCOC1 ZINC000671335561 545983287 /nfs/dbraw/zinc/98/32/87/545983287.db2.gz RNHUYKWTIPGBLL-AWEZNQCLSA-N 1 3 328.457 -0.519 20 0 EBADHO CN(C)CCn1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cn1 ZINC000676089738 546194595 /nfs/dbraw/zinc/19/45/95/546194595.db2.gz LJLFONULYLNNPT-UHFFFAOYSA-N 1 3 336.440 -0.015 20 0 EBADHO C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097419 546195413 /nfs/dbraw/zinc/19/54/13/546195413.db2.gz LUIUNOQILOYGED-CYBMUJFWSA-N 1 3 336.440 -0.159 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892687348 582585796 /nfs/dbraw/zinc/58/57/96/582585796.db2.gz KFAYRYZIPNNQLW-LSDHHAIUSA-N 1 3 328.457 -0.195 20 0 EBADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892687348 582585798 /nfs/dbraw/zinc/58/57/98/582585798.db2.gz KFAYRYZIPNNQLW-LSDHHAIUSA-N 1 3 328.457 -0.195 20 0 EBADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766039 582586997 /nfs/dbraw/zinc/58/69/97/582586997.db2.gz JWUJJIPZOMNSJO-AWEZNQCLSA-N 1 3 328.457 -0.242 20 0 EBADHO CN(C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768147 582587363 /nfs/dbraw/zinc/58/73/63/582587363.db2.gz HVEINMQWLAZGQB-HIFRSBDPSA-N 1 3 328.457 -0.243 20 0 EBADHO O[C@H]1CCN(CCNc2nccc(NCC[N@@H+]3CC[C@H](O)C3)n2)C1 ZINC000894833486 582635472 /nfs/dbraw/zinc/63/54/72/582635472.db2.gz UPNMLUAIAJAEDN-KBPBESRZSA-N 1 3 336.440 -0.566 20 0 EBADHO O[C@H]1CCN(CCNc2nccc(NCC[N@H+]3CC[C@H](O)C3)n2)C1 ZINC000894833486 582635473 /nfs/dbraw/zinc/63/54/73/582635473.db2.gz UPNMLUAIAJAEDN-KBPBESRZSA-N 1 3 336.440 -0.566 20 0 EBADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)N1CCNCC1 ZINC000903508724 582809528 /nfs/dbraw/zinc/80/95/28/582809528.db2.gz SJXKQJZEINDURK-CALCHBBNSA-N 1 3 335.496 -0.291 20 0 EBADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)N1CCNCC1 ZINC000903508724 582809533 /nfs/dbraw/zinc/80/95/33/582809533.db2.gz SJXKQJZEINDURK-CALCHBBNSA-N 1 3 335.496 -0.291 20 0 EBADHO C[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1CC[NH3+] ZINC000903496770 582809625 /nfs/dbraw/zinc/80/96/25/582809625.db2.gz CEUHSSRHTKBCEI-HUUCEWRRSA-N 1 3 339.484 -0.865 20 0 EBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H]1CCN(c3cnn(C)c3)C1=O)C2 ZINC000903492923 582809787 /nfs/dbraw/zinc/80/97/87/582809787.db2.gz LPKRQPQXWPBJLI-RKCSVJPLSA-N 1 3 347.419 -0.262 20 0 EBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000775036469 583394336 /nfs/dbraw/zinc/39/43/36/583394336.db2.gz UOEGSOUWQSEDQS-CABCVRRESA-N 1 3 338.452 -0.434 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000804054724 583638646 /nfs/dbraw/zinc/63/86/46/583638646.db2.gz WBWHYPCKQUQLDX-APIJFGDWSA-N 1 3 338.452 -0.435 20 0 EBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[N@H+]1C ZINC000804054724 583638648 /nfs/dbraw/zinc/63/86/48/583638648.db2.gz WBWHYPCKQUQLDX-APIJFGDWSA-N 1 3 338.452 -0.435 20 0 EBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000827936263 583929606 /nfs/dbraw/zinc/92/96/06/583929606.db2.gz IDJQGKZQWRQVKO-BFHYXJOUSA-N 1 3 334.424 -0.204 20 0 EBADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000842164275 584058613 /nfs/dbraw/zinc/05/86/13/584058613.db2.gz HRGNQOKPFRUECP-KFWWJZLASA-N 1 3 338.452 -0.401 20 0 EBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842165565 584058842 /nfs/dbraw/zinc/05/88/42/584058842.db2.gz ZKDAXTTWUPGPCK-MGPQQGTHSA-N 1 3 326.441 -0.401 20 0 EBADHO CN1CCN(CCNC(=O)C(=O)NCCCCCC[NH3+])CC1(C)C ZINC000843261176 584074512 /nfs/dbraw/zinc/07/45/12/584074512.db2.gz IGRNTHLYRVEQME-UHFFFAOYSA-N 1 3 341.500 -0.236 20 0 EBADHO O=C(CO[C@H]1CCC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000844181043 584090293 /nfs/dbraw/zinc/09/02/93/584090293.db2.gz NIUZGOJVXOISBD-HNNXBMFYSA-N 1 3 338.452 -0.478 20 0 EBADHO CCO[C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000846142993 584122421 /nfs/dbraw/zinc/12/24/21/584122421.db2.gz CBBWIGOVWHADDS-CBBWQLFWSA-N 1 3 326.441 -0.145 20 0 EBADHO NC[C@@H]1CC(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874411 584218509 /nfs/dbraw/zinc/21/85/09/584218509.db2.gz OYFGNLMAIXNVFG-RWMBFGLXSA-N 1 3 337.424 -0.803 20 0 EBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC000857102383 584274337 /nfs/dbraw/zinc/27/43/37/584274337.db2.gz QUXNXJKQNHUCKL-WBOJAVRRSA-N 1 3 336.436 -0.694 20 0 EBADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000869779999 584441596 /nfs/dbraw/zinc/44/15/96/584441596.db2.gz BFCBHMDLNHHMGZ-HNNXBMFYSA-N 1 3 326.485 -0.025 20 0 EBADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000869779999 584441599 /nfs/dbraw/zinc/44/15/99/584441599.db2.gz BFCBHMDLNHHMGZ-HNNXBMFYSA-N 1 3 326.485 -0.025 20 0 EBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872189995 584458984 /nfs/dbraw/zinc/45/89/84/584458984.db2.gz LCIDSPIWHPJCRG-WMLDXEAASA-N 1 3 339.484 -0.994 20 0 EBADHO COc1cncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000873823553 584476375 /nfs/dbraw/zinc/47/63/75/584476375.db2.gz ZYRJBFBPQQJVDU-UHFFFAOYSA-N 1 3 337.424 -0.020 20 0 EBADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000875236177 584494837 /nfs/dbraw/zinc/49/48/37/584494837.db2.gz BCBIJUAYJGPEHE-ZNMIVQPWSA-N 1 3 340.468 -0.006 20 0 EBADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000875236177 584494839 /nfs/dbraw/zinc/49/48/39/584494839.db2.gz BCBIJUAYJGPEHE-ZNMIVQPWSA-N 1 3 340.468 -0.006 20 0 EBADHO COC[C@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CNCCO1 ZINC000876763618 584522805 /nfs/dbraw/zinc/52/28/05/584522805.db2.gz GTIFSCSWAJVACD-YOEHRIQHSA-N 1 3 340.468 -0.724 20 0 EBADHO COC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CNCCO1 ZINC000876763618 584522806 /nfs/dbraw/zinc/52/28/06/584522806.db2.gz GTIFSCSWAJVACD-YOEHRIQHSA-N 1 3 340.468 -0.724 20 0 EBADHO COC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CNCCO1 ZINC000876763618 584522807 /nfs/dbraw/zinc/52/28/07/584522807.db2.gz GTIFSCSWAJVACD-YOEHRIQHSA-N 1 3 340.468 -0.724 20 0 EBADHO COC[C@@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CNCCO1 ZINC000876763615 584522827 /nfs/dbraw/zinc/52/28/27/584522827.db2.gz GTIFSCSWAJVACD-RHSMWYFYSA-N 1 3 340.468 -0.724 20 0 EBADHO COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CNCCO1 ZINC000876763615 584522828 /nfs/dbraw/zinc/52/28/28/584522828.db2.gz GTIFSCSWAJVACD-RHSMWYFYSA-N 1 3 340.468 -0.724 20 0 EBADHO COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CNCCO1 ZINC000876763615 584522829 /nfs/dbraw/zinc/52/28/29/584522829.db2.gz GTIFSCSWAJVACD-RHSMWYFYSA-N 1 3 340.468 -0.724 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878969263 584546231 /nfs/dbraw/zinc/54/62/31/584546231.db2.gz PHXLQZRWXDSXIV-UHFFFAOYSA-N 1 3 334.486 -0.636 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCN1c1ccncc1 ZINC000883638435 584604109 /nfs/dbraw/zinc/60/41/09/584604109.db2.gz MJKSHFWQPKROKD-UONOGXRCSA-N 1 3 331.420 -0.074 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1c1ccncc1 ZINC000883642417 584604113 /nfs/dbraw/zinc/60/41/13/584604113.db2.gz LHBXLORZNAKTCN-CQSZACIVSA-N 1 3 349.435 -0.448 20 0 EBADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000884560127 584627326 /nfs/dbraw/zinc/62/73/26/584627326.db2.gz NZUKSEVICJLQIW-QLFBSQMISA-N 1 3 338.452 -0.304 20 0 EBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000884640151 584631178 /nfs/dbraw/zinc/63/11/78/584631178.db2.gz VIBSPMIZFVGHDM-KBPBESRZSA-N 1 3 338.452 -0.304 20 0 EBADHO C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])CN1CCN(C)CC1 ZINC000884669803 584632686 /nfs/dbraw/zinc/63/26/86/584632686.db2.gz HGESKOFTAXMCQR-ZDUSSCGKSA-N 1 3 327.473 -0.770 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675243 584633097 /nfs/dbraw/zinc/63/30/97/584633097.db2.gz WZUWVIUYTMJCRL-CYBMUJFWSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688218 584634422 /nfs/dbraw/zinc/63/44/22/584634422.db2.gz WDZOYWKGIUGGMI-KBPBESRZSA-N 1 3 331.420 -0.013 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884706327 584634979 /nfs/dbraw/zinc/63/49/79/584634979.db2.gz ZJQOIEVKUMYFEW-FQUUOJAGSA-N 1 3 338.452 -0.232 20 0 EBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884706327 584634981 /nfs/dbraw/zinc/63/49/81/584634981.db2.gz ZJQOIEVKUMYFEW-FQUUOJAGSA-N 1 3 338.452 -0.232 20 0 EBADHO C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1c1ccncc1 ZINC000884706655 584635017 /nfs/dbraw/zinc/63/50/17/584635017.db2.gz KEILIPKOKNXVKK-SWLSCSKDSA-N 1 3 331.420 -0.028 20 0 EBADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000884726617 584636701 /nfs/dbraw/zinc/63/67/01/584636701.db2.gz XWGOSZZXSORHHC-DZGCQCFKSA-N 1 3 347.419 -0.777 20 0 EBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787698 584637780 /nfs/dbraw/zinc/63/77/80/584637780.db2.gz ZCHRYERPAACLLM-VXGBXAGGSA-N 1 3 332.395 -0.052 20 0 EBADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000887093383 584676582 /nfs/dbraw/zinc/67/65/82/584676582.db2.gz JERIVCLNZBSPSF-CQSZACIVSA-N 1 3 349.435 -0.448 20 0 EBADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000887093286 584676633 /nfs/dbraw/zinc/67/66/33/584676633.db2.gz GWFOVBZFLLHBAP-YDHLFZDLSA-N 1 3 329.404 -0.309 20 0 EBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCCC12CCOCC2 ZINC000904985036 650054864 /nfs/dbraw/zinc/05/48/64/650054864.db2.gz UXAWKGIWOPDTLF-UHFFFAOYSA-N 1 3 340.468 -0.232 20 0 EBADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000904994501 650057074 /nfs/dbraw/zinc/05/70/74/650057074.db2.gz GYVBMRBWPSVZME-HUUCEWRRSA-N 1 3 336.436 -0.704 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCn2cccc2C1 ZINC000910614378 650116575 /nfs/dbraw/zinc/11/65/75/650116575.db2.gz WDMJXYZINYTTCB-UHFFFAOYSA-N 1 3 335.452 -0.218 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000910963636 650142400 /nfs/dbraw/zinc/14/24/00/650142400.db2.gz SQYPNBZGEVVHAK-FVQBIDKESA-N 1 3 332.448 0.000 20 0 EBADHO CN(CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)C1CC1 ZINC000911052841 650148189 /nfs/dbraw/zinc/14/81/89/650148189.db2.gz ISGRXIQFSLBAJX-QWRGUYRKSA-N 1 3 336.358 -0.065 20 0 EBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911056686 650148529 /nfs/dbraw/zinc/14/85/29/650148529.db2.gz YRXUEQIHSHRTIZ-AWEZNQCLSA-N 1 3 340.468 -0.057 20 0 EBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)N1CCC(C)CC1 ZINC000911091773 650150552 /nfs/dbraw/zinc/15/05/52/650150552.db2.gz PUGPZCQCFACYHW-PBHICJAKSA-N 1 3 340.468 -0.465 20 0 EBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000911148442 650154212 /nfs/dbraw/zinc/15/42/12/650154212.db2.gz OILIPVQMGOISRT-RRFJBIMHSA-N 1 3 338.452 -0.434 20 0 EBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000911146920 650154482 /nfs/dbraw/zinc/15/44/82/650154482.db2.gz CXYYABJJUILUME-UMPJEAMMSA-N 1 3 336.436 -0.694 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000911149560 650155096 /nfs/dbraw/zinc/15/50/96/650155096.db2.gz XOKWKBCKAJCRKP-TUVASFSCSA-N 1 3 338.452 -0.672 20 0 EBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCSC1 ZINC000911199064 650159046 /nfs/dbraw/zinc/15/90/46/650159046.db2.gz JSPPYIZGHNFUNY-CVEARBPZSA-N 1 3 340.493 -0.106 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC[C@H]1C[NH3+] ZINC000911198116 650159078 /nfs/dbraw/zinc/15/90/78/650159078.db2.gz GAPAHKFJSRQUPA-DVOMOZLQSA-N 1 3 342.509 -0.017 20 0 EBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911162425 650156084 /nfs/dbraw/zinc/15/60/84/650156084.db2.gz RIQAJKJFAVIXPT-AWEZNQCLSA-N 1 3 339.484 -0.484 20 0 EBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911270534 650165037 /nfs/dbraw/zinc/16/50/37/650165037.db2.gz YJFHUKLDECHGHE-RBSFLKMASA-N 1 3 339.484 -0.818 20 0 EBADHO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324955 650171071 /nfs/dbraw/zinc/17/10/71/650171071.db2.gz NPXWYONDPXZWTG-CKEIUWERSA-N 1 3 338.452 -0.568 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C[NH+](C)C ZINC000911433934 650183507 /nfs/dbraw/zinc/18/35/07/650183507.db2.gz FJWFYTLHWTVPEZ-FVQBIDKESA-N 1 3 348.447 -0.190 20 0 EBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CCO1 ZINC000911532230 650191049 /nfs/dbraw/zinc/19/10/49/650191049.db2.gz KRWJBTWRFWMUPI-STQMWFEESA-N 1 3 326.441 -0.591 20 0 EBADHO CN(CCNC(=O)C1C[NH+](C2CCOCC2)C1)CCOCCO ZINC000922108239 650328852 /nfs/dbraw/zinc/32/88/52/650328852.db2.gz DFNSYAHJPVMYFE-UHFFFAOYSA-N 1 3 329.441 -0.846 20 0 EBADHO C[NH+](C)CCOc1ccc(CNS(=O)(=O)N2CCNCC2)cc1 ZINC000923590860 650345414 /nfs/dbraw/zinc/34/54/14/650345414.db2.gz GMHUBHGDHHCDLO-UHFFFAOYSA-N 1 3 342.465 -0.133 20 0 EBADHO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)N2CCNCC2)C1 ZINC000923678305 650352035 /nfs/dbraw/zinc/35/20/35/650352035.db2.gz WEJUUVXKRNMBPW-NSHDSACASA-N 1 3 328.413 -0.087 20 0 EBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926340930 650387371 /nfs/dbraw/zinc/38/73/71/650387371.db2.gz APZSGDSFDQLMNY-HNNXBMFYSA-N 1 3 339.484 -0.659 20 0 EBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926340930 650387372 /nfs/dbraw/zinc/38/73/72/650387372.db2.gz APZSGDSFDQLMNY-HNNXBMFYSA-N 1 3 339.484 -0.659 20 0 EBADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926339181 650387599 /nfs/dbraw/zinc/38/75/99/650387599.db2.gz DDIVEHFVSTXDES-GJZGRUSLSA-N 1 3 337.468 -0.907 20 0 EBADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926339181 650387601 /nfs/dbraw/zinc/38/76/01/650387601.db2.gz DDIVEHFVSTXDES-GJZGRUSLSA-N 1 3 337.468 -0.907 20 0 EBADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350966 650388303 /nfs/dbraw/zinc/38/83/03/650388303.db2.gz IAOWXEBKWHKCQV-HNNXBMFYSA-N 1 3 339.484 -0.802 20 0 EBADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350966 650388306 /nfs/dbraw/zinc/38/83/06/650388306.db2.gz IAOWXEBKWHKCQV-HNNXBMFYSA-N 1 3 339.484 -0.802 20 0 EBADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C[C@]2(C)C1 ZINC000929992406 651574657 /nfs/dbraw/zinc/57/46/57/651574657.db2.gz QQGJKPJVYQKENR-RKVPGOIHSA-N 1 3 334.464 -0.003 20 0 EBADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C[C@]2(C)C1 ZINC000929992406 651574658 /nfs/dbraw/zinc/57/46/58/651574658.db2.gz QQGJKPJVYQKENR-RKVPGOIHSA-N 1 3 334.464 -0.003 20 0 EBADHO CCO[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C[NH+](C)C ZINC000930490989 651598514 /nfs/dbraw/zinc/59/85/14/651598514.db2.gz KAEQNJPXNVAJCA-NWANDNLSSA-N 1 3 340.468 -0.332 20 0 EBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000931018008 651619731 /nfs/dbraw/zinc/61/97/31/651619731.db2.gz KLEINPNTJPRFJX-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)C[NH+](C)C ZINC000932469225 651683032 /nfs/dbraw/zinc/68/30/32/651683032.db2.gz NADSQMHNGRXWFO-KGLIPLIRSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000946924701 653270575 /nfs/dbraw/zinc/27/05/75/653270575.db2.gz JGVWEFGVNPIMOU-UONOGXRCSA-N 1 3 340.468 -0.452 20 0 EBADHO O=C(NC[C@@H]1CN(CCn2cncn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214906 722328576 /nfs/dbraw/zinc/32/85/76/722328576.db2.gz OJMKLAMVNZHZIZ-CABCVRRESA-N 1 3 348.451 -0.685 20 0 EBADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958282822 722337071 /nfs/dbraw/zinc/33/70/71/722337071.db2.gz AJTSHCPYFCEKMN-RDJZCZTQSA-N 1 3 335.448 -0.195 20 0 EBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CCC1 ZINC001018962703 728757184 /nfs/dbraw/zinc/75/71/84/728757184.db2.gz JIFYERMFJIEVAU-LBPRGKRZSA-N 1 3 337.424 -0.787 20 0 EBADHO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C ZINC000962315518 723224709 /nfs/dbraw/zinc/22/47/09/723224709.db2.gz ZUBIUPRJGOXEFY-MUYACECFSA-N 1 3 331.420 -0.058 20 0 EBADHO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C ZINC000962315518 723224711 /nfs/dbraw/zinc/22/47/11/723224711.db2.gz ZUBIUPRJGOXEFY-MUYACECFSA-N 1 3 331.420 -0.058 20 0 EBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001019380984 728875270 /nfs/dbraw/zinc/87/52/70/728875270.db2.gz UYTZTUPKOFKAOH-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001019380984 728875271 /nfs/dbraw/zinc/87/52/71/728875271.db2.gz UYTZTUPKOFKAOH-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)cn1 ZINC001019495699 728900754 /nfs/dbraw/zinc/90/07/54/728900754.db2.gz BFSVZVNJSRFLNS-HNNXBMFYSA-N 1 3 348.451 -0.519 20 0 EBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CCC1 ZINC000968921661 725128819 /nfs/dbraw/zinc/12/88/19/725128819.db2.gz DPDHURDEELELMN-GFCCVEGCSA-N 1 3 337.424 -0.787 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000969412878 725178247 /nfs/dbraw/zinc/17/82/47/725178247.db2.gz MEMHISJTASYDCP-YUELXQCFSA-N 1 3 349.435 -0.710 20 0 EBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000969412878 725178249 /nfs/dbraw/zinc/17/82/49/725178249.db2.gz MEMHISJTASYDCP-YUELXQCFSA-N 1 3 349.435 -0.710 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CCO1 ZINC000969595347 725196020 /nfs/dbraw/zinc/19/60/20/725196020.db2.gz WLGBERYMBXHUHJ-RRFJBIMHSA-N 1 3 338.452 -0.482 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590031 728932963 /nfs/dbraw/zinc/93/29/63/728932963.db2.gz KUHKZNUKRZTVKI-ZFWWWQNUSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)C1 ZINC001019590031 728932964 /nfs/dbraw/zinc/93/29/64/728932964.db2.gz KUHKZNUKRZTVKI-ZFWWWQNUSA-N 1 3 349.435 -0.362 20 0 EBADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC000969844350 725222433 /nfs/dbraw/zinc/22/24/33/725222433.db2.gz IXPTVKYDPFDZCJ-CZUORRHYSA-N 1 3 338.452 -0.088 20 0 EBADHO CC[C@H](N[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970355829 725282212 /nfs/dbraw/zinc/28/22/12/725282212.db2.gz PWANOPRFCUXUQM-OCCSQVGLSA-N 1 3 326.441 -0.448 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000991618418 725488166 /nfs/dbraw/zinc/48/81/66/725488166.db2.gz MLBSCGSICCFYER-KGLIPLIRSA-N 1 3 347.419 -0.874 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000992061342 725712670 /nfs/dbraw/zinc/71/26/70/725712670.db2.gz YDJRXKPDYIXORW-OAHLLOKOSA-N 1 3 348.451 -0.521 20 0 EBADHO C[C@@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996473684 726402222 /nfs/dbraw/zinc/40/22/22/726402222.db2.gz VWEYRIBKDFXTKB-TZMCWYRMSA-N 1 3 340.468 -0.202 20 0 EBADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996621204 726420346 /nfs/dbraw/zinc/42/03/46/726420346.db2.gz QHVAXQYLNCYCNB-HZPDHXFCSA-N 1 3 348.451 -0.278 20 0 EBADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC000996681250 726422070 /nfs/dbraw/zinc/42/20/70/726422070.db2.gz YMLUTOKNRZBGGS-ZFWWWQNUSA-N 1 3 336.436 -0.288 20 0 EBADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1)N(C)C ZINC000997009869 726434706 /nfs/dbraw/zinc/43/47/06/726434706.db2.gz OZKLXQDIGDQPEI-HNNXBMFYSA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000192721 726558177 /nfs/dbraw/zinc/55/81/77/726558177.db2.gz NAWJGWSSMJCKDH-CABCVRRESA-N 1 3 337.468 -0.066 20 0 EBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001000311256 726563520 /nfs/dbraw/zinc/56/35/20/726563520.db2.gz GXSWDWJDLJSVFE-QWHCGFSZSA-N 1 3 340.449 -0.033 20 0 EBADHO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)CCO1 ZINC001019774633 728988796 /nfs/dbraw/zinc/98/87/96/728988796.db2.gz BPSYJSLTAAUFSH-CABCVRRESA-N 1 3 338.452 -0.480 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179189 729092712 /nfs/dbraw/zinc/09/27/12/729092712.db2.gz RPAFOOXSRSHXCD-IXYNUQLISA-N 1 3 348.451 -0.102 20 0 EBADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179189 729092715 /nfs/dbraw/zinc/09/27/15/729092715.db2.gz RPAFOOXSRSHXCD-IXYNUQLISA-N 1 3 348.451 -0.102 20 0 EBADHO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001020405886 729160053 /nfs/dbraw/zinc/16/00/53/729160053.db2.gz DNJXZVMMDIXRAJ-LIDHIPMTSA-N 1 3 348.447 -0.681 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779062 730086737 /nfs/dbraw/zinc/08/67/37/730086737.db2.gz WPKRRJFHHJYSAS-SGPHBRAGSA-N 1 3 348.447 -0.289 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779062 730086739 /nfs/dbraw/zinc/08/67/39/730086739.db2.gz WPKRRJFHHJYSAS-SGPHBRAGSA-N 1 3 348.447 -0.289 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798629 730090678 /nfs/dbraw/zinc/09/06/78/730090678.db2.gz BDOBHNVGYNJLFP-AALSBFMBSA-N 1 3 346.435 -0.812 20 0 EBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798629 730090679 /nfs/dbraw/zinc/09/06/79/730090679.db2.gz BDOBHNVGYNJLFP-AALSBFMBSA-N 1 3 346.435 -0.812 20 0 EBADHO O=C(NC[C@H]1CCCN1C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001028267027 730278737 /nfs/dbraw/zinc/27/87/37/730278737.db2.gz DYTDADAMJVDQKL-CVEARBPZSA-N 1 3 347.463 -0.080 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CCC3=O)C2)C1 ZINC001028982407 730377795 /nfs/dbraw/zinc/37/77/95/730377795.db2.gz KKMGUHJGHHLPPN-UONOGXRCSA-N 1 3 336.436 -0.475 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CCC3=O)C2)C1 ZINC001028982407 730377797 /nfs/dbraw/zinc/37/77/97/730377797.db2.gz KKMGUHJGHHLPPN-UONOGXRCSA-N 1 3 336.436 -0.475 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001030020873 730536078 /nfs/dbraw/zinc/53/60/78/730536078.db2.gz CIVUTGVAFJOLNV-GZBFAFLISA-N 1 3 338.452 -0.042 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001030019276 730536173 /nfs/dbraw/zinc/53/61/73/730536173.db2.gz CIVUTGVAFJOLNV-GUTXKFCHSA-N 1 3 338.452 -0.042 20 0 EBADHO O=C(NCC1CN(C[C@@H](O)Cn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001031811746 730773155 /nfs/dbraw/zinc/77/31/55/730773155.db2.gz AAYWWQYOFYSTRJ-MRXNPFEDSA-N 1 3 347.463 -0.080 20 0 EBADHO CN(C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001040116821 731606598 /nfs/dbraw/zinc/60/65/98/731606598.db2.gz DPWMIGFGGADATN-NVXWUHKLSA-N 1 3 340.468 -0.642 20 0 EBADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001040123909 731611702 /nfs/dbraw/zinc/61/17/02/731611702.db2.gz OBJYHJUXVYQWSE-RDJZCZTQSA-N 1 3 342.484 -0.396 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061605812 738646110 /nfs/dbraw/zinc/64/61/10/738646110.db2.gz ZQHQRGYJCKEZHL-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001061605812 738646111 /nfs/dbraw/zinc/64/61/11/738646111.db2.gz ZQHQRGYJCKEZHL-CABCVRRESA-N 1 3 340.468 -0.377 20 0 EBADHO O=C(CC[NH+]1CCCCC1)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001043426797 732930907 /nfs/dbraw/zinc/93/09/07/732930907.db2.gz NLXYYQLVLDTFAS-UHFFFAOYSA-N 1 3 349.435 -0.482 20 0 EBADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001043429935 732934504 /nfs/dbraw/zinc/93/45/04/732934504.db2.gz HUIOVTHBHRWZOE-UHFFFAOYSA-N 1 3 342.484 -0.252 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CN(C)C(C)C)C1 ZINC001043431818 732936145 /nfs/dbraw/zinc/93/61/45/732936145.db2.gz SYSWMKNVVAEYKF-UHFFFAOYSA-N 1 3 342.484 -0.254 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CN(C)C(C)C)C1 ZINC001043431818 732936147 /nfs/dbraw/zinc/93/61/47/732936147.db2.gz SYSWMKNVVAEYKF-UHFFFAOYSA-N 1 3 342.484 -0.254 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001043661473 733048584 /nfs/dbraw/zinc/04/85/84/733048584.db2.gz SECWPZGPYYAXJS-CQSZACIVSA-N 1 3 349.435 -0.484 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001043661473 733048587 /nfs/dbraw/zinc/04/85/87/733048587.db2.gz SECWPZGPYYAXJS-CQSZACIVSA-N 1 3 349.435 -0.484 20 0 EBADHO CC[C@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001061681644 738692069 /nfs/dbraw/zinc/69/20/69/738692069.db2.gz VOUMSNIAVAWDTJ-UONOGXRCSA-N 1 3 328.457 -0.378 20 0 EBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001044023438 733250386 /nfs/dbraw/zinc/25/03/86/733250386.db2.gz MSABEYMLMGUJRB-ZDUSSCGKSA-N 1 3 338.452 -0.888 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044042067 733259588 /nfs/dbraw/zinc/25/95/88/733259588.db2.gz VNFGDMMUPUJJPF-KGLIPLIRSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044042067 733259592 /nfs/dbraw/zinc/25/95/92/733259592.db2.gz VNFGDMMUPUJJPF-KGLIPLIRSA-N 1 3 340.468 -0.642 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1)N(C)C ZINC001044044376 733260564 /nfs/dbraw/zinc/26/05/64/733260564.db2.gz PALIHCVYXITKEH-ZDUSSCGKSA-N 1 3 342.484 -0.254 20 0 EBADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@@H+](C)CC)C1)N(C)C ZINC001044044376 733260565 /nfs/dbraw/zinc/26/05/65/733260565.db2.gz PALIHCVYXITKEH-ZDUSSCGKSA-N 1 3 342.484 -0.254 20 0 EBADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044298876 733366110 /nfs/dbraw/zinc/36/61/10/733366110.db2.gz QOHUOMDDOUDUDK-UHFFFAOYSA-N 1 3 338.452 -0.887 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001061724738 738725206 /nfs/dbraw/zinc/72/52/06/738725206.db2.gz WGDSIFDPSPFAHB-ZFWWWQNUSA-N 1 3 349.435 -0.362 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001061724738 738725207 /nfs/dbraw/zinc/72/52/07/738725207.db2.gz WGDSIFDPSPFAHB-ZFWWWQNUSA-N 1 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ZINC001047504864 734229791 /nfs/dbraw/zinc/22/97/91/734229791.db2.gz VJMUKKCVCCHHSJ-UBHSHLNASA-N 1 3 325.409 -0.161 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863792 734543649 /nfs/dbraw/zinc/54/36/49/734543649.db2.gz LFTGILVQHPNHIK-QXSJWSMHSA-N 1 3 334.464 -0.005 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863792 734543651 /nfs/dbraw/zinc/54/36/51/734543651.db2.gz LFTGILVQHPNHIK-QXSJWSMHSA-N 1 3 334.464 -0.005 20 0 EBADHO COCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943994 734579104 /nfs/dbraw/zinc/57/91/04/734579104.db2.gz MPXAXXCWYAIUJY-OWQJAQGESA-N 1 3 335.448 -0.114 20 0 EBADHO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943994 734579107 /nfs/dbraw/zinc/57/91/07/734579107.db2.gz MPXAXXCWYAIUJY-OWQJAQGESA-N 1 3 335.448 -0.114 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059208 734630577 /nfs/dbraw/zinc/63/05/77/734630577.db2.gz NRIPFYUICNWBGC-WCVJEAGWSA-N 1 3 334.464 -0.003 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059208 734630579 /nfs/dbraw/zinc/63/05/79/734630579.db2.gz NRIPFYUICNWBGC-WCVJEAGWSA-N 1 3 334.464 -0.003 20 0 EBADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001049435372 734729475 /nfs/dbraw/zinc/72/94/75/734729475.db2.gz LLCCITUDJBJCAK-IHRRRGAJSA-N 1 3 328.457 -0.692 20 0 EBADHO CN(C)[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001049436098 734730023 /nfs/dbraw/zinc/73/00/23/734730023.db2.gz ZSVFAPCFUFCBOM-DZKIICNBSA-N 1 3 340.468 -0.692 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]3CN(CCO)C[C@H]32)n1 ZINC001050048446 734831970 /nfs/dbraw/zinc/83/19/70/734831970.db2.gz YBDXXFAMXPVAJX-GOEBONIOSA-N 1 3 335.452 -0.027 20 0 EBADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050234498 734876409 /nfs/dbraw/zinc/87/64/09/734876409.db2.gz HGUGZBMPXJCAPR-UONOGXRCSA-N 1 3 336.436 -0.284 20 0 EBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054736066 736237059 /nfs/dbraw/zinc/23/70/59/736237059.db2.gz KXPWJZUZSKEDGY-KBPBESRZSA-N 1 3 337.468 -0.068 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001057632385 737371391 /nfs/dbraw/zinc/37/13/91/737371391.db2.gz NLAZQSKYYGEELD-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001057632385 737371393 /nfs/dbraw/zinc/37/13/93/737371393.db2.gz NLAZQSKYYGEELD-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001057632387 737371506 /nfs/dbraw/zinc/37/15/06/737371506.db2.gz NLAZQSKYYGEELD-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001057632387 737371509 /nfs/dbraw/zinc/37/15/09/737371509.db2.gz NLAZQSKYYGEELD-UONOGXRCSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057658644 737395756 /nfs/dbraw/zinc/39/57/56/737395756.db2.gz CMPBVXZPFKWNIX-UHFFFAOYSA-N 1 3 340.468 -0.639 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001057659805 737397117 /nfs/dbraw/zinc/39/71/17/737397117.db2.gz ZYUBUYPGJRTVLM-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001057659805 737397119 /nfs/dbraw/zinc/39/71/19/737397119.db2.gz ZYUBUYPGJRTVLM-OAHLLOKOSA-N 1 3 342.484 -0.250 20 0 EBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)CN(C)C(C)C ZINC001057864314 737485896 /nfs/dbraw/zinc/48/58/96/737485896.db2.gz MDKDPFZHGCKOOA-UHFFFAOYSA-N 1 3 344.500 -0.006 20 0 EBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)CN(C)C(C)C ZINC001057864314 737485897 /nfs/dbraw/zinc/48/58/97/737485897.db2.gz MDKDPFZHGCKOOA-UHFFFAOYSA-N 1 3 344.500 -0.006 20 0 EBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001057883725 737504366 /nfs/dbraw/zinc/50/43/66/737504366.db2.gz UEEJHPKZCQDXHT-CABCVRRESA-N 1 3 342.484 -0.539 20 0 EBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001057883725 737504368 /nfs/dbraw/zinc/50/43/68/737504368.db2.gz UEEJHPKZCQDXHT-CABCVRRESA-N 1 3 342.484 -0.539 20 0 EBADHO CN(C)[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1CC1 ZINC001058607648 737920064 /nfs/dbraw/zinc/92/00/64/737920064.db2.gz JJMXPNZIWOGICM-INIZCTEOSA-N 1 3 342.484 -0.395 20 0 EBADHO C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1 ZINC001058607587 737920161 /nfs/dbraw/zinc/92/01/61/737920161.db2.gz HJYVVCRIBWQBAR-HNNXBMFYSA-N 1 3 342.484 -0.393 20 0 EBADHO CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)N(C)C ZINC001058709431 737960555 /nfs/dbraw/zinc/96/05/55/737960555.db2.gz VGTJSDSCULLAQP-HNNXBMFYSA-N 1 3 330.473 -0.539 20 0 EBADHO CN(CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001065270819 739624570 /nfs/dbraw/zinc/62/45/70/739624570.db2.gz DPDFHJRBCFBSOS-OAHLLOKOSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[C@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001065301202 739636173 /nfs/dbraw/zinc/63/61/73/739636173.db2.gz QZCZUNJPDOQNPG-ZIAGYGMSSA-N 1 3 328.457 -0.378 20 0 EBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070284386 740777935 /nfs/dbraw/zinc/77/79/35/740777935.db2.gz ARKWWGQLTVATDU-YUELXQCFSA-N 1 3 345.407 -0.378 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070534567 740857656 /nfs/dbraw/zinc/85/76/56/740857656.db2.gz ASDFPXLTWAVXQB-IJEWVQPXSA-N 1 3 335.452 -0.362 20 0 EBADHO NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001071104260 741060458 /nfs/dbraw/zinc/06/04/58/741060458.db2.gz OKUNKGBBENXVAF-PBHICJAKSA-N 1 3 338.452 -0.447 20 0 EBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072477869 741411095 /nfs/dbraw/zinc/41/10/95/741411095.db2.gz CKCWCHSAPSSCKW-CABCVRRESA-N 1 3 342.484 -0.131 20 0 EBADHO C[C@@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001075003344 742156751 /nfs/dbraw/zinc/15/67/51/742156751.db2.gz WRQAHUYMXQPZRF-DYEKYZERSA-N 1 3 326.441 -0.450 20 0 EBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001075169016 742195384 /nfs/dbraw/zinc/19/53/84/742195384.db2.gz FLOGNNJNTCOWQN-BTJLNZGRSA-N 1 3 347.419 -0.168 20 0 EBADHO C[NH+]1CCC(C(=O)N2CCCO[C@H](CN[C@@H]3CCNC3=O)C2)CC1 ZINC001078460216 743660743 /nfs/dbraw/zinc/66/07/43/743660743.db2.gz NTVZAQSPMUTCQA-HUUCEWRRSA-N 1 3 338.452 -0.576 20 0 EBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000977201409 804211955 /nfs/dbraw/zinc/21/19/55/804211955.db2.gz HPFHQZAMGLJIHB-LVNYTYFRSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000977201409 804211961 /nfs/dbraw/zinc/21/19/61/804211961.db2.gz HPFHQZAMGLJIHB-LVNYTYFRSA-N 1 3 334.464 -0.147 20 0 EBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)CN1CCCC1 ZINC000989800079 808598447 /nfs/dbraw/zinc/59/84/47/808598447.db2.gz PQFAMHAQOWGLKN-LSDHHAIUSA-N 1 3 338.452 -0.480 20 0 EBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000990278393 808719631 /nfs/dbraw/zinc/71/96/31/808719631.db2.gz RHORCIBTCFRDSV-HNNXBMFYSA-N 1 3 338.452 -0.480 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001215463065 810331336 /nfs/dbraw/zinc/33/13/36/810331336.db2.gz GDLMNOQFGSSZHX-QLFBSQMISA-N 1 3 340.468 -0.378 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536412 810334261 /nfs/dbraw/zinc/33/42/61/810334261.db2.gz QRSGUUPSDXNANT-FRRDWIJNSA-N 1 3 339.440 -0.637 20 0 EBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001215571133 810336686 /nfs/dbraw/zinc/33/66/86/810336686.db2.gz AHJZNTQOJCFPHR-MCIONIFRSA-N 1 3 348.513 -0.346 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001216001457 810354596 /nfs/dbraw/zinc/35/45/96/810354596.db2.gz CMOXCFJBGNGUIX-BZUAXINKSA-N 1 3 345.484 -0.211 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215999030 810355014 /nfs/dbraw/zinc/35/50/14/810355014.db2.gz MJOXIOAGGBGCLK-ZIAGYGMSSA-N 1 3 325.457 -0.210 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216230224 810364038 /nfs/dbraw/zinc/36/40/38/810364038.db2.gz YHCMDFOUJNQRTN-FRRDWIJNSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216230224 810364043 /nfs/dbraw/zinc/36/40/43/810364043.db2.gz YHCMDFOUJNQRTN-FRRDWIJNSA-N 1 3 341.456 -0.391 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001216217288 810364182 /nfs/dbraw/zinc/36/41/82/810364182.db2.gz OYANKKKVDTZNED-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001216217288 810364188 /nfs/dbraw/zinc/36/41/88/810364188.db2.gz OYANKKKVDTZNED-HUUCEWRRSA-N 1 3 340.468 -0.377 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001216229404 810364723 /nfs/dbraw/zinc/36/47/23/810364723.db2.gz IQZYHMZYSFQIEN-IJLUTSLNSA-N 1 3 327.429 -0.652 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001216229404 810364731 /nfs/dbraw/zinc/36/47/31/810364731.db2.gz IQZYHMZYSFQIEN-IJLUTSLNSA-N 1 3 327.429 -0.652 20 0 EBADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851731 810396444 /nfs/dbraw/zinc/39/64/44/810396444.db2.gz GWKWADOBXXYMHJ-HUUCEWRRSA-N 1 3 342.484 -0.084 20 0 EBADHO CN1CCN(c2ncccc2NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001218554723 810502593 /nfs/dbraw/zinc/50/25/93/810502593.db2.gz AUYQFWIPYLJOJL-CYBMUJFWSA-N 1 3 330.436 -0.419 20 0 EBADHO N[C@@H]1C[NH2+][C@H](C(=O)Nc2ncnn3c(Br)ccc23)C1 ZINC001218567273 810504149 /nfs/dbraw/zinc/50/41/49/810504149.db2.gz MJOSKBYYFAMAQO-BQBZGAKWSA-N 1 3 325.170 -0.459 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c(=O)c1 ZINC001218653008 810516702 /nfs/dbraw/zinc/51/67/02/810516702.db2.gz UNBTWLWOKCOFCN-RYUDHWBXSA-N 1 3 336.396 -0.432 20 0 EBADHO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218850433 810537234 /nfs/dbraw/zinc/53/72/34/810537234.db2.gz MBDMJSYMIRDLSY-HNNXBMFYSA-N 1 3 344.415 -0.094 20 0 EBADHO [NH3+]CCCNCC(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218873092 810538912 /nfs/dbraw/zinc/53/89/12/810538912.db2.gz FCWMRTZWZRKUJO-UHFFFAOYSA-N 1 3 335.452 -0.322 20 0 EBADHO COc1cc2c(cc1NC(=O)[C@@H]1CNCCN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503114 810725590 /nfs/dbraw/zinc/72/55/90/810725590.db2.gz BCQKAMQQPQVBGY-GUYCJALGSA-N 1 3 345.403 -0.622 20 0 EBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1COC2(CNC2)CN1 ZINC001219538250 810742484 /nfs/dbraw/zinc/74/24/84/810742484.db2.gz WRZGEURSUPMYSW-MPKXVKKWSA-N 1 3 330.388 -0.597 20 0 EBADHO COc1ccc2c(C[C@H](N)C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cc(=O)oc2c1 ZINC001219714823 810805021 /nfs/dbraw/zinc/80/50/21/810805021.db2.gz ZCMCCAVVRZGQMM-BFHYXJOUSA-N 1 3 347.371 -0.880 20 0 EBADHO COCCn1c2c(ccc1=O)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001219898851 810899440 /nfs/dbraw/zinc/89/94/40/810899440.db2.gz PHEXMVZIJAMRJM-KGLIPLIRSA-N 1 3 336.436 -0.466 20 0 EBADHO O=C(N[C@@H]1COCCC12OCCO2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220172793 811006003 /nfs/dbraw/zinc/00/60/03/811006003.db2.gz BQFOAVSADVUKNX-QWHCGFSZSA-N 1 3 325.409 -0.491 20 0 EBADHO O=C(N[C@@H]1COCCC12OCCO2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220172793 811006009 /nfs/dbraw/zinc/00/60/09/811006009.db2.gz BQFOAVSADVUKNX-QWHCGFSZSA-N 1 3 325.409 -0.491 20 0 EBADHO COC(=O)[C@@]1(NC(=O)CNCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC001220228325 811025649 /nfs/dbraw/zinc/02/56/49/811025649.db2.gz JARFSJSXVSDCGX-GOSISDBHSA-N 1 3 348.447 -0.141 20 0 EBADHO CCOC(=O)CC[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)OCC ZINC001220230622 811027452 /nfs/dbraw/zinc/02/74/52/811027452.db2.gz NFHUCZJNXPSMMH-GXTWGEPZSA-N 1 3 343.424 -0.296 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220230724 811027555 /nfs/dbraw/zinc/02/75/55/811027555.db2.gz PZGOQYFSXXUCDP-KFWWJZLASA-N 1 3 325.453 -0.084 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220230725 811028251 /nfs/dbraw/zinc/02/82/51/811028251.db2.gz PZGOQYFSXXUCDP-ZNMIVQPWSA-N 1 3 325.453 -0.084 20 0 EBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315875 811053626 /nfs/dbraw/zinc/05/36/26/811053626.db2.gz JVERRMJHCLBSTM-XEZPLFJOSA-N 1 3 326.441 -0.497 20 0 EBADHO Cn1cc(Br)c(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001220335729 811060026 /nfs/dbraw/zinc/06/00/26/811060026.db2.gz ROZOXFMSEJIKLO-QMMMGPOBSA-N 1 3 328.214 -0.392 20 0 EBADHO CC(C)[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)N1CCOCC1 ZINC001220453335 811113365 /nfs/dbraw/zinc/11/33/65/811113365.db2.gz CEODTGNLNXMVSD-KBPBESRZSA-N 1 3 326.441 -0.687 20 0 EBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)O1 ZINC001220481431 811124075 /nfs/dbraw/zinc/12/40/75/811124075.db2.gz HBEPCFNPPDAXIH-VLXAULBPSA-N 1 3 342.440 -0.833 20 0 EBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756444 811229412 /nfs/dbraw/zinc/22/94/12/811229412.db2.gz DTAVCLZBNIYIGE-AWEZNQCLSA-N 1 3 348.513 -0.718 20 0 EBADHO O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1COC2(CNC2)CN1 ZINC001220791397 811243695 /nfs/dbraw/zinc/24/36/95/811243695.db2.gz XRDOJZCVLUEQTP-KKUMJFAQSA-N 1 3 331.420 -0.821 20 0 EBADHO CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C[NH2+]C1 ZINC001220828527 811258074 /nfs/dbraw/zinc/25/80/74/811258074.db2.gz PVLCVFVYPWMRQP-JQWIXIFHSA-N 1 3 340.424 -0.599 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)CNC1 ZINC001220851272 811266848 /nfs/dbraw/zinc/26/68/48/811266848.db2.gz OIBOJKQSJUAPHP-ZDUSSCGKSA-N 1 3 349.387 -0.532 20 0 EBADHO CCOC(=O)C1(NC(=O)[C@@H](N)CC(=O)OCc2ccccc2)C[NH2+]C1 ZINC001220851272 811266853 /nfs/dbraw/zinc/26/68/53/811266853.db2.gz OIBOJKQSJUAPHP-ZDUSSCGKSA-N 1 3 349.387 -0.532 20 0 EBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914963 811291193 /nfs/dbraw/zinc/29/11/93/811291193.db2.gz HTHIRCGWYTXCMI-IRXDYDNUSA-N 1 3 346.479 -0.478 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)NCC1CCN(c2cnccn2)CC1 ZINC001220932579 811299718 /nfs/dbraw/zinc/29/97/18/811299718.db2.gz OGCLCZKXPLNXQM-ZDUSSCGKSA-N 1 3 338.481 -0.172 20 0 EBADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2COC3(CNC3)CN2)c2ccncn2)CC1 ZINC001220941460 811304582 /nfs/dbraw/zinc/30/45/82/811304582.db2.gz TZRHNGXUKHBGBB-IHRRRGAJSA-N 1 3 346.435 -0.590 20 0 EBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001220968833 811316547 /nfs/dbraw/zinc/31/65/47/811316547.db2.gz FNLGDTVHIDVVKL-HUUCEWRRSA-N 1 3 346.431 -0.655 20 0 EBADHO O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@H]1C[NH2+]CC12CNC2 ZINC001221153526 811393730 /nfs/dbraw/zinc/39/37/30/811393730.db2.gz KVJWPLSVVARTHL-CYBMUJFWSA-N 1 3 344.419 -0.574 20 0 EBADHO N[C@H](C(=O)NCc1ccc(N2CCCNC2=O)nc1)C1CC[NH2+]CC1 ZINC001221154043 811395030 /nfs/dbraw/zinc/39/50/30/811395030.db2.gz ZDJHQLDMXNOMFU-HNNXBMFYSA-N 1 3 346.435 -0.056 20 0 EBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221393146 811449030 /nfs/dbraw/zinc/44/90/30/811449030.db2.gz XOHUYUVTISLMTR-XMHCIUCPSA-N 1 3 326.466 -0.349 20 0 EBADHO Cn1ncc(NC(=O)[C@@H](N)CCCC[NH3+])c(Br)c1=O ZINC001221401033 811450660 /nfs/dbraw/zinc/45/06/60/811450660.db2.gz AKGUIBCMANQNHB-ZETCQYMHSA-N 1 3 332.202 -0.062 20 0 EBADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162895 811797424 /nfs/dbraw/zinc/79/74/24/811797424.db2.gz NKWCAULXWAOPGW-AWEZNQCLSA-N 1 3 328.457 -0.343 20 0 EBADHO CC[C@@H](C(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001080989262 812428056 /nfs/dbraw/zinc/42/80/56/812428056.db2.gz QDKWFSDYWMNDBR-AWEZNQCLSA-N 1 3 342.484 -0.252 20 0 EBADHO CS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238878276 812535040 /nfs/dbraw/zinc/53/50/40/812535040.db2.gz AXDGXXRAMYRBGE-UHFFFAOYSA-N 1 3 349.478 -0.303 20 0 EBADHO COC(=O)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)N3)CN1 ZINC001246183165 812567491 /nfs/dbraw/zinc/56/74/91/812567491.db2.gz FGKWJRYSAFIIIT-VISZPZFWSA-N 1 3 325.409 -0.448 20 0 EBADHO CS(=O)(=O)c1cccc([C@H](CO)N[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246489261 812574328 /nfs/dbraw/zinc/57/43/28/812574328.db2.gz MQAPBAKKCYBSLP-ZFWWWQNUSA-N 1 3 339.461 -0.193 20 0 EBADHO c1ncc(O[C@@H]2C[C@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CCN3C2)cn1 ZINC001246706178 812582312 /nfs/dbraw/zinc/58/23/12/812582312.db2.gz BOJAZWCQMKUGBM-OWCLPIDISA-N 1 3 344.463 -0.292 20 0 EBADHO [NH3+]CCC(=O)CCC(=O)CCC(=O)CCN[C@@H]1CCS(=O)(=O)C1 ZINC001254324570 812700367 /nfs/dbraw/zinc/70/03/67/812700367.db2.gz NDLJYIORPPQMII-GFCCVEGCSA-N 1 3 346.449 -0.230 20 0 EBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001261896559 813006613 /nfs/dbraw/zinc/00/66/13/813006613.db2.gz JPIWBFQQEMVZHF-AWEZNQCLSA-N 1 3 342.484 -0.131 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001081634315 813334702 /nfs/dbraw/zinc/33/47/02/813334702.db2.gz GAWFSCLQELLFEU-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001081634315 813334708 /nfs/dbraw/zinc/33/47/08/813334708.db2.gz GAWFSCLQELLFEU-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079961 813452719 /nfs/dbraw/zinc/45/27/19/813452719.db2.gz XBSWANZLMIMAMN-KGLIPLIRSA-N 1 3 348.513 -0.107 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731933 813485606 /nfs/dbraw/zinc/48/56/06/813485606.db2.gz AKQYGRFVZKXDEP-KGLIPLIRSA-N 1 3 328.457 -0.785 20 0 EBADHO CCN(CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733168 813489085 /nfs/dbraw/zinc/48/90/85/813489085.db2.gz PXUVWJAOGMTXJD-KBPBESRZSA-N 1 3 328.457 -0.785 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001081774391 813541985 /nfs/dbraw/zinc/54/19/85/813541985.db2.gz OJKHMELJFAVUEM-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081774391 813541990 /nfs/dbraw/zinc/54/19/90/813541990.db2.gz OJKHMELJFAVUEM-CABCVRRESA-N 1 3 342.484 -0.395 20 0 EBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001081774819 813542848 /nfs/dbraw/zinc/54/28/48/813542848.db2.gz UIUWUQNDZAJSQG-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001081774819 813542851 /nfs/dbraw/zinc/54/28/51/813542851.db2.gz UIUWUQNDZAJSQG-CABCVRRESA-N 1 3 342.484 -0.396 20 0 EBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001266622749 813624918 /nfs/dbraw/zinc/62/49/18/813624918.db2.gz PXNVEJQKGKBEKI-AVGNSLFASA-N 1 3 339.440 -0.495 20 0 EBADHO CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@@H]1CCCN1C ZINC001266660117 813633566 /nfs/dbraw/zinc/63/35/66/813633566.db2.gz KEWFVEHKIDYJKD-HOCLYGCPSA-N 1 3 343.468 -0.315 20 0 EBADHO CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@@H]1CCCN1C ZINC001266660118 813634508 /nfs/dbraw/zinc/63/45/08/813634508.db2.gz KEWFVEHKIDYJKD-ZBFHGGJFSA-N 1 3 343.468 -0.315 20 0 EBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267380503 813867199 /nfs/dbraw/zinc/86/71/99/813867199.db2.gz PUMNTQHZAYQNSL-NWDGAFQWSA-N 1 3 330.404 -0.481 20 0 EBADHO CN(CCC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@H]1CCCN1C ZINC001268783556 814386008 /nfs/dbraw/zinc/38/60/08/814386008.db2.gz KGRUGJOTKLWTTG-CYBMUJFWSA-N 1 3 339.440 -0.493 20 0 EBADHO CN(C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247648 814593209 /nfs/dbraw/zinc/59/32/09/814593209.db2.gz ICIBAGHSWIQGPB-RHSMWYFYSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)OCC1=O ZINC001269247648 814593214 /nfs/dbraw/zinc/59/32/14/814593214.db2.gz ICIBAGHSWIQGPB-RHSMWYFYSA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247649 814593334 /nfs/dbraw/zinc/59/33/34/814593334.db2.gz ICIBAGHSWIQGPB-WMLDXEAASA-N 1 3 338.452 -0.670 20 0 EBADHO CN(C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)OCC1=O ZINC001269247649 814593338 /nfs/dbraw/zinc/59/33/38/814593338.db2.gz ICIBAGHSWIQGPB-WMLDXEAASA-N 1 3 338.452 -0.670 20 0 EBADHO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270985767 815943834 /nfs/dbraw/zinc/94/38/34/815943834.db2.gz IFMCGASDVTWSGM-ZDUSSCGKSA-N 1 3 325.457 -0.068 20 0 EBADHO C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)cn1 ZINC001084714799 815966375 /nfs/dbraw/zinc/96/63/75/815966375.db2.gz ZQUSEIHJSFCQIQ-GDBMZVCRSA-N 1 3 335.452 -0.027 20 0 EBADHO C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001271068493 815974278 /nfs/dbraw/zinc/97/42/78/815974278.db2.gz PXRPPZITEOJOGL-UONOGXRCSA-N 1 3 346.497 -0.447 20 0 EBADHO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)CN1CCCC1 ZINC001271206835 816035046 /nfs/dbraw/zinc/03/50/46/816035046.db2.gz INZCGFYGZPQSJG-ZDUSSCGKSA-N 1 3 334.486 -0.590 20 0 EBADHO CCN1CCN(CC(=O)N2CC3(C2)CCN(CC[NH+](C)C)C3)CC1 ZINC001271905590 816248207 /nfs/dbraw/zinc/24/82/07/816248207.db2.gz OVSMOBRWRAZQKN-UHFFFAOYSA-N 1 3 337.512 -0.280 20 0 EBADHO CCN1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCN(C)C)C3)CC1 ZINC001271905590 816248212 /nfs/dbraw/zinc/24/82/12/816248212.db2.gz OVSMOBRWRAZQKN-UHFFFAOYSA-N 1 3 337.512 -0.280 20 0 EBADHO CCN1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCN(C)C)C3)CC1 ZINC001271905590 816248218 /nfs/dbraw/zinc/24/82/18/816248218.db2.gz OVSMOBRWRAZQKN-UHFFFAOYSA-N 1 3 337.512 -0.280 20 0 EBADHO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086432568 816333013 /nfs/dbraw/zinc/33/30/13/816333013.db2.gz YTCDLSGPKLKELD-MRQDFBQNSA-N 1 3 348.447 -0.778 20 0 EBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087088055 816460215 /nfs/dbraw/zinc/46/02/15/816460215.db2.gz IFLWYCQEKFCTSR-VHDGCEQUSA-N 1 3 349.435 -0.316 20 0 EBADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001272555701 816472531 /nfs/dbraw/zinc/47/25/31/816472531.db2.gz QPPPUABGBXQQNT-XHSDSOJGSA-N 1 3 332.452 -0.312 20 0 EBADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001272555701 816472536 /nfs/dbraw/zinc/47/25/36/816472536.db2.gz QPPPUABGBXQQNT-XHSDSOJGSA-N 1 3 332.452 -0.312 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261920 816495214 /nfs/dbraw/zinc/49/52/14/816495214.db2.gz GVSKNWJKJMWWKV-STQMWFEESA-N 1 3 349.435 -0.124 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[n-]2)C1 ZINC001087261920 816495219 /nfs/dbraw/zinc/49/52/19/816495219.db2.gz GVSKNWJKJMWWKV-STQMWFEESA-N 1 3 349.435 -0.124 20 0 EBADHO C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001273184883 816602763 /nfs/dbraw/zinc/60/27/63/816602763.db2.gz UTAHQYHEVMOPEJ-QWHCGFSZSA-N 1 3 339.444 -0.837 20 0 EBADHO C[NH+]1CCC(OCC(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC1 ZINC001088406818 816678215 /nfs/dbraw/zinc/67/82/15/816678215.db2.gz FXCFCQUHJOPPDX-CQSZACIVSA-N 1 3 340.468 -0.057 20 0 EBADHO CCNC(=O)NC(=O)CNCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001273710308 816738118 /nfs/dbraw/zinc/73/81/18/816738118.db2.gz QBISQIWUIBBZRH-UHFFFAOYSA-N 1 3 339.440 -0.634 20 0 EBADHO CCOC(=O)C[C@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273899164 816803242 /nfs/dbraw/zinc/80/32/42/816803242.db2.gz UCUUEZVRWVHAMU-RRFJBIMHSA-N 1 3 341.452 -0.073 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034456 816844687 /nfs/dbraw/zinc/84/46/87/816844687.db2.gz FJJYUYDAWVXQSL-ZAGQHCIPSA-N 1 3 339.440 -0.567 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274034456 816844694 /nfs/dbraw/zinc/84/46/94/816844694.db2.gz FJJYUYDAWVXQSL-ZAGQHCIPSA-N 1 3 339.440 -0.567 20 0 EBADHO CN(CCNC/C=C\CNC(=O)C12CC[NH+](CC1)C2)S(C)(=O)=O ZINC001274512101 816987966 /nfs/dbraw/zinc/98/79/66/816987966.db2.gz UYPAPEUXRNLBAB-ARJAWSKDSA-N 1 3 344.481 -0.764 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)n1 ZINC001090270904 817212613 /nfs/dbraw/zinc/21/26/13/817212613.db2.gz CVSSEUNSTPGEKC-UKRRQHHQSA-N 1 3 341.431 -0.031 20 0 EBADHO CN(C)C(=O)CNCCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001279450583 817934068 /nfs/dbraw/zinc/93/40/68/817934068.db2.gz VFQCFJJHYIBYJE-UHFFFAOYSA-N 1 3 326.441 -0.765 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001279736771 817978538 /nfs/dbraw/zinc/97/85/38/817978538.db2.gz FQOZLEPXXMTPRE-LSDHHAIUSA-N 1 3 340.468 -0.450 20 0 EBADHO CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001279736771 817978543 /nfs/dbraw/zinc/97/85/43/817978543.db2.gz FQOZLEPXXMTPRE-LSDHHAIUSA-N 1 3 340.468 -0.450 20 0 EBADHO CN(C[C@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001282025572 818335430 /nfs/dbraw/zinc/33/54/30/818335430.db2.gz HXHCLXXDDRARNG-CABCVRRESA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)C1(C(=O)NCCNC(=O)COC2CC[NH+](C)CC2)CCC1 ZINC001283064733 818621964 /nfs/dbraw/zinc/62/19/64/818621964.db2.gz MHOMUICXBRPYEG-UHFFFAOYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001283631330 818888975 /nfs/dbraw/zinc/88/89/75/818888975.db2.gz JCORNMAFOBSQOV-QWHCGFSZSA-N 1 3 326.441 -0.088 20 0 EBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001098477587 819207993 /nfs/dbraw/zinc/20/79/93/819207993.db2.gz AVVZSQMVELMXDS-CABCVRRESA-N 1 3 327.469 -0.006 20 0 EBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001098477587 819208000 /nfs/dbraw/zinc/20/80/00/819208000.db2.gz AVVZSQMVELMXDS-CABCVRRESA-N 1 3 327.469 -0.006 20 0 EBADHO O=C(N[C@]12CCC[C@H]1CN([C@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099122577 819421706 /nfs/dbraw/zinc/42/17/06/819421706.db2.gz APSIRAXQVMEETP-DEYYWGMASA-N 1 3 332.448 -0.059 20 0 EBADHO CN(CCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899573 819870751 /nfs/dbraw/zinc/87/07/51/819870751.db2.gz VNISVXFIZVBRGG-CVEARBPZSA-N 1 3 336.436 -0.158 20 0 EBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCN2CCCC2=O)C[C@H]1O ZINC001099988351 819996217 /nfs/dbraw/zinc/99/62/17/819996217.db2.gz HENFDTLKDPJUPG-HUUCEWRRSA-N 1 3 340.468 -0.498 20 0 EBADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001100406045 820406190 /nfs/dbraw/zinc/40/61/90/820406190.db2.gz YREXBMQPWKOQHA-UHFFFAOYSA-N 1 3 331.482 0.000 20 0 EBADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001100407874 820406969 /nfs/dbraw/zinc/40/69/69/820406969.db2.gz MXYZJIAUAOXIRR-UXUKBGGZSA-N 1 3 346.497 -0.640 20 0 EBADHO C[C@@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(=O)NC(N)=O ZINC001100411558 820408613 /nfs/dbraw/zinc/40/86/13/820408613.db2.gz GEMCUHKJQNSGKF-VOMCLLRMSA-N 1 3 339.440 -0.462 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676367 820507402 /nfs/dbraw/zinc/50/74/02/820507402.db2.gz MHUHVYUMSCUFFY-HIFPTAJRSA-N 1 3 339.440 -0.589 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1 ZINC001100769375 820546819 /nfs/dbraw/zinc/54/68/19/820546819.db2.gz HGBHAKGDLLFGMI-UHFFFAOYSA-N 1 3 342.484 -0.035 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1 ZINC001100770955 820547702 /nfs/dbraw/zinc/54/77/02/820547702.db2.gz RPRWVPHERBDZCQ-UHFFFAOYSA-N 1 3 348.513 -0.248 20 0 EBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001100770987 820547963 /nfs/dbraw/zinc/54/79/63/820547963.db2.gz SUKRCVVCPKPCBF-VOMCLLRMSA-N 1 3 327.429 -0.604 20 0 EBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2CC(NCCS(C)(=O)=O)C2)C1 ZINC001100873095 820586944 /nfs/dbraw/zinc/58/69/44/820586944.db2.gz URRIOSKBRHPFHZ-IYXRBSQSSA-N 1 3 331.482 -0.143 20 0 EBADHO C[N@H+]1CC[C@H](CC(=O)NCC2CC(NCCS(C)(=O)=O)C2)C1 ZINC001100873095 820586952 /nfs/dbraw/zinc/58/69/52/820586952.db2.gz URRIOSKBRHPFHZ-IYXRBSQSSA-N 1 3 331.482 -0.143 20 0 EBADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@@H](O)COCCOC)C1 ZINC001100901537 820594539 /nfs/dbraw/zinc/59/45/39/820594539.db2.gz BMYCHNKRQQHXRN-UYSNPLJNSA-N 1 3 345.484 -0.164 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102600473 821170239 /nfs/dbraw/zinc/17/02/39/821170239.db2.gz HFBKCGZVXDSIAA-MCIONIFRSA-N 1 3 338.452 -0.184 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102600473 821170244 /nfs/dbraw/zinc/17/02/44/821170244.db2.gz HFBKCGZVXDSIAA-MCIONIFRSA-N 1 3 338.452 -0.184 20 0 EBADHO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782765 821211930 /nfs/dbraw/zinc/21/19/30/821211930.db2.gz PWVUFDIHFNILRR-JHJVBQTASA-N 1 3 339.440 -0.650 20 0 EBADHO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782765 821211937 /nfs/dbraw/zinc/21/19/37/821211937.db2.gz PWVUFDIHFNILRR-JHJVBQTASA-N 1 3 339.440 -0.650 20 0 EBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103612536 821331465 /nfs/dbraw/zinc/33/14/65/821331465.db2.gz HSSUEYKQYAZEHW-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103612536 821331476 /nfs/dbraw/zinc/33/14/76/821331476.db2.gz HSSUEYKQYAZEHW-CHWSQXEVSA-N 1 3 341.456 -0.403 20 0 EBADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642176 821335209 /nfs/dbraw/zinc/33/52/09/821335209.db2.gz SUHNDNRPPIMXRM-ZIAGYGMSSA-N 1 3 328.457 -0.615 20 0 EBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718738 821345750 /nfs/dbraw/zinc/34/57/50/821345750.db2.gz CUHQCTQLHRDROM-JHJVBQTASA-N 1 3 339.440 -0.793 20 0 EBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718738 821345756 /nfs/dbraw/zinc/34/57/56/821345756.db2.gz CUHQCTQLHRDROM-JHJVBQTASA-N 1 3 339.440 -0.793 20 0 EBADHO C[NH+](C)CCC(=O)NCc1cccc(N2CC[C@H](NCC(N)=O)C2)n1 ZINC001127852123 828339479 /nfs/dbraw/zinc/33/94/79/828339479.db2.gz KKXUARYVGVHIAE-AWEZNQCLSA-N 1 3 348.451 -0.697 20 0 EBADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)N1CCOCC1)[NH+](C)C ZINC001317626118 822184280 /nfs/dbraw/zinc/18/42/80/822184280.db2.gz KWYJOLACEQLTEL-OAHLLOKOSA-N 1 3 328.457 -0.521 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001317861315 822226888 /nfs/dbraw/zinc/22/68/88/822226888.db2.gz OFEHXZAZELGNAX-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001317861315 822226894 /nfs/dbraw/zinc/22/68/94/822226894.db2.gz OFEHXZAZELGNAX-KGLIPLIRSA-N 1 3 338.452 -0.086 20 0 EBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1)N(C)C ZINC001106313297 822246513 /nfs/dbraw/zinc/24/65/13/822246513.db2.gz WBPLFLHJPPSVFS-JHJVBQTASA-N 1 3 341.456 -0.534 20 0 EBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106665027 822308487 /nfs/dbraw/zinc/30/84/87/822308487.db2.gz FVGKUCNAUIAMKY-FRRDWIJNSA-N 1 3 339.440 -0.650 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106778290 822329136 /nfs/dbraw/zinc/32/91/36/822329136.db2.gz CNWFYPYJQKCHRU-CHWSQXEVSA-N 1 3 341.456 -0.532 20 0 EBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1nncn1C ZINC001106877792 822347117 /nfs/dbraw/zinc/34/71/17/822347117.db2.gz ADZMIIIYSVLZJT-ZIAGYGMSSA-N 1 3 338.456 -0.423 20 0 EBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(c2cccc(CNCCO)n2)C1 ZINC001128126958 828418586 /nfs/dbraw/zinc/41/85/86/828418586.db2.gz VATZLNKBKGKLJX-HNNXBMFYSA-N 1 3 335.452 -0.190 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](F)CN(CC)CC ZINC001128527860 828470463 /nfs/dbraw/zinc/47/04/63/828470463.db2.gz DKTSWAYPBGBFCD-NWDGAFQWSA-N 1 3 347.435 -0.394 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001128774228 828524492 /nfs/dbraw/zinc/52/44/92/828524492.db2.gz PLUKMFOWDSPVOC-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CCOCC1 ZINC001128774228 828524496 /nfs/dbraw/zinc/52/44/96/828524496.db2.gz PLUKMFOWDSPVOC-OAHLLOKOSA-N 1 3 340.468 -0.138 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129416167 828615878 /nfs/dbraw/zinc/61/58/78/828615878.db2.gz FPBLKCOZQURXBK-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001129416167 828615884 /nfs/dbraw/zinc/61/58/84/828615884.db2.gz FPBLKCOZQURXBK-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129442697 828620559 /nfs/dbraw/zinc/62/05/59/828620559.db2.gz DDMSVYRRGXHZSK-AWEZNQCLSA-N 1 3 349.497 -0.516 20 0 EBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1CC1 ZINC001129443124 828620598 /nfs/dbraw/zinc/62/05/98/828620598.db2.gz IHUWHPGADYGTJH-VXGBXAGGSA-N 1 3 341.374 -0.028 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001129442433 828620678 /nfs/dbraw/zinc/62/06/78/828620678.db2.gz ACRNTQLMWNTDOR-WFASDCNBSA-N 1 3 326.441 -0.815 20 0 EBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001129442428 828620687 /nfs/dbraw/zinc/62/06/87/828620687.db2.gz ACRNTQLMWNTDOR-DOMZBBRYSA-N 1 3 326.441 -0.815 20 0 EBADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC(=O)NC1CC1 ZINC001129454504 828622620 /nfs/dbraw/zinc/62/26/20/828622620.db2.gz JVNKVRMUSSSWFH-MFKMUULPSA-N 1 3 339.440 -0.591 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535096 828632320 /nfs/dbraw/zinc/63/23/20/828632320.db2.gz IZUXWWCMUFHLTR-LBPRGKRZSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849630 828681528 /nfs/dbraw/zinc/68/15/28/828681528.db2.gz NWHVDXKWJCGRNM-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849630 828681530 /nfs/dbraw/zinc/68/15/30/828681530.db2.gz NWHVDXKWJCGRNM-STQMWFEESA-N 1 3 341.456 -0.199 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849424 828681755 /nfs/dbraw/zinc/68/17/55/828681755.db2.gz DXIMLBFWVRRPIB-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849424 828681759 /nfs/dbraw/zinc/68/17/59/828681759.db2.gz DXIMLBFWVRRPIB-AWEZNQCLSA-N 1 3 328.457 -0.281 20 0 EBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001129855465 828681435 /nfs/dbraw/zinc/68/14/35/828681435.db2.gz FCTMVJFWKHCORQ-ZDUSSCGKSA-N 1 3 339.440 -0.445 20 0 EBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001129855465 828681439 /nfs/dbraw/zinc/68/14/39/828681439.db2.gz FCTMVJFWKHCORQ-ZDUSSCGKSA-N 1 3 339.440 -0.445 20 0 EBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001129946994 828698867 /nfs/dbraw/zinc/69/88/67/828698867.db2.gz DPEPAPODKLRUEK-ZFWWWQNUSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001129949897 828699583 /nfs/dbraw/zinc/69/95/83/828699583.db2.gz JSXAPXSSIRHGHJ-ZDUSSCGKSA-N 1 3 343.472 -0.097 20 0 EBADHO COCCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983118 828707779 /nfs/dbraw/zinc/70/77/79/828707779.db2.gz NBZUMITVYBPKSL-KGLIPLIRSA-N 1 3 336.440 -0.392 20 0 EBADHO COCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086288 828730703 /nfs/dbraw/zinc/73/07/03/828730703.db2.gz UIUDUFXSAREPIW-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO COCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086288 828730708 /nfs/dbraw/zinc/73/07/08/828730708.db2.gz UIUDUFXSAREPIW-KFWWJZLASA-N 1 3 336.440 -0.392 20 0 EBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)N(C)C ZINC001130204852 828755164 /nfs/dbraw/zinc/75/51/64/828755164.db2.gz AYOATRFPCVEVHI-UKRRQHHQSA-N 1 3 331.457 -0.411 20 0 EBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001130427099 828832337 /nfs/dbraw/zinc/83/23/37/828832337.db2.gz IYUKXZUCFHMXHO-AWEZNQCLSA-N 1 3 345.484 -0.021 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617428 832994511 /nfs/dbraw/zinc/99/45/11/832994511.db2.gz FMSRHNMROQAXJN-WFASDCNBSA-N 1 3 337.424 -0.316 20 0 EBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114425649 826244142 /nfs/dbraw/zinc/24/41/42/826244142.db2.gz FJSJSWABJQFZRV-AIANPOQGSA-N 1 3 325.453 -0.084 20 0 EBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114425649 826244146 /nfs/dbraw/zinc/24/41/46/826244146.db2.gz FJSJSWABJQFZRV-AIANPOQGSA-N 1 3 325.453 -0.084 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925284 833026088 /nfs/dbraw/zinc/02/60/88/833026088.db2.gz OGQKURPLTCKAEW-XQQFMLRXSA-N 1 3 339.440 -0.637 20 0 EBADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925284 833026109 /nfs/dbraw/zinc/02/61/09/833026109.db2.gz OGQKURPLTCKAEW-XQQFMLRXSA-N 1 3 339.440 -0.637 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001179924911 833026325 /nfs/dbraw/zinc/02/63/25/833026325.db2.gz GQKMTVOCCGMZJW-MJBXVCDLSA-N 1 3 331.482 -0.048 20 0 EBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001179924911 833026333 /nfs/dbraw/zinc/02/63/33/833026333.db2.gz GQKMTVOCCGMZJW-MJBXVCDLSA-N 1 3 331.482 -0.048 20 0 EBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179929196 833027184 /nfs/dbraw/zinc/02/71/84/833027184.db2.gz GVOVPUYIMIVSLI-KBPBESRZSA-N 1 3 328.457 -0.378 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001115161842 826435829 /nfs/dbraw/zinc/43/58/29/826435829.db2.gz NTVNRRHNQBBPKK-QLPKVWCKSA-N 1 3 340.468 -0.473 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001115161842 826435832 /nfs/dbraw/zinc/43/58/32/826435832.db2.gz NTVNRRHNQBBPKK-QLPKVWCKSA-N 1 3 340.468 -0.473 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001180226974 833059874 /nfs/dbraw/zinc/05/98/74/833059874.db2.gz WLFXNWXEOCRGMI-KBPBESRZSA-N 1 3 348.513 -0.203 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115292751 826497871 /nfs/dbraw/zinc/49/78/71/826497871.db2.gz USCBUFYPMMYFJD-OEUWWYETSA-N 1 3 348.447 -0.286 20 0 EBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001118491460 826941852 /nfs/dbraw/zinc/94/18/52/826941852.db2.gz WFCRUSIYWFNEAO-BPLDGKMQSA-N 1 3 338.452 -0.448 20 0 EBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001120419758 827215706 /nfs/dbraw/zinc/21/57/06/827215706.db2.gz BOPSHVANJGBZLN-CABCVRRESA-N 1 3 339.484 -0.898 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181651391 833171235 /nfs/dbraw/zinc/17/12/35/833171235.db2.gz BUEUMDZJOYXTOD-KGLIPLIRSA-N 1 3 346.497 -0.400 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001121916737 827480679 /nfs/dbraw/zinc/48/06/79/827480679.db2.gz JAKIPFSAOVSSKG-MFOWVQHXSA-N 1 3 326.441 -0.855 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001127066738 828246773 /nfs/dbraw/zinc/24/67/73/828246773.db2.gz RSXHURWPWYSUGH-CABCVRRESA-N 1 3 340.468 -0.140 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001127066738 828246777 /nfs/dbraw/zinc/24/67/77/828246777.db2.gz RSXHURWPWYSUGH-CABCVRRESA-N 1 3 340.468 -0.140 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082434 828249503 /nfs/dbraw/zinc/24/95/03/828249503.db2.gz QQPWUIJWKHGLAD-CYBMUJFWSA-N 1 3 334.486 -0.496 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082434 828249507 /nfs/dbraw/zinc/24/95/07/828249507.db2.gz QQPWUIJWKHGLAD-CYBMUJFWSA-N 1 3 334.486 -0.496 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257198 828269553 /nfs/dbraw/zinc/26/95/53/828269553.db2.gz WGYPUHXWGNZQTM-STQMWFEESA-N 1 3 339.440 -0.588 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257198 828269558 /nfs/dbraw/zinc/26/95/58/828269558.db2.gz WGYPUHXWGNZQTM-STQMWFEESA-N 1 3 339.440 -0.588 20 0 EBADHO CC[C@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127570938 828303359 /nfs/dbraw/zinc/30/33/59/828303359.db2.gz GQYBSCKCHSFLEY-ILXRZTDVSA-N 1 3 340.468 -0.297 20 0 EBADHO C[NH+](C)CCn1ccc(C(=O)NCCNCC(=O)NCC2CC2)n1 ZINC001127575908 828303768 /nfs/dbraw/zinc/30/37/68/828303768.db2.gz DTIZLIYDOVSKFR-UHFFFAOYSA-N 1 3 336.440 -0.710 20 0 EBADHO CCCCNC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576651 828304839 /nfs/dbraw/zinc/30/48/39/828304839.db2.gz VLUYJUVZBWFEKV-UHFFFAOYSA-N 1 3 338.456 -0.320 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659445 828312478 /nfs/dbraw/zinc/31/24/78/828312478.db2.gz AWQOCZYGIAFLFD-RBSFLKMASA-N 1 3 342.484 -0.036 20 0 EBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659445 828312486 /nfs/dbraw/zinc/31/24/86/828312486.db2.gz AWQOCZYGIAFLFD-RBSFLKMASA-N 1 3 342.484 -0.036 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001127685211 828314499 /nfs/dbraw/zinc/31/44/99/828314499.db2.gz IENPRAKUPGTYHO-TZMCWYRMSA-N 1 3 326.441 -0.672 20 0 EBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001127685211 828314505 /nfs/dbraw/zinc/31/45/05/828314505.db2.gz IENPRAKUPGTYHO-TZMCWYRMSA-N 1 3 326.441 -0.672 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127760204 828319777 /nfs/dbraw/zinc/31/97/77/828319777.db2.gz GIMNJRPFMFPEQJ-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127760204 828319787 /nfs/dbraw/zinc/31/97/87/828319787.db2.gz GIMNJRPFMFPEQJ-HUUCEWRRSA-N 1 3 338.452 -0.434 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127777691 828324645 /nfs/dbraw/zinc/32/46/45/828324645.db2.gz BFYCJIXQQKCSOI-CABCVRRESA-N 1 3 349.435 -0.137 20 0 EBADHO COc1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127777691 828324652 /nfs/dbraw/zinc/32/46/52/828324652.db2.gz BFYCJIXQQKCSOI-CABCVRRESA-N 1 3 349.435 -0.137 20 0 EBADHO CN(CCC(=O)NCCN[C@H]1CCC(=O)NC1=O)c1cc[nH+]cc1 ZINC001130559016 828883635 /nfs/dbraw/zinc/88/36/35/828883635.db2.gz ZLVICHXROAVULA-ZDUSSCGKSA-N 1 3 333.392 -0.581 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130708803 828920042 /nfs/dbraw/zinc/92/00/42/828920042.db2.gz IPQLFDNPVVGWKG-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130708803 828920048 /nfs/dbraw/zinc/92/00/48/828920048.db2.gz IPQLFDNPVVGWKG-AWEZNQCLSA-N 1 3 348.513 -0.248 20 0 EBADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CCCC1 ZINC001184628297 833335942 /nfs/dbraw/zinc/33/59/42/833335942.db2.gz HYIATPIXAZTYKZ-GFCCVEGCSA-N 1 3 339.440 -0.364 20 0 EBADHO O=C(NCCNCCN1CCCS1(=O)=O)C12CCC[NH+]1CCC2 ZINC001130805582 828943603 /nfs/dbraw/zinc/94/36/03/828943603.db2.gz BUMBACRBYFOOBC-UHFFFAOYSA-N 1 3 344.481 -0.644 20 0 EBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265065 833353064 /nfs/dbraw/zinc/35/30/64/833353064.db2.gz LPIKWTBIJVXSJQ-CYBMUJFWSA-N 1 3 334.486 -0.542 20 0 EBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185650895 833365126 /nfs/dbraw/zinc/36/51/26/833365126.db2.gz QDGRWKXVNADDHQ-QWHCGFSZSA-N 1 3 332.470 -0.790 20 0 EBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446581 833358775 /nfs/dbraw/zinc/35/87/75/833358775.db2.gz OSVALECWOZDDTO-GDBMZVCRSA-N 1 3 342.484 -0.084 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185715905 833368028 /nfs/dbraw/zinc/36/80/28/833368028.db2.gz LABFDMQXRKKLTI-OLZOCXBDSA-N 1 3 341.456 -0.247 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCCC1 ZINC001131520267 829152668 /nfs/dbraw/zinc/15/26/68/829152668.db2.gz WJWREFAVFYCHPC-UUCFBXCCSA-N 1 3 336.436 -0.822 20 0 EBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCC1 ZINC001131520267 829152666 /nfs/dbraw/zinc/15/26/66/829152666.db2.gz WJWREFAVFYCHPC-UUCFBXCCSA-N 1 3 336.436 -0.822 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131608967 829162751 /nfs/dbraw/zinc/16/27/51/829162751.db2.gz RRJPFENGKLWBAU-PBHICJAKSA-N 1 3 340.468 -0.202 20 0 EBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CCN(CCOCCO)C2)O1 ZINC001131682360 829185064 /nfs/dbraw/zinc/18/50/64/829185064.db2.gz NOCTWYLVYKFBGT-WBVHZDCISA-N 1 3 343.468 -0.361 20 0 EBADHO CCOCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786081 829217533 /nfs/dbraw/zinc/21/75/33/829217533.db2.gz DRKRQQHWYISROJ-INIZCTEOSA-N 1 3 340.468 -0.281 20 0 EBADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001186081888 833388033 /nfs/dbraw/zinc/38/80/33/833388033.db2.gz CYSDUMKWCRUIJM-CQSZACIVSA-N 1 3 331.482 -0.047 20 0 EBADHO CC[C@H](C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)N(C)C ZINC001186409680 833400648 /nfs/dbraw/zinc/40/06/48/833400648.db2.gz BUSSJKTUPYKPGV-UONOGXRCSA-N 1 3 340.468 -0.343 20 0 EBADHO CC(C)(C(=O)NCCNCC(=O)NC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC001132283662 829406118 /nfs/dbraw/zinc/40/61/18/829406118.db2.gz BUIUYHBJMDQLGK-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO CC(C)(C(=O)NCCNCC(=O)NC(=O)NC1CC1)[NH+]1CCCC1 ZINC001132284167 829407020 /nfs/dbraw/zinc/40/70/20/829407020.db2.gz ZBUUYZYQVJRSHA-UHFFFAOYSA-N 1 3 339.440 -0.445 20 0 EBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001186554425 833405571 /nfs/dbraw/zinc/40/55/71/833405571.db2.gz DETRTGXGOQAPLH-CQSZACIVSA-N 1 3 346.497 -0.542 20 0 EBADHO COc1cncc(CNCCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC001132848771 829534947 /nfs/dbraw/zinc/53/49/47/829534947.db2.gz RGYAEOMOJPAPLF-AWEZNQCLSA-N 1 3 337.424 -0.200 20 0 EBADHO COc1cncc(CNCCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001132848771 829534953 /nfs/dbraw/zinc/53/49/53/829534953.db2.gz RGYAEOMOJPAPLF-AWEZNQCLSA-N 1 3 337.424 -0.200 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001132892851 829545627 /nfs/dbraw/zinc/54/56/27/829545627.db2.gz CQSPPSBQUGFVSR-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H]1CN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001132892851 829545631 /nfs/dbraw/zinc/54/56/31/829545631.db2.gz CQSPPSBQUGFVSR-KKUMJFAQSA-N 1 3 340.468 -0.330 20 0 EBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001133296891 829617785 /nfs/dbraw/zinc/61/77/85/829617785.db2.gz DBQOOQYYVMLQHJ-NSHDSACASA-N 1 3 329.445 -0.343 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133416026 829630284 /nfs/dbraw/zinc/63/02/84/829630284.db2.gz ZABXLCQICPQSQW-CYBMUJFWSA-N 1 3 329.445 -0.486 20 0 EBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133834379 829681848 /nfs/dbraw/zinc/68/18/48/829681848.db2.gz VXBISGXDKHLXFV-HUUCEWRRSA-N 1 3 343.468 -0.267 20 0 EBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001133845634 829684558 /nfs/dbraw/zinc/68/45/58/829684558.db2.gz KHJXRZKCWLWVBO-LLVKDONJSA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC(=O)NC2CC2)C1 ZINC001133845634 829684562 /nfs/dbraw/zinc/68/45/62/829684562.db2.gz KHJXRZKCWLWVBO-LLVKDONJSA-N 1 3 325.413 -0.978 20 0 EBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001133846352 829685371 /nfs/dbraw/zinc/68/53/71/829685371.db2.gz ZGLQBBCXGXCKRW-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC[C@H]2CCCO2)C1 ZINC001133846352 829685373 /nfs/dbraw/zinc/68/53/73/829685373.db2.gz ZGLQBBCXGXCKRW-UONOGXRCSA-N 1 3 326.441 -0.671 20 0 EBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001133846368 829685398 /nfs/dbraw/zinc/68/53/98/829685398.db2.gz ZLGWRWJIMKSLAJ-RYUDHWBXSA-N 1 3 341.374 -0.026 20 0 EBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001133846369 829685547 /nfs/dbraw/zinc/68/55/47/829685547.db2.gz ZLGWRWJIMKSLAJ-VXGBXAGGSA-N 1 3 341.374 -0.026 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849695 829686442 /nfs/dbraw/zinc/68/64/42/829686442.db2.gz BYNSHUMHCPMAKC-HNNXBMFYSA-N 1 3 345.419 -0.640 20 0 EBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133849695 829686446 /nfs/dbraw/zinc/68/64/46/829686446.db2.gz BYNSHUMHCPMAKC-HNNXBMFYSA-N 1 3 345.419 -0.640 20 0 EBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896889 829695004 /nfs/dbraw/zinc/69/50/04/829695004.db2.gz TWABQECICPWPIA-UHFFFAOYSA-N 1 3 348.513 -0.247 20 0 EBADHO C[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134758118 829840575 /nfs/dbraw/zinc/84/05/75/829840575.db2.gz WMDRQSJKNHDJDA-CQSZACIVSA-N 1 3 348.513 -0.152 20 0 EBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001134767485 829841326 /nfs/dbraw/zinc/84/13/26/829841326.db2.gz YPELOFGULHMZLI-ZDUSSCGKSA-N 1 3 334.486 -0.496 20 0 EBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001134767485 829841333 /nfs/dbraw/zinc/84/13/33/829841333.db2.gz YPELOFGULHMZLI-ZDUSSCGKSA-N 1 3 334.486 -0.496 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776250 829844311 /nfs/dbraw/zinc/84/43/11/829844311.db2.gz OKHVEWNFVUSFFC-GFCCVEGCSA-N 1 3 341.456 -0.342 20 0 EBADHO COCCCNC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780421 829844783 /nfs/dbraw/zinc/84/47/83/829844783.db2.gz GCEGYKOHNZNMSX-UHFFFAOYSA-N 1 3 328.457 -0.423 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103226 829898373 /nfs/dbraw/zinc/89/83/73/829898373.db2.gz YBDUEGXDDHHFEU-OLZOCXBDSA-N 1 3 332.470 -0.742 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103226 829898377 /nfs/dbraw/zinc/89/83/77/829898377.db2.gz YBDUEGXDDHHFEU-OLZOCXBDSA-N 1 3 332.470 -0.742 20 0 EBADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474575 829973427 /nfs/dbraw/zinc/97/34/27/829973427.db2.gz UNVHFPYPBBGULX-OLZOCXBDSA-N 1 3 343.472 -0.097 20 0 EBADHO CC[NH+](CC)[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C(C)C ZINC001135474381 829973467 /nfs/dbraw/zinc/97/34/67/829973467.db2.gz OTYKYPXEBGGWQF-CYBMUJFWSA-N 1 3 336.502 -0.392 20 0 EBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001135511554 829978830 /nfs/dbraw/zinc/97/88/30/829978830.db2.gz SNSOYILZWBIMPH-ZDUSSCGKSA-N 1 3 334.486 -0.685 20 0 EBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744161 830018698 /nfs/dbraw/zinc/01/86/98/830018698.db2.gz XATKWROGWOZOCL-RYUDHWBXSA-N 1 3 329.445 -0.343 20 0 EBADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978961 830056454 /nfs/dbraw/zinc/05/64/54/830056454.db2.gz AACNVEYGQATGRI-QWHCGFSZSA-N 1 3 341.456 -0.247 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001211278548 837421122 /nfs/dbraw/zinc/42/11/22/837421122.db2.gz RVLBLUFEUWCZQH-CQSZACIVSA-N 1 3 325.457 -0.068 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001211278525 837421766 /nfs/dbraw/zinc/42/17/66/837421766.db2.gz RVLBLUFEUWCZQH-AWEZNQCLSA-N 1 3 325.457 -0.068 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146710775 830222762 /nfs/dbraw/zinc/22/27/62/830222762.db2.gz NFWADHJTRSSARL-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146710775 830222767 /nfs/dbraw/zinc/22/27/67/830222767.db2.gz NFWADHJTRSSARL-UHFFFAOYSA-N 1 3 329.445 -0.340 20 0 EBADHO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725095 830403000 /nfs/dbraw/zinc/40/30/00/830403000.db2.gz SEZOVFBJCHHYEZ-HUUCEWRRSA-N 1 3 325.453 -0.132 20 0 EBADHO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725095 830403004 /nfs/dbraw/zinc/40/30/04/830403004.db2.gz SEZOVFBJCHHYEZ-HUUCEWRRSA-N 1 3 325.453 -0.132 20 0 EBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC(C1CC1)C1CC1 ZINC001147847905 830420925 /nfs/dbraw/zinc/42/09/25/830420925.db2.gz AAMSAKSVMHALQU-UHFFFAOYSA-N 1 3 340.468 -0.425 20 0 EBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001147878083 830424621 /nfs/dbraw/zinc/42/46/21/830424621.db2.gz RKRWOIGNABUJNZ-AWEZNQCLSA-N 1 3 333.436 -0.255 20 0 EBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001147878083 830424624 /nfs/dbraw/zinc/42/46/24/830424624.db2.gz RKRWOIGNABUJNZ-AWEZNQCLSA-N 1 3 333.436 -0.255 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147891519 830426562 /nfs/dbraw/zinc/42/65/62/830426562.db2.gz BBUHMLXYHFQJJL-UHFFFAOYSA-N 1 3 346.472 -0.798 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147899854 830427928 /nfs/dbraw/zinc/42/79/28/830427928.db2.gz APKLSRWCMJXJFE-HNNXBMFYSA-N 1 3 342.484 -0.035 20 0 EBADHO CC(C)OCCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147899854 830427932 /nfs/dbraw/zinc/42/79/32/830427932.db2.gz APKLSRWCMJXJFE-HNNXBMFYSA-N 1 3 342.484 -0.035 20 0 EBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999814 830437035 /nfs/dbraw/zinc/43/70/35/830437035.db2.gz DTGBSGCDNNHKBJ-CYBMUJFWSA-N 1 3 326.441 -0.671 20 0 EBADHO CCC[N@H+](C)CCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001148577806 830512290 /nfs/dbraw/zinc/51/22/90/830512290.db2.gz DUXIRMVRTMJLDZ-UHFFFAOYSA-N 1 3 339.440 -0.978 20 0 EBADHO CCC[N@@H+](C)CCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001148577806 830512302 /nfs/dbraw/zinc/51/23/02/830512302.db2.gz DUXIRMVRTMJLDZ-UHFFFAOYSA-N 1 3 339.440 -0.978 20 0 EBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219274 830842068 /nfs/dbraw/zinc/84/20/68/830842068.db2.gz NUEDBTZBFQXHDZ-CVEARBPZSA-N 1 3 343.468 -0.457 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219277 830842133 /nfs/dbraw/zinc/84/21/33/830842133.db2.gz NUEDBTZBFQXHDZ-JKSUJKDBSA-N 1 3 343.468 -0.457 20 0 EBADHO COC[C@@H](C)N1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587749 830939085 /nfs/dbraw/zinc/93/90/85/830939085.db2.gz JPBHQFARCLTWET-CABCVRRESA-N 1 3 331.457 -0.193 20 0 EBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606025 830943851 /nfs/dbraw/zinc/94/38/51/830943851.db2.gz ASCGWDROUPUUFQ-JKSUJKDBSA-N 1 3 345.484 -0.067 20 0 EBADHO COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779230 830982867 /nfs/dbraw/zinc/98/28/67/830982867.db2.gz QKTGTRYOSOILKF-GJZGRUSLSA-N 1 3 331.457 -0.459 20 0 EBADHO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779230 830982871 /nfs/dbraw/zinc/98/28/71/830982871.db2.gz QKTGTRYOSOILKF-GJZGRUSLSA-N 1 3 331.457 -0.459 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066766 831020677 /nfs/dbraw/zinc/02/06/77/831020677.db2.gz YOKBPHQSYBZFKG-GFCCVEGCSA-N 1 3 327.429 -0.874 20 0 EBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066766 831020683 /nfs/dbraw/zinc/02/06/83/831020683.db2.gz YOKBPHQSYBZFKG-GFCCVEGCSA-N 1 3 327.429 -0.874 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073845 831021743 /nfs/dbraw/zinc/02/17/43/831021743.db2.gz QWKHVSTVMNCNQC-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073845 831021748 /nfs/dbraw/zinc/02/17/48/831021748.db2.gz QWKHVSTVMNCNQC-GFCCVEGCSA-N 1 3 327.429 -0.730 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152147404 831133612 /nfs/dbraw/zinc/13/36/12/831133612.db2.gz NAGOINNJACSEBD-TXEJJXNPSA-N 1 3 327.429 -0.589 20 0 EBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152147404 831133618 /nfs/dbraw/zinc/13/36/18/831133618.db2.gz NAGOINNJACSEBD-TXEJJXNPSA-N 1 3 327.429 -0.589 20 0 EBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224003 831143928 /nfs/dbraw/zinc/14/39/28/831143928.db2.gz QDCVGYVAQWABIK-UHFFFAOYSA-N 1 3 341.456 -0.196 20 0 EBADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152384639 831156453 /nfs/dbraw/zinc/15/64/53/831156453.db2.gz VKFNOLNUJRKQHB-UHFFFAOYSA-N 1 3 347.419 -0.381 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001152446465 831164141 /nfs/dbraw/zinc/16/41/41/831164141.db2.gz ZCBKSPHFUWYJRV-UONOGXRCSA-N 1 3 328.457 -0.284 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001152445899 831164274 /nfs/dbraw/zinc/16/42/74/831164274.db2.gz QRQZVMPOQMVFEI-HUUCEWRRSA-N 1 3 331.457 -0.411 20 0 EBADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001152445587 831164384 /nfs/dbraw/zinc/16/43/84/831164384.db2.gz KBFFHWOIGPXGNT-NSHDSACASA-N 1 3 327.429 -0.591 20 0 EBADHO CS(=O)(=O)NCCNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314558 831221660 /nfs/dbraw/zinc/22/16/60/831221660.db2.gz NMDILFDGKBEMBF-UHFFFAOYSA-N 1 3 334.486 -0.493 20 0 EBADHO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155790645 831430016 /nfs/dbraw/zinc/43/00/16/831430016.db2.gz LAWZFVOVJZDCDM-LBPRGKRZSA-N 1 3 327.429 -0.588 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001155822084 831433791 /nfs/dbraw/zinc/43/37/91/831433791.db2.gz HZXOCGPSONMPJI-ZIAGYGMSSA-N 1 3 326.441 -0.671 20 0 EBADHO O=C([C@H]1CCCO1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157497047 831571768 /nfs/dbraw/zinc/57/17/68/831571768.db2.gz NXQQMRZZYXRWMA-CKEIUWERSA-N 1 3 336.436 -0.965 20 0 EBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001157717013 831586667 /nfs/dbraw/zinc/58/66/67/831586667.db2.gz WFTRXPPWCRIODZ-WPKBUWHJSA-N 1 3 344.415 -0.457 20 0 EBADHO CN(C[C@H]1CNCCO1)C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715650 831587169 /nfs/dbraw/zinc/58/71/69/831587169.db2.gz HSMKYFXRUXJZDV-ZIAGYGMSSA-N 1 3 333.436 -0.419 20 0 EBADHO [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001157740974 831589195 /nfs/dbraw/zinc/58/91/95/831589195.db2.gz RLBPZRYHMVWSNP-WCQYABFASA-N 1 3 333.429 -0.557 20 0 EBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001158008080 831618722 /nfs/dbraw/zinc/61/87/22/831618722.db2.gz YBQABRLSPGWDNH-UONOGXRCSA-N 1 3 328.457 -0.155 20 0 EBADHO COc1cccc([C@H](N)CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c1 ZINC001158100980 831628101 /nfs/dbraw/zinc/62/81/01/831628101.db2.gz FAEOAHIPWPNATL-PBHICJAKSA-N 1 3 332.404 -0.224 20 0 EBADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118759 831629833 /nfs/dbraw/zinc/62/98/33/831629833.db2.gz DFGYYWHBRFZLBF-FSPWUOQZSA-N 1 3 348.447 -0.917 20 0 EBADHO O=C(c1ccc2c(c1)CNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120602 831631108 /nfs/dbraw/zinc/63/11/08/831631108.db2.gz RGHXWOQENFDVDA-GOSISDBHSA-N 1 3 326.400 -0.159 20 0 EBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162048 831633304 /nfs/dbraw/zinc/63/33/04/831633304.db2.gz TVJJSHBDRHUPOH-JSGCOSHPSA-N 1 3 327.450 -0.492 20 0 EBADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158236277 831639907 /nfs/dbraw/zinc/63/99/07/831639907.db2.gz ZPFCNHBMIQEKAX-DCGLDWPTSA-N 1 3 337.420 -0.491 20 0 EBADHO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158236277 831639908 /nfs/dbraw/zinc/63/99/08/831639908.db2.gz ZPFCNHBMIQEKAX-DCGLDWPTSA-N 1 3 337.420 -0.491 20 0 EBADHO N[C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CCOCC1 ZINC001158276668 831642839 /nfs/dbraw/zinc/64/28/39/831642839.db2.gz CNDQGEZGQACUNF-AWEZNQCLSA-N 1 3 334.424 -0.547 20 0 EBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001159155509 831712399 /nfs/dbraw/zinc/71/23/99/831712399.db2.gz PAPIKLIMQZBPSH-CQSZACIVSA-N 1 3 348.463 -0.085 20 0 EBADHO O=C([C@@H]1C[NH2+]CCN1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159158578 831714032 /nfs/dbraw/zinc/71/40/32/831714032.db2.gz PJNLAQSXOCIBSG-HNNXBMFYSA-N 1 3 332.452 -0.575 20 0 EBADHO CCOC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2cnn(C)c21 ZINC001159393692 831748748 /nfs/dbraw/zinc/74/87/48/831748748.db2.gz IJRGYJSMOVPHFX-KGLIPLIRSA-N 1 3 333.436 -0.309 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159641875 831767906 /nfs/dbraw/zinc/76/79/06/831767906.db2.gz CQHCPJZRLAWJEF-AWEZNQCLSA-N 1 3 331.424 -0.421 20 0 EBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664416 831770670 /nfs/dbraw/zinc/77/06/70/831770670.db2.gz DPAFOXIHNXYLMZ-NCOADZHNSA-N 1 3 345.447 -0.570 20 0 EBADHO O=C([C@@H]1C[NH2+]CCN1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666000 831770830 /nfs/dbraw/zinc/77/08/30/831770830.db2.gz NPOKSLZBMVIOIY-IKGGRYGDSA-N 1 3 345.447 -0.555 20 0 EBADHO [NH3+]C[C@H](O)CC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668588 831771507 /nfs/dbraw/zinc/77/15/07/831771507.db2.gz YNDJLNKBQVNBGX-XHSDSOJGSA-N 1 3 334.420 -0.407 20 0 EBADHO CN(C)C1(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CCC1 ZINC001159854881 831788649 /nfs/dbraw/zinc/78/86/49/831788649.db2.gz VPNGSWKRQFWPNP-UHFFFAOYSA-N 1 3 346.497 -0.398 20 0 EBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001159916773 831796496 /nfs/dbraw/zinc/79/64/96/831796496.db2.gz SHPIWCFRLXGYHR-HNNXBMFYSA-N 1 3 334.424 -0.149 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)C1CC1 ZINC001159914554 831796703 /nfs/dbraw/zinc/79/67/03/831796703.db2.gz DYHOYJSBJBTFTF-MRXNPFEDSA-N 1 3 340.468 -0.282 20 0 EBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001159915351 831796789 /nfs/dbraw/zinc/79/67/89/831796789.db2.gz JPAIWNUBMHSSKI-CQSZACIVSA-N 1 3 346.497 -0.542 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914652 831797051 /nfs/dbraw/zinc/79/70/51/831797051.db2.gz FHEZYOYDYXFOAU-YPMHNXCESA-N 1 3 341.456 -0.343 20 0 EBADHO O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001159930857 831799737 /nfs/dbraw/zinc/79/97/37/831799737.db2.gz YDGGKMRNBJDCHC-HZEYSBKDSA-N 1 3 344.415 -0.304 20 0 EBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]2C1 ZINC001159998895 831804624 /nfs/dbraw/zinc/80/46/24/831804624.db2.gz NMPQDESZWVZUNA-AGIUHOORSA-N 1 3 332.470 -0.675 20 0 EBADHO O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001160121414 831817401 /nfs/dbraw/zinc/81/74/01/831817401.db2.gz WTVYTIWIBLOUDX-BFHYXJOUSA-N 1 3 344.415 -0.239 20 0 EBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CCO2 ZINC001160179502 831822774 /nfs/dbraw/zinc/82/27/74/831822774.db2.gz LNKYLLTUULVMHF-DOTOQJQBSA-N 1 3 338.452 -0.447 20 0 EBADHO Cn1cc(N2C[C@@H]3CN(C(=O)[C@H](N)C4CC[NH2+]CC4)C[C@@H]3C2=O)cn1 ZINC001160216155 831826534 /nfs/dbraw/zinc/82/65/34/831826534.db2.gz AOSGSAKUGNBDKG-AEGPPILISA-N 1 3 346.435 -0.832 20 0 EBADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414829 831846125 /nfs/dbraw/zinc/84/61/25/831846125.db2.gz DJVGUUCTRXTALG-PBHICJAKSA-N 1 3 346.435 -0.112 20 0 EBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C ZINC001160426774 831847853 /nfs/dbraw/zinc/84/78/53/831847853.db2.gz JNHJYZCCIFIJNE-HOCLYGCPSA-N 1 3 342.484 -0.084 20 0 EBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001160695837 831878773 /nfs/dbraw/zinc/87/87/73/831878773.db2.gz RAZIPALHDLSFGE-KGLIPLIRSA-N 1 3 348.451 -0.228 20 0 EBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716044 831880083 /nfs/dbraw/zinc/88/00/83/831880083.db2.gz OIKUMHBQYUIBQC-JTQLQIEISA-N 1 3 328.438 -0.949 20 0 EBADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001160746856 831881921 /nfs/dbraw/zinc/88/19/21/831881921.db2.gz OCKRHJISOGJQCD-DZGCQCFKSA-N 1 3 326.441 -0.543 20 0 EBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766034 831884943 /nfs/dbraw/zinc/88/49/43/831884943.db2.gz HQWNCUMQTXLIIO-ZNMIVQPWSA-N 1 3 344.415 -0.304 20 0 EBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805336 831888212 /nfs/dbraw/zinc/88/82/12/831888212.db2.gz ARZYUHRTIKYCJE-INIZCTEOSA-N 1 3 346.479 -0.129 20 0 EBADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CCC(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001160812075 831890252 /nfs/dbraw/zinc/89/02/52/831890252.db2.gz ZPZDPCZMYIFNDB-BFQNTYOBSA-N 1 3 341.408 -0.732 20 0 EBADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160823305 831891114 /nfs/dbraw/zinc/89/11/14/831891114.db2.gz FPQLZZAJPWALAR-PIGZYNQJSA-N 1 3 348.403 -0.065 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001160883976 831903036 /nfs/dbraw/zinc/90/30/36/831903036.db2.gz ZXQQOYAKSWGLKF-GFCCVEGCSA-N 1 3 327.429 -0.589 20 0 EBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC)N(C)C ZINC001160889122 831904031 /nfs/dbraw/zinc/90/40/31/831904031.db2.gz DUKKTKRUWYSCNQ-UONOGXRCSA-N 1 3 330.473 -0.036 20 0 EBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)COC1(C)C ZINC001160916498 831906060 /nfs/dbraw/zinc/90/60/60/831906060.db2.gz YWKLAGPZAVDCTP-JQWIXIFHSA-N 1 3 348.407 -0.908 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009341 831913673 /nfs/dbraw/zinc/91/36/73/831913673.db2.gz UTKYVGIRKQQXKJ-UONOGXRCSA-N 1 3 326.441 -0.665 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)CC2)ncn1 ZINC001161093177 831923349 /nfs/dbraw/zinc/92/33/49/831923349.db2.gz JLBLCXMNPNHTAF-HNNXBMFYSA-N 1 3 334.424 -0.539 20 0 EBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1Cc2ccnn2CC[C@H]1CO ZINC001161172913 831934483 /nfs/dbraw/zinc/93/44/83/831934483.db2.gz VOIRNYKBPWXNRS-GJZGRUSLSA-N 1 3 333.436 -0.150 20 0 EBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1Cc2ccnn2CC[C@H]1CO ZINC001161172913 831934487 /nfs/dbraw/zinc/93/44/87/831934487.db2.gz VOIRNYKBPWXNRS-GJZGRUSLSA-N 1 3 333.436 -0.150 20 0 EBADHO COc1cc(N2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)ccn1 ZINC001161305842 831946000 /nfs/dbraw/zinc/94/60/00/831946000.db2.gz ASUUYEOUXXGBCI-ZDUSSCGKSA-N 1 3 339.465 -0.242 20 0 EBADHO Cc1cc(O[C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)ncn1 ZINC001161310062 831946991 /nfs/dbraw/zinc/94/69/91/831946991.db2.gz XLEYQNILSRPHRR-KBPBESRZSA-N 1 3 331.420 -0.036 20 0 EBADHO CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC001161333434 831948843 /nfs/dbraw/zinc/94/88/43/831948843.db2.gz UKHDOQOIVBCFGE-KGLIPLIRSA-N 1 3 348.451 -0.086 20 0 EBADHO CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)[C@H]1CCC[NH2+]C1 ZINC001161333433 831948886 /nfs/dbraw/zinc/94/88/86/831948886.db2.gz UKHDOQOIVBCFGE-KBPBESRZSA-N 1 3 348.451 -0.086 20 0 EBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381111 831951259 /nfs/dbraw/zinc/95/12/59/831951259.db2.gz MOOKBSIQMWKEEV-HOTGVXAUSA-N 1 3 339.484 -0.356 20 0 EBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476789 831962314 /nfs/dbraw/zinc/96/23/14/831962314.db2.gz DPJLADLOEHAMHV-PGUXBMHVSA-N 1 3 327.381 -0.980 20 0 EBADHO Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162871934 832067146 /nfs/dbraw/zinc/06/71/46/832067146.db2.gz BEXNSPWVWPUDPQ-GULBITTBSA-N 1 3 333.436 -0.121 20 0 EBADHO O=C(NCCC[NH2+][C@H]1CCCNC1=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872380 832069295 /nfs/dbraw/zinc/06/92/95/832069295.db2.gz QDLRRDNFEZNTKB-CWVKQELPSA-N 1 3 336.436 -0.776 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001166010122 832245825 /nfs/dbraw/zinc/24/58/25/832245825.db2.gz IGPIQQCGSNVJAD-CQSZACIVSA-N 1 3 348.513 -0.296 20 0 EBADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001166010915 832246071 /nfs/dbraw/zinc/24/60/71/832246071.db2.gz VIMFORYGMSXXRI-LSDHHAIUSA-N 1 3 325.457 -0.074 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633846 832275841 /nfs/dbraw/zinc/27/58/41/832275841.db2.gz KWDKHVLBLXYHEC-OLZOCXBDSA-N 1 3 341.456 -0.199 20 0 EBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166676674 832278531 /nfs/dbraw/zinc/27/85/31/832278531.db2.gz AYGDKPNFJBTBES-LSDHHAIUSA-N 1 3 331.457 -0.552 20 0 EBADHO CC[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001166852784 832293605 /nfs/dbraw/zinc/29/36/05/832293605.db2.gz WQZAUIOJRZQXLY-LBPRGKRZSA-N 1 3 341.456 -0.247 20 0 EBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626694 832360282 /nfs/dbraw/zinc/36/02/82/832360282.db2.gz FMIGCSVFCYNCPQ-ZDUSSCGKSA-N 1 3 341.456 -0.199 20 0 EBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001168762517 832434236 /nfs/dbraw/zinc/43/42/36/832434236.db2.gz DSEZXMSLWLJNHX-CQSZACIVSA-N 1 3 330.473 -0.035 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168747108 832434339 /nfs/dbraw/zinc/43/43/39/832434339.db2.gz FHLVKQCQVOFNOH-GFCCVEGCSA-N 1 3 329.445 -0.342 20 0 EBADHO NCc1cnnn1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001169311122 832457397 /nfs/dbraw/zinc/45/73/97/832457397.db2.gz CEYMZPDKJXOMFW-UHFFFAOYSA-N 1 3 336.421 -0.244 20 0 EBADHO COc1ccc(CNCCCNC(=O)COCC[NH+](C)C)nn1 ZINC001171205847 832550787 /nfs/dbraw/zinc/55/07/87/832550787.db2.gz YEEYVCZZCPGKGV-UHFFFAOYSA-N 1 3 325.413 -0.341 20 0 EBADHO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001171261229 832554892 /nfs/dbraw/zinc/55/48/92/832554892.db2.gz RYJXTWDPFQYPNQ-GFCCVEGCSA-N 1 3 341.456 -0.070 20 0 EBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971707 832722397 /nfs/dbraw/zinc/72/23/97/832722397.db2.gz FXOWFOLTGOMSQX-HUUCEWRRSA-N 1 3 333.473 -0.165 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178357252 832854415 /nfs/dbraw/zinc/85/44/15/832854415.db2.gz YKIKEKBSHWICIR-RWMBFGLXSA-N 1 3 339.440 -0.495 20 0 EBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179434883 832978210 /nfs/dbraw/zinc/97/82/10/832978210.db2.gz BJSBHQWYXZDWQV-STQMWFEESA-N 1 3 341.456 -0.247 20 0 EBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001187283922 833915778 /nfs/dbraw/zinc/91/57/78/833915778.db2.gz FHKQTVCGLDSQGL-OAHLLOKOSA-N 1 3 340.468 -0.186 20 0 EBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001188106784 834004035 /nfs/dbraw/zinc/00/40/35/834004035.db2.gz WPHWSSIAXFGSCC-ZIAGYGMSSA-N 1 3 336.436 -0.142 20 0 EBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001188145727 834013282 /nfs/dbraw/zinc/01/32/82/834013282.db2.gz LQWNPGFENJGEEL-CQSZACIVSA-N 1 3 326.441 -0.624 20 0 EBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158014 834014643 /nfs/dbraw/zinc/01/46/43/834014643.db2.gz CWXGFKYSTZIKQT-OAHLLOKOSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189659581 834177074 /nfs/dbraw/zinc/17/70/74/834177074.db2.gz DIYOUIRSNAKXJN-BFHYXJOUSA-N 1 3 336.436 -0.334 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189659581 834177078 /nfs/dbraw/zinc/17/70/78/834177078.db2.gz DIYOUIRSNAKXJN-BFHYXJOUSA-N 1 3 336.436 -0.334 20 0 EBADHO COCCOCCN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802460 834193000 /nfs/dbraw/zinc/19/30/00/834193000.db2.gz ZTERRAUEAKBPPF-JKSUJKDBSA-N 1 3 343.468 -0.240 20 0 EBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001200634867 835999107 /nfs/dbraw/zinc/99/91/07/835999107.db2.gz NAOGJGUUWYEBPI-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001200634867 835999114 /nfs/dbraw/zinc/99/91/14/835999114.db2.gz NAOGJGUUWYEBPI-GJZGRUSLSA-N 1 3 340.468 -0.186 20 0 EBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001200687442 836014526 /nfs/dbraw/zinc/01/45/26/836014526.db2.gz BEIKONNQMZQQLZ-HUUCEWRRSA-N 1 3 340.468 -0.343 20 0 EBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001200687442 836014540 /nfs/dbraw/zinc/01/45/40/836014540.db2.gz BEIKONNQMZQQLZ-HUUCEWRRSA-N 1 3 340.468 -0.343 20 0 EBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001200687443 836014614 /nfs/dbraw/zinc/01/46/14/836014614.db2.gz BEIKONNQMZQQLZ-LSDHHAIUSA-N 1 3 340.468 -0.343 20 0 EBADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001200687443 836014625 /nfs/dbraw/zinc/01/46/25/836014625.db2.gz BEIKONNQMZQQLZ-LSDHHAIUSA-N 1 3 340.468 -0.343 20 0 EBADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1)C(N)=O ZINC001200705255 836021293 /nfs/dbraw/zinc/02/12/93/836021293.db2.gz WSAHQHRQXYXTGS-HUUCEWRRSA-N 1 3 340.468 -0.058 20 0 EBADHO CC(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)N(C)C ZINC001200738924 836028053 /nfs/dbraw/zinc/02/80/53/836028053.db2.gz ZRZFFRUPWJWAIX-HOTGVXAUSA-N 1 3 345.484 -0.211 20 0 EBADHO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCCO1 ZINC001200736953 836028346 /nfs/dbraw/zinc/02/83/46/836028346.db2.gz HUDUTJNEJOYDBE-JYJNAYRXSA-N 1 3 345.484 -0.213 20 0 EBADHO CN(CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001201066234 836087279 /nfs/dbraw/zinc/08/72/79/836087279.db2.gz IUZBJFMJQVMWOL-UHFFFAOYSA-N 1 3 325.413 -0.754 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277618 836121772 /nfs/dbraw/zinc/12/17/72/836121772.db2.gz VVNLCNOSWNBGBD-UONOGXRCSA-N 1 3 328.457 -0.330 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201310200 836127010 /nfs/dbraw/zinc/12/70/10/836127010.db2.gz YDLOVXWWKYJVGH-OCCSQVGLSA-N 1 3 326.441 -0.591 20 0 EBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001201412347 836143524 /nfs/dbraw/zinc/14/35/24/836143524.db2.gz ZJYMIYIQJIKKAU-GJZGRUSLSA-N 1 3 338.456 -0.175 20 0 EBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201679344 836175980 /nfs/dbraw/zinc/17/59/80/836175980.db2.gz WHJHENNEQORYCM-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201679330 836176364 /nfs/dbraw/zinc/17/63/64/836176364.db2.gz WBPMHULKRPQMTQ-CQSZACIVSA-N 1 3 328.457 -0.329 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001201808201 836195309 /nfs/dbraw/zinc/19/53/09/836195309.db2.gz BLVQHYGPVFMITQ-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001201808201 836195315 /nfs/dbraw/zinc/19/53/15/836195315.db2.gz BLVQHYGPVFMITQ-KBPBESRZSA-N 1 3 328.457 -0.330 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001201808972 836195816 /nfs/dbraw/zinc/19/58/16/836195816.db2.gz IUGVAMJHNLSXOJ-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001201808972 836195818 /nfs/dbraw/zinc/19/58/18/836195818.db2.gz IUGVAMJHNLSXOJ-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001201924443 836216285 /nfs/dbraw/zinc/21/62/85/836216285.db2.gz LTKXMVKLIDCUSB-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001201924443 836216293 /nfs/dbraw/zinc/21/62/93/836216293.db2.gz LTKXMVKLIDCUSB-KGLIPLIRSA-N 1 3 328.457 -0.201 20 0 EBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201930570 836217340 /nfs/dbraw/zinc/21/73/40/836217340.db2.gz DGBKUAYNXGVZLH-ZIAGYGMSSA-N 1 3 326.441 -0.576 20 0 EBADHO CC(C)[C@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001202148262 836263338 /nfs/dbraw/zinc/26/33/38/836263338.db2.gz SRQGCRVFHUKITL-GOEBONIOSA-N 1 3 340.468 -0.201 20 0 EBADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1)C(N)=O ZINC001202148647 836263412 /nfs/dbraw/zinc/26/34/12/836263412.db2.gz YPSYBZGDHPYECG-HUUCEWRRSA-N 1 3 340.468 -0.057 20 0 EBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162828 836264833 /nfs/dbraw/zinc/26/48/33/836264833.db2.gz AEFOHPLXIBMARF-ZIAGYGMSSA-N 1 3 328.457 -0.332 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001202353341 836293115 /nfs/dbraw/zinc/29/31/15/836293115.db2.gz JRUGZJXPRADIGL-CYBMUJFWSA-N 1 3 327.429 -0.652 20 0 EBADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1)N(C)C ZINC001202354252 836293704 /nfs/dbraw/zinc/29/37/04/836293704.db2.gz XFDMJPVWKLEGMH-WCQYABFASA-N 1 3 341.456 -0.263 20 0 EBADHO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669063 836333394 /nfs/dbraw/zinc/33/33/94/836333394.db2.gz WHWLMLZGXBYBFD-UHFFFAOYSA-N 1 3 329.426 -0.918 20 0 EBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NC[C@H]1CCOC1 ZINC001202673094 836335585 /nfs/dbraw/zinc/33/55/85/836335585.db2.gz FTCSIWXLPHHURC-CYBMUJFWSA-N 1 3 349.435 -0.315 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001206954760 836727777 /nfs/dbraw/zinc/72/77/77/836727777.db2.gz WBXMIMBOVLLVBK-AWEZNQCLSA-N 1 3 338.452 -0.040 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313699 837154607 /nfs/dbraw/zinc/15/46/07/837154607.db2.gz GCUAXSYPIDQHFM-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323798 837155868 /nfs/dbraw/zinc/15/58/68/837155868.db2.gz MLYMEGLGPXHOHP-CYBMUJFWSA-N 1 3 341.456 -0.246 20 0 EBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209643701 837185367 /nfs/dbraw/zinc/18/53/67/837185367.db2.gz VOGBGKBWLYHABR-NEPJUHHUSA-N 1 3 325.413 -0.896 20 0 EBADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001210282790 837265183 /nfs/dbraw/zinc/26/51/83/837265183.db2.gz KCKKRLDPSRSIHZ-CYBMUJFWSA-N 1 3 339.440 -0.506 20 0 EBADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338545 837272893 /nfs/dbraw/zinc/27/28/93/837272893.db2.gz FYZZAGTTXLFBNM-KGLIPLIRSA-N 1 3 340.468 -0.188 20 0 EBADHO CN(C(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210669457 837317043 /nfs/dbraw/zinc/31/70/43/837317043.db2.gz XSCZNUKMDKEOOC-AWEZNQCLSA-N 1 3 340.468 -0.234 20 0 EBADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676671 837318147 /nfs/dbraw/zinc/31/81/47/837318147.db2.gz HHSGZOYGSFAMFJ-CQSZACIVSA-N 1 3 328.457 -0.377 20 0 EBADHO CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCCN1C ZINC001320694470 838818684 /nfs/dbraw/zinc/81/86/84/838818684.db2.gz MWWQMJMVBLKKHA-AWEZNQCLSA-N 1 3 346.497 -0.446 20 0 EBADHO CCN(CCNCCNS(C)(=O)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001320783431 838837140 /nfs/dbraw/zinc/83/71/40/838837140.db2.gz ZYJPHJDRCRMBGL-UHFFFAOYSA-N 1 3 346.497 -0.398 20 0 EBADHO CNC(=O)CNCCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001326121322 840040367 /nfs/dbraw/zinc/04/03/67/840040367.db2.gz IFBYIBFUUJOKKF-UHFFFAOYSA-N 1 3 328.457 -0.737 20 0 EBADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001326364341 840092178 /nfs/dbraw/zinc/09/21/78/840092178.db2.gz JKOLCTUHIUZFPL-NEPJUHHUSA-N 1 3 327.429 -0.650 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCCS(C)(=O)=O)C1 ZINC001327049579 840286646 /nfs/dbraw/zinc/28/66/46/840286646.db2.gz SKRFOQCJWGWTNX-ZDUSSCGKSA-N 1 3 335.470 -0.810 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCCS(C)(=O)=O)C1 ZINC001327049579 840286654 /nfs/dbraw/zinc/28/66/54/840286654.db2.gz SKRFOQCJWGWTNX-ZDUSSCGKSA-N 1 3 335.470 -0.810 20 0 EBADHO CN1CCN(CCCCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001328578495 840709247 /nfs/dbraw/zinc/70/92/47/840709247.db2.gz UQMTZVQRSNITLX-UHFFFAOYSA-N 1 3 337.472 -0.226 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201481 840872638 /nfs/dbraw/zinc/87/26/38/840872638.db2.gz CKQIPJWGZZBLON-RYUDHWBXSA-N 1 3 327.429 -0.639 20 0 EBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001329841378 841038092 /nfs/dbraw/zinc/03/80/92/841038092.db2.gz DQXXUIPPGSBPTK-GXTWGEPZSA-N 1 3 326.441 -0.530 20 0 EBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330543093 841233786 /nfs/dbraw/zinc/23/37/86/841233786.db2.gz FZTKCGZFLLOCDY-CYBMUJFWSA-N 1 3 326.441 -0.448 20 0 EBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001331166223 841361924 /nfs/dbraw/zinc/36/19/24/841361924.db2.gz BYCAZJXURXSOOJ-CQSZACIVSA-N 1 3 339.484 -0.661 20 0 EBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001331193664 841367392 /nfs/dbraw/zinc/36/73/92/841367392.db2.gz XHXXHOXTLKAHOF-AWEZNQCLSA-N 1 3 339.484 -0.661 20 0 EBADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001335207114 842225326 /nfs/dbraw/zinc/22/53/26/842225326.db2.gz PHDUGQLNWYBDJF-CYBMUJFWSA-N 1 3 326.441 -0.589 20 0 EBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340206285 842981815 /nfs/dbraw/zinc/98/18/15/842981815.db2.gz QTKKWMXSZABIOJ-HEHGZKQESA-N 1 3 326.441 -0.842 20 0 EBADHO [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1=O ZINC001341924783 843126069 /nfs/dbraw/zinc/12/60/69/843126069.db2.gz ZJIXDYKGCVSPNO-ZNMIVQPWSA-N 1 3 338.452 -0.759 20 0 EBADHO C[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001342765308 843179263 /nfs/dbraw/zinc/17/92/63/843179263.db2.gz DCRMWHMZOCXKRU-KBPBESRZSA-N 1 3 328.457 -0.521 20 0 EBADHO C[C@H]1SCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001345919795 843462279 /nfs/dbraw/zinc/46/22/79/843462279.db2.gz OPVXSJWSZBLMTP-CHWSQXEVSA-N 1 3 330.498 -0.052 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC001347075546 843588504 /nfs/dbraw/zinc/58/85/04/843588504.db2.gz SRNBOUZUSBKCLF-NEPJUHHUSA-N 1 3 348.407 -1.000 20 0 EBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC001347075546 843588514 /nfs/dbraw/zinc/58/85/14/843588514.db2.gz SRNBOUZUSBKCLF-NEPJUHHUSA-N 1 3 348.407 -1.000 20 0 EBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001691182228 1125841670 /nfs/dbraw/zinc/84/16/70/1125841670.db2.gz SIJOQHAOJXQMNM-HAQNSBGRSA-N 1 3 348.407 -0.703 20 0 EBADHO C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CCCCN2C)CCO1 ZINC001691365285 1125854483 /nfs/dbraw/zinc/85/44/83/1125854483.db2.gz VNZJJBHEUVTYHK-LSDHHAIUSA-N 1 3 340.468 -0.234 20 0 EBADHO CN(CCNCC(=O)NC[C@@H]1CCOC1)C(=O)C1CC[NH+](C)CC1 ZINC001691459055 1125881714 /nfs/dbraw/zinc/88/17/14/1125881714.db2.gz QQSOUQBLTPSVPG-AWEZNQCLSA-N 1 3 340.468 -0.471 20 0 EBADHO CN(CCNCC(=O)NC[C@H]1CCOC1)C(=O)C1CC[NH+](C)CC1 ZINC001691459056 1125881766 /nfs/dbraw/zinc/88/17/66/1125881766.db2.gz QQSOUQBLTPSVPG-CQSZACIVSA-N 1 3 340.468 -0.471 20 0 EBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001481269209 1125958678 /nfs/dbraw/zinc/95/86/78/1125958678.db2.gz CQBRHLIOWMRKRD-ZIAGYGMSSA-N 1 3 338.452 -0.038 20 0 EBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001481269209 1125958679 /nfs/dbraw/zinc/95/86/79/1125958679.db2.gz CQBRHLIOWMRKRD-ZIAGYGMSSA-N 1 3 338.452 -0.038 20 0 EBADHO C[C@@H](C(=O)NC(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497098 1126003421 /nfs/dbraw/zinc/00/34/21/1126003421.db2.gz IDZVMQTZVFXARE-NWDGAFQWSA-N 1 3 327.429 -0.698 20 0 EBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(=O)NC ZINC001481846296 1126061269 /nfs/dbraw/zinc/06/12/69/1126061269.db2.gz XLSJTMSHSUNSAQ-LLVKDONJSA-N 1 3 327.429 -0.732 20 0 EBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001648970725 1126184805 /nfs/dbraw/zinc/18/48/05/1126184805.db2.gz VUPKPLJOGQNWDY-GUTXKFCHSA-N 1 3 326.441 -0.545 20 0 EBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C(C)C ZINC001482565610 1126198367 /nfs/dbraw/zinc/19/83/67/1126198367.db2.gz JGIVAIRHVMGJKM-CHWSQXEVSA-N 1 3 326.441 -0.136 20 0 EBADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001482570727 1126199659 /nfs/dbraw/zinc/19/96/59/1126199659.db2.gz FAOIUKUPUFBPOA-STQMWFEESA-N 1 3 326.441 -0.138 20 0 EBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001482737691 1126272174 /nfs/dbraw/zinc/27/21/74/1126272174.db2.gz SAHQVPCIDYQUKD-ZDUSSCGKSA-N 1 3 326.441 -0.840 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001482737961 1126272463 /nfs/dbraw/zinc/27/24/63/1126272463.db2.gz WVENMJIOCRZBOZ-CQSZACIVSA-N 1 3 326.441 -0.840 20 0 EBADHO CN1CC[C@@H](NC[C@@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774143 1126284854 /nfs/dbraw/zinc/28/48/54/1126284854.db2.gz HLPLGXQCJVTSBK-ZIAGYGMSSA-N 1 3 326.441 -0.984 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775535 1126285496 /nfs/dbraw/zinc/28/54/96/1126285496.db2.gz RUWPBLZNAQOFCP-LSDHHAIUSA-N 1 3 340.468 -0.405 20 0 EBADHO CCN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001482941999 1126304727 /nfs/dbraw/zinc/30/47/27/1126304727.db2.gz DZWDEKYFDUVZMB-LSDHHAIUSA-N 1 3 340.468 -0.498 20 0 EBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NCC ZINC001483133177 1126343068 /nfs/dbraw/zinc/34/30/68/1126343068.db2.gz SGPWFJARJPSVPC-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NCC ZINC001483133177 1126343069 /nfs/dbraw/zinc/34/30/69/1126343069.db2.gz SGPWFJARJPSVPC-CHWSQXEVSA-N 1 3 341.456 -0.199 20 0 EBADHO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001483136744 1126344697 /nfs/dbraw/zinc/34/46/97/1126344697.db2.gz AMBXBQPBWJMKEA-LLVKDONJSA-N 1 3 339.440 -0.447 20 0 EBADHO C[C@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483183879 1126351527 /nfs/dbraw/zinc/35/15/27/1126351527.db2.gz GGPUDASHVHNXQT-LLVKDONJSA-N 1 3 337.424 -0.835 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001483228369 1126355598 /nfs/dbraw/zinc/35/55/98/1126355598.db2.gz OHJPZMLTSKPDPX-MELADBBJSA-N 1 3 348.513 -0.298 20 0 EBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001483228369 1126355600 /nfs/dbraw/zinc/35/56/00/1126355600.db2.gz OHJPZMLTSKPDPX-MELADBBJSA-N 1 3 348.513 -0.298 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001483227104 1126355781 /nfs/dbraw/zinc/35/57/81/1126355781.db2.gz UKWPCZPYIGLFHW-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001483227104 1126355782 /nfs/dbraw/zinc/35/57/82/1126355782.db2.gz UKWPCZPYIGLFHW-LSDHHAIUSA-N 1 3 340.468 -0.188 20 0 EBADHO CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369332 1126359406 /nfs/dbraw/zinc/35/94/06/1126359406.db2.gz BVRAOWAXWZSRLA-QWRGUYRKSA-N 1 3 327.429 -0.733 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692621 1126393369 /nfs/dbraw/zinc/39/33/69/1126393369.db2.gz WEYQWQDIHGDUEB-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692621 1126393371 /nfs/dbraw/zinc/39/33/71/1126393371.db2.gz WEYQWQDIHGDUEB-ZIAGYGMSSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692604 1126393432 /nfs/dbraw/zinc/39/34/32/1126393432.db2.gz WEYQWQDIHGDUEB-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCCS(=O)(=O)N(C)C ZINC001409692604 1126393434 /nfs/dbraw/zinc/39/34/34/1126393434.db2.gz WEYQWQDIHGDUEB-KBPBESRZSA-N 1 3 348.513 -0.344 20 0 EBADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001484181889 1126512434 /nfs/dbraw/zinc/51/24/34/1126512434.db2.gz LCARMBYLWAPOME-ZDUSSCGKSA-N 1 3 326.441 -0.401 20 0 EBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001484181889 1126512436 /nfs/dbraw/zinc/51/24/36/1126512436.db2.gz LCARMBYLWAPOME-ZDUSSCGKSA-N 1 3 326.441 -0.401 20 0 EBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001484181889 1126512438 /nfs/dbraw/zinc/51/24/38/1126512438.db2.gz LCARMBYLWAPOME-ZDUSSCGKSA-N 1 3 326.441 -0.401 20 0 EBADHO CC(C)NC(=O)CNC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001484187397 1126514264 /nfs/dbraw/zinc/51/42/64/1126514264.db2.gz IKDIHQKMSTYSEZ-UHFFFAOYSA-N 1 3 328.457 -0.282 20 0 EBADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cc1 ZINC001484234482 1126534024 /nfs/dbraw/zinc/53/40/24/1126534024.db2.gz CCPAABLUXIWKTI-SFHVURJKSA-N 1 3 335.448 -0.050 20 0 EBADHO CN(CC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001484421432 1126573360 /nfs/dbraw/zinc/57/33/60/1126573360.db2.gz CAJMIDUCVVIYAF-UHFFFAOYSA-N 1 3 341.500 -0.380 20 0 EBADHO CN(CCNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1)S(C)(=O)=O ZINC001484662223 1126614954 /nfs/dbraw/zinc/61/49/54/1126614954.db2.gz CMDAOZINDYGZAE-CYBMUJFWSA-N 1 3 346.497 -0.542 20 0 EBADHO CN(CCNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1)S(C)(=O)=O ZINC001484662223 1126614955 /nfs/dbraw/zinc/61/49/55/1126614955.db2.gz CMDAOZINDYGZAE-CYBMUJFWSA-N 1 3 346.497 -0.542 20 0 EBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687280 1126621668 /nfs/dbraw/zinc/62/16/68/1126621668.db2.gz IOKGFDSOEYHVRT-HNNXBMFYSA-N 1 3 340.468 -0.329 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699301 1126622427 /nfs/dbraw/zinc/62/24/27/1126622427.db2.gz OEALIENQWWQULG-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC(C)(C)C)C2)C1 ZINC001484699301 1126622429 /nfs/dbraw/zinc/62/24/29/1126622429.db2.gz OEALIENQWWQULG-ZIAGYGMSSA-N 1 3 340.468 -0.330 20 0 EBADHO CNC(=O)CNCC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484864734 1126647134 /nfs/dbraw/zinc/64/71/34/1126647134.db2.gz MYAUPZCMLBYCQQ-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO CNC(=O)CNCC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001484864734 1126647135 /nfs/dbraw/zinc/64/71/35/1126647135.db2.gz MYAUPZCMLBYCQQ-AWEZNQCLSA-N 1 3 340.468 -0.138 20 0 EBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCN2CCNC2=O)[C@@H](C)C1 ZINC001484903361 1126651757 /nfs/dbraw/zinc/65/17/57/1126651757.db2.gz ABZSNNKUGXORRE-KBPBESRZSA-N 1 3 325.457 -0.210 20 0 EBADHO CC(C)N(C)CC(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001485673875 1126796447 /nfs/dbraw/zinc/79/64/47/1126796447.db2.gz SJGNFJMPMPLPOJ-AWEZNQCLSA-N 1 3 340.468 -0.201 20 0 EBADHO CN1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@H]21 ZINC001649048075 1126864849 /nfs/dbraw/zinc/86/48/49/1126864849.db2.gz LOKQMAOHJKJJDG-XPCVCDNBSA-N 1 3 327.450 -0.827 20 0 EBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001485927564 1126917249 /nfs/dbraw/zinc/91/72/49/1126917249.db2.gz PZAQIYHMWMDROF-NWDGAFQWSA-N 1 3 328.438 -0.177 20 0 EBADHO Cn1ccc(CN[C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)cc1=O ZINC001486025730 1126976623 /nfs/dbraw/zinc/97/66/23/1126976623.db2.gz ATZFAAHZOQPFFO-CQSZACIVSA-N 1 3 336.436 -0.706 20 0 EBADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NC[C@H]1COc2ccccc2O1 ZINC001486031136 1127001817 /nfs/dbraw/zinc/00/18/17/1127001817.db2.gz OWCBISHGMDVYQC-KBPBESRZSA-N 1 3 337.420 -0.155 20 0 EBADHO C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001486091194 1127030623 /nfs/dbraw/zinc/03/06/23/1127030623.db2.gz GLXARXSACIOULG-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001486095202 1127031867 /nfs/dbraw/zinc/03/18/67/1127031867.db2.gz HJZIUUWSYHDVFV-ZIAGYGMSSA-N 1 3 346.497 -0.400 20 0 EBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486247208 1127066188 /nfs/dbraw/zinc/06/61/88/1127066188.db2.gz AANBWONPBOAXMM-LLVKDONJSA-N 1 3 327.429 -0.650 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001486247208 1127066192 /nfs/dbraw/zinc/06/61/92/1127066192.db2.gz AANBWONPBOAXMM-LLVKDONJSA-N 1 3 327.429 -0.650 20 0 EBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)CCC1 ZINC001486280997 1127077501 /nfs/dbraw/zinc/07/75/01/1127077501.db2.gz LHKWMPTWGIUUAH-CQSZACIVSA-N 1 3 340.468 -0.500 20 0 EBADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)CC1 ZINC001486307846 1127112388 /nfs/dbraw/zinc/11/23/88/1127112388.db2.gz HXEMFUPTJADFQH-OAHLLOKOSA-N 1 3 342.484 -0.396 20 0 EBADHO CC[N@H+](C)CCC(=O)N[C@@H](CNCC(=O)NC(=O)NC)C(C)(C)C ZINC001486415511 1127172263 /nfs/dbraw/zinc/17/22/63/1127172263.db2.gz FQKOHIUGLGXCIP-LBPRGKRZSA-N 1 3 343.472 -0.096 20 0 EBADHO CC[N@@H+](C)CCC(=O)N[C@@H](CNCC(=O)NC(=O)NC)C(C)(C)C ZINC001486415511 1127172268 /nfs/dbraw/zinc/17/22/68/1127172268.db2.gz FQKOHIUGLGXCIP-LBPRGKRZSA-N 1 3 343.472 -0.096 20 0 EBADHO CCS(=O)(=O)NCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001486458166 1127179789 /nfs/dbraw/zinc/17/97/89/1127179789.db2.gz SUJZXBNGKGRVJJ-RUXDESIVSA-N 1 3 346.497 -0.401 20 0 EBADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NCCS(C)(=O)=O)C1 ZINC001486480794 1127184449 /nfs/dbraw/zinc/18/44/49/1127184449.db2.gz OFAUCEKPJADYHN-UHFFFAOYSA-N 1 3 329.466 -0.294 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001410153165 1127614017 /nfs/dbraw/zinc/61/40/17/1127614017.db2.gz IKYSSXRKRVYTMH-QKDCVEJESA-N 1 3 337.468 -0.354 20 0 EBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001410153165 1127614019 /nfs/dbraw/zinc/61/40/19/1127614019.db2.gz IKYSSXRKRVYTMH-QKDCVEJESA-N 1 3 337.468 -0.354 20 0 EBADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001410166389 1127623816 /nfs/dbraw/zinc/62/38/16/1127623816.db2.gz ZAZARKIXONQGLC-UONOGXRCSA-N 1 3 340.468 -0.236 20 0 EBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001410224605 1127647590 /nfs/dbraw/zinc/64/75/90/1127647590.db2.gz QEAJCZPDFHVKLP-IJLUTSLNSA-N 1 3 327.429 -0.733 20 0 EBADHO CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432634 1127713000 /nfs/dbraw/zinc/71/30/00/1127713000.db2.gz IIRSSHALRILRFP-CHWSQXEVSA-N 1 3 343.472 -0.003 20 0 EBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCc1cnn(C)c1 ZINC001410622544 1127778555 /nfs/dbraw/zinc/77/85/55/1127778555.db2.gz MMNZMUUBVFBWHX-JKSUJKDBSA-N 1 3 337.468 -0.098 20 0 EBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001410873458 1127925358 /nfs/dbraw/zinc/92/53/58/1127925358.db2.gz VKJZSZILFHXVLD-CHWSQXEVSA-N 1 3 339.440 -0.493 20 0 EBADHO CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001411098253 1128015299 /nfs/dbraw/zinc/01/52/99/1128015299.db2.gz NXLIHDAIXGUILC-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001411101886 1128016531 /nfs/dbraw/zinc/01/65/31/1128016531.db2.gz SFNIZIJVSWWYDB-QWHCGFSZSA-N 1 3 326.441 -0.842 20 0 EBADHO CN(CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)CC(C)(C)C ZINC001411105791 1128017694 /nfs/dbraw/zinc/01/76/94/1128017694.db2.gz UWDMFTSGFFVZGK-ZIAGYGMSSA-N 1 3 342.484 -0.348 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001411147303 1128040723 /nfs/dbraw/zinc/04/07/23/1128040723.db2.gz PBNPXRYPUPHPRU-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001411147303 1128040728 /nfs/dbraw/zinc/04/07/28/1128040728.db2.gz PBNPXRYPUPHPRU-KBPBESRZSA-N 1 3 328.457 -0.738 20 0 EBADHO C[NH+]1CCC(C(=O)N[C@H](CNCC(=O)NC(N)=O)C(C)(C)C)CC1 ZINC001411224412 1128096738 /nfs/dbraw/zinc/09/67/38/1128096738.db2.gz ONVVAPLCMJKLRQ-GFCCVEGCSA-N 1 3 341.456 -0.356 20 0 EBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092272910 1128220040 /nfs/dbraw/zinc/22/00/40/1128220040.db2.gz IUMMICPXVHGXLI-DAYGRLMNSA-N 1 3 349.479 -0.256 20 0 EBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092272910 1128220044 /nfs/dbraw/zinc/22/00/44/1128220044.db2.gz IUMMICPXVHGXLI-DAYGRLMNSA-N 1 3 349.479 -0.256 20 0 EBADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133747 1128296390 /nfs/dbraw/zinc/29/63/90/1128296390.db2.gz MPPBECUGMWTAJX-KFWWJZLASA-N 1 3 334.464 -0.003 20 0 EBADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176753277 1128349683 /nfs/dbraw/zinc/34/96/83/1128349683.db2.gz DXBMVPXPFUJYLX-LBPRGKRZSA-N 1 3 329.445 -0.214 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187841411 1128355772 /nfs/dbraw/zinc/35/57/72/1128355772.db2.gz ANUAGVOLMAHHQB-VXGBXAGGSA-N 1 3 325.413 -0.883 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001488368337 1128705613 /nfs/dbraw/zinc/70/56/13/1128705613.db2.gz ALWPNRKSAVVHSG-KGLIPLIRSA-N 1 3 328.457 -0.786 20 0 EBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001488368337 1128705617 /nfs/dbraw/zinc/70/56/17/1128705617.db2.gz ALWPNRKSAVVHSG-KGLIPLIRSA-N 1 3 328.457 -0.786 20 0 EBADHO CN(C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)Cc1c[nH]cn1 ZINC001488414163 1128748557 /nfs/dbraw/zinc/74/85/57/1128748557.db2.gz QVAFOSNKRHFWFT-LSDHHAIUSA-N 1 3 349.435 -0.771 20 0 EBADHO CN(C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)Cc1c[nH]cn1 ZINC001488414294 1128748662 /nfs/dbraw/zinc/74/86/62/1128748662.db2.gz TXJPWQLYAZPSNU-AWEZNQCLSA-N 1 3 337.424 -0.771 20 0 EBADHO C[C@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774620 1128841692 /nfs/dbraw/zinc/84/16/92/1128841692.db2.gz XAOVLQDTDXECEL-ZDEQEGDKSA-N 1 3 339.440 -0.604 20 0 EBADHO C[C@H](NCC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305364 1129160202 /nfs/dbraw/zinc/16/02/02/1129160202.db2.gz GFUCACAHAOUBLK-NWDGAFQWSA-N 1 3 327.429 -0.508 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001414050493 1131356224 /nfs/dbraw/zinc/35/62/24/1131356224.db2.gz SRZTTXYUJICTFY-MJBXVCDLSA-N 1 3 340.468 -0.644 20 0 EBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001414050493 1131356230 /nfs/dbraw/zinc/35/62/30/1131356230.db2.gz SRZTTXYUJICTFY-MJBXVCDLSA-N 1 3 340.468 -0.644 20 0 EBADHO CN1CC[NH+](C2CCN(C[C@@H](O)C3(O)CCOCC3)CC2)CC1 ZINC001413050802 1129893134 /nfs/dbraw/zinc/89/31/34/1129893134.db2.gz UYPWQJCETJUQNE-MRXNPFEDSA-N 1 3 327.469 -0.399 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001490949036 1130272230 /nfs/dbraw/zinc/27/22/30/1130272230.db2.gz BSEIYJYNNJUKRT-JHJVBQTASA-N 1 3 334.486 -0.641 20 0 EBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491079702 1130314864 /nfs/dbraw/zinc/31/48/64/1130314864.db2.gz DSVPHCVVNHXEKG-TUAOUCFPSA-N 1 3 325.413 -0.708 20 0 EBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523994 1130825092 /nfs/dbraw/zinc/82/50/92/1130825092.db2.gz IXYPQNSBMQTJAS-NEPJUHHUSA-N 1 3 341.456 -0.343 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523997 1130825517 /nfs/dbraw/zinc/82/55/17/1130825517.db2.gz IXYPQNSBMQTJAS-VXGBXAGGSA-N 1 3 341.456 -0.343 20 0 EBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200695581 1130845325 /nfs/dbraw/zinc/84/53/25/1130845325.db2.gz AONMHWOAXJGZKE-AWEZNQCLSA-N 1 3 326.441 -0.576 20 0 EBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001356609570 1130883740 /nfs/dbraw/zinc/88/37/40/1130883740.db2.gz QSEDBNILONIKOI-MGPQQGTHSA-N 1 3 325.457 -0.034 20 0 EBADHO CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)CC(C)(C)C ZINC001413975176 1131160215 /nfs/dbraw/zinc/16/02/15/1131160215.db2.gz COXNGVXENGNCOH-ZIAGYGMSSA-N 1 3 342.484 -0.396 20 0 EBADHO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC001365325452 1132622617 /nfs/dbraw/zinc/62/26/17/1132622617.db2.gz STWRNECKTJURGO-HRCADAONSA-N 1 3 341.500 -0.281 20 0 EBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001366096261 1133001552 /nfs/dbraw/zinc/00/15/52/1133001552.db2.gz BFKMNXRIZVJQIH-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001366096261 1133001558 /nfs/dbraw/zinc/00/15/58/1133001558.db2.gz BFKMNXRIZVJQIH-HNNXBMFYSA-N 1 3 340.468 -0.186 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366097103 1133002917 /nfs/dbraw/zinc/00/29/17/1133002917.db2.gz CXOWWGKHRRRBGQ-NEPJUHHUSA-N 1 3 327.429 -0.637 20 0 EBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366101793 1133005515 /nfs/dbraw/zinc/00/55/15/1133005515.db2.gz GAXNFCUOECWRDG-OLZOCXBDSA-N 1 3 339.440 -0.493 20 0 EBADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001366103379 1133007797 /nfs/dbraw/zinc/00/77/97/1133007797.db2.gz PKKOXHIITYMAPI-KGLIPLIRSA-N 1 3 331.482 -0.047 20 0 EBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC1 ZINC001366116192 1133013435 /nfs/dbraw/zinc/01/34/35/1133013435.db2.gz WEUBOMCXGDLIQV-HDJSIYSDSA-N 1 3 338.452 -0.434 20 0 EBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366218626 1133060424 /nfs/dbraw/zinc/06/04/24/1133060424.db2.gz NDCVIMLBLLQWCL-NWDGAFQWSA-N 1 3 325.413 -0.754 20 0 EBADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583499 1133197326 /nfs/dbraw/zinc/19/73/26/1133197326.db2.gz LZGCLJQYEFSCQK-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC001366583499 1133197327 /nfs/dbraw/zinc/19/73/27/1133197327.db2.gz LZGCLJQYEFSCQK-UONOGXRCSA-N 1 3 348.513 -0.344 20 0 EBADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001366775308 1133293244 /nfs/dbraw/zinc/29/32/44/1133293244.db2.gz MAJSYQZALRSORU-LBPRGKRZSA-N 1 3 343.472 -0.001 20 0 EBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001367094436 1133473807 /nfs/dbraw/zinc/47/38/07/1133473807.db2.gz CUHXPQIDUYGYIK-AWEZNQCLSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367358847 1133562010 /nfs/dbraw/zinc/56/20/10/1133562010.db2.gz QBMAWUUPYANXMY-OCCSQVGLSA-N 1 3 343.472 -0.145 20 0 EBADHO C[C@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C(=O)CN1CCCC1 ZINC001367405237 1133580159 /nfs/dbraw/zinc/58/01/59/1133580159.db2.gz NTILYTGEMCCTLI-CABCVRRESA-N 1 3 340.468 -0.234 20 0 EBADHO C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C(=O)CN1CCCC1 ZINC001367405238 1133580867 /nfs/dbraw/zinc/58/08/67/1133580867.db2.gz NTILYTGEMCCTLI-GJZGRUSLSA-N 1 3 340.468 -0.234 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367418120 1133585242 /nfs/dbraw/zinc/58/52/42/1133585242.db2.gz LHNOSIZXSFRAFR-QJPTWQEYSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367418120 1133585247 /nfs/dbraw/zinc/58/52/47/1133585247.db2.gz LHNOSIZXSFRAFR-QJPTWQEYSA-N 1 3 327.429 -0.781 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001367424969 1133586395 /nfs/dbraw/zinc/58/63/95/1133586395.db2.gz AXYAEQBQKSXYFA-JQWIXIFHSA-N 1 3 336.396 -0.766 20 0 EBADHO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001367589956 1133660984 /nfs/dbraw/zinc/66/09/84/1133660984.db2.gz CBVPFHHZNCJIGS-CHWSQXEVSA-N 1 3 326.441 -0.842 20 0 EBADHO CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593725 1133666714 /nfs/dbraw/zinc/66/67/14/1133666714.db2.gz LMQORQGHTGNVOK-QWHCGFSZSA-N 1 3 326.441 -0.936 20 0 EBADHO O=C(CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCCC1 ZINC001367621459 1133705760 /nfs/dbraw/zinc/70/57/60/1133705760.db2.gz KPGDCBYNHHJDAP-CQSZACIVSA-N 1 3 338.452 -0.839 20 0 EBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622044 1133706712 /nfs/dbraw/zinc/70/67/12/1133706712.db2.gz TYDVZCLZPSHZMZ-BLLLJJGKSA-N 1 3 346.447 -0.598 20 0 EBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001367622044 1133706718 /nfs/dbraw/zinc/70/67/18/1133706718.db2.gz TYDVZCLZPSHZMZ-BLLLJJGKSA-N 1 3 346.447 -0.598 20 0 EBADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001367709296 1133755394 /nfs/dbraw/zinc/75/53/94/1133755394.db2.gz SVYONIIKDXCCCY-BXUZGUMPSA-N 1 3 341.456 -0.345 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367730931 1133762710 /nfs/dbraw/zinc/76/27/10/1133762710.db2.gz GUXNXWNTGGSKGA-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367730931 1133762716 /nfs/dbraw/zinc/76/27/16/1133762716.db2.gz GUXNXWNTGGSKGA-QWHCGFSZSA-N 1 3 341.456 -0.201 20 0 EBADHO C[C@H]1CN(C(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913520 1133838267 /nfs/dbraw/zinc/83/82/67/1133838267.db2.gz RECGZADMMLPSOD-ZFWWWQNUSA-N 1 3 340.468 -0.330 20 0 EBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001368105276 1133939935 /nfs/dbraw/zinc/93/99/35/1133939935.db2.gz UNQKVMUANBHZGE-CHWSQXEVSA-N 1 3 339.440 -0.365 20 0 EBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001368105276 1133939943 /nfs/dbraw/zinc/93/99/43/1133939943.db2.gz UNQKVMUANBHZGE-CHWSQXEVSA-N 1 3 339.440 -0.365 20 0 EBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109582 1133942447 /nfs/dbraw/zinc/94/24/47/1133942447.db2.gz NSJOFZCLWRDEFC-CHWSQXEVSA-N 1 3 341.456 -0.247 20 0 EBADHO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001368251506 1134030308 /nfs/dbraw/zinc/03/03/08/1134030308.db2.gz ZLJAWCYIAOHUCN-YOEHRIQHSA-N 1 3 338.452 -0.840 20 0 EBADHO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001368251506 1134030314 /nfs/dbraw/zinc/03/03/14/1134030314.db2.gz ZLJAWCYIAOHUCN-YOEHRIQHSA-N 1 3 338.452 -0.840 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001368251496 1134030576 /nfs/dbraw/zinc/03/05/76/1134030576.db2.gz ZLJAWCYIAOHUCN-PBHICJAKSA-N 1 3 338.452 -0.840 20 0 EBADHO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001368251496 1134030581 /nfs/dbraw/zinc/03/05/81/1134030581.db2.gz ZLJAWCYIAOHUCN-PBHICJAKSA-N 1 3 338.452 -0.840 20 0 EBADHO CNC(=O)[C@H](C)NCCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001368397389 1134201563 /nfs/dbraw/zinc/20/15/63/1134201563.db2.gz MURXMQGCVQJFQI-AWEZNQCLSA-N 1 3 342.484 -0.348 20 0 EBADHO C[C@@H]1CN(C(=O)CNC2(CNC(=O)CC[NH+](C)C)CCC2)CCO1 ZINC001368481972 1134248778 /nfs/dbraw/zinc/24/87/78/1134248778.db2.gz AUEMODKZVICOJN-CQSZACIVSA-N 1 3 340.468 -0.186 20 0 EBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368518260 1134269922 /nfs/dbraw/zinc/26/99/22/1134269922.db2.gz SJIFZEORNAUYCG-OAHLLOKOSA-N 1 3 340.468 -0.185 20 0 EBADHO C[C@@H](NC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578328 1134301241 /nfs/dbraw/zinc/30/12/41/1134301241.db2.gz JMLIIFMGYVFAEV-KGLIPLIRSA-N 1 3 340.468 -0.058 20 0 EBADHO C[C@H](NC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578335 1134301275 /nfs/dbraw/zinc/30/12/75/1134301275.db2.gz JMLIIFMGYVFAEV-UONOGXRCSA-N 1 3 340.468 -0.058 20 0 EBADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001368632655 1134346059 /nfs/dbraw/zinc/34/60/59/1134346059.db2.gz GHMVHSAIEFRLOS-ZIAGYGMSSA-N 1 3 340.468 -0.140 20 0 EBADHO CCN1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001368689316 1134389252 /nfs/dbraw/zinc/38/92/52/1134389252.db2.gz QWADEDMUVIWHIA-UONOGXRCSA-N 1 3 340.468 -0.322 20 0 EBADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001368822539 1134456260 /nfs/dbraw/zinc/45/62/60/1134456260.db2.gz MTIXQBWGVBCNSY-GCZXYKMCSA-N 1 3 327.429 -0.748 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001368840025 1134462064 /nfs/dbraw/zinc/46/20/64/1134462064.db2.gz KQKROYRKXHWJQK-WDEREUQCSA-N 1 3 327.429 -0.591 20 0 EBADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368898107 1134478802 /nfs/dbraw/zinc/47/88/02/1134478802.db2.gz ARTFYCAILOVROH-WXRRBKDZSA-N 1 3 339.440 -0.365 20 0 EBADHO C[C@@H](NCC(=O)N1CCC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146831 1134592172 /nfs/dbraw/zinc/59/21/72/1134592172.db2.gz GXQHOOGHLIPFEC-HUUCEWRRSA-N 1 3 340.468 -0.234 20 0 EBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369363943 1134717923 /nfs/dbraw/zinc/71/79/23/1134717923.db2.gz OMBODCTXKDWPDG-HUUCEWRRSA-N 1 3 338.456 -0.392 20 0 EBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001369409204 1134766433 /nfs/dbraw/zinc/76/64/33/1134766433.db2.gz XEPMTAONTOHEBL-VXGBXAGGSA-N 1 3 339.440 -0.495 20 0 EBADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001369420696 1134772111 /nfs/dbraw/zinc/77/21/11/1134772111.db2.gz LCMWXHUCNPNOPH-VXGBXAGGSA-N 1 3 339.440 -0.460 20 0 EBADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)N(C)C ZINC001369434554 1134777257 /nfs/dbraw/zinc/77/72/57/1134777257.db2.gz HOSBSFAFAPPJDA-MNOVXSKESA-N 1 3 327.429 -0.652 20 0 EBADHO C[C@H](N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443769 1134782889 /nfs/dbraw/zinc/78/28/89/1134782889.db2.gz RGJJMPDVALRQJP-RYUDHWBXSA-N 1 3 341.456 -0.262 20 0 EBADHO CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468750 1134817687 /nfs/dbraw/zinc/81/76/87/1134817687.db2.gz FUTDGVYFEIXITE-ZIAGYGMSSA-N 1 3 340.468 -0.500 20 0 EBADHO CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468748 1134818089 /nfs/dbraw/zinc/81/80/89/1134818089.db2.gz FUTDGVYFEIXITE-UONOGXRCSA-N 1 3 340.468 -0.500 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477693 1134839633 /nfs/dbraw/zinc/83/96/33/1134839633.db2.gz VWLUELZHMPGENV-BLLLJJGKSA-N 1 3 346.447 -0.646 20 0 EBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001369477693 1134839641 /nfs/dbraw/zinc/83/96/41/1134839641.db2.gz VWLUELZHMPGENV-BLLLJJGKSA-N 1 3 346.447 -0.646 20 0 EBADHO CN(C[C@H](O)CNCC(=O)NC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001369484669 1134852931 /nfs/dbraw/zinc/85/29/31/1134852931.db2.gz OQPZTIIAOURINZ-CYBMUJFWSA-N 1 3 340.468 -0.594 20 0 EBADHO CC(C)[C@@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001370725442 1135552593 /nfs/dbraw/zinc/55/25/93/1135552593.db2.gz OELANKSIBVVZRK-CABCVRRESA-N 1 3 342.484 -0.492 20 0 EBADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001370857707 1135674271 /nfs/dbraw/zinc/67/42/71/1135674271.db2.gz YLZQVVDVQJVDLS-QWHCGFSZSA-N 1 3 341.456 -0.390 20 0 EBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001371460922 1135921625 /nfs/dbraw/zinc/92/16/25/1135921625.db2.gz DVAODWYLPBTPMB-ZIAGYGMSSA-N 1 3 338.452 -0.888 20 0 EBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001371477819 1135932619 /nfs/dbraw/zinc/93/26/19/1135932619.db2.gz OLVZLEGJPAELBM-FMKPAKJESA-N 1 3 342.484 -0.398 20 0 EBADHO CNC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC001371602183 1135980968 /nfs/dbraw/zinc/98/09/68/1135980968.db2.gz USVHZKBWAPPGRA-UONOGXRCSA-N 1 3 342.488 -0.029 20 0 EBADHO CNC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC001371602183 1135980970 /nfs/dbraw/zinc/98/09/70/1135980970.db2.gz USVHZKBWAPPGRA-UONOGXRCSA-N 1 3 342.488 -0.029 20 0 EBADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC1 ZINC001371842521 1136033340 /nfs/dbraw/zinc/03/33/40/1136033340.db2.gz HMPCJPKLIPKLGX-UONOGXRCSA-N 1 3 349.435 -0.628 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC001372132565 1136118660 /nfs/dbraw/zinc/11/86/60/1136118660.db2.gz OHCMRNQNCRJCIN-GDBMZVCRSA-N 1 3 343.468 -0.315 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC001372132565 1136118662 /nfs/dbraw/zinc/11/86/62/1136118662.db2.gz OHCMRNQNCRJCIN-GDBMZVCRSA-N 1 3 343.468 -0.315 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC001372132567 1136118752 /nfs/dbraw/zinc/11/87/52/1136118752.db2.gz OHCMRNQNCRJCIN-GOEBONIOSA-N 1 3 343.468 -0.315 20 0 EBADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC001372132567 1136118754 /nfs/dbraw/zinc/11/87/54/1136118754.db2.gz OHCMRNQNCRJCIN-GOEBONIOSA-N 1 3 343.468 -0.315 20 0 EBADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(=O)NC1CC1 ZINC001372926663 1136328294 /nfs/dbraw/zinc/32/82/94/1136328294.db2.gz SMJPFVNQVMLUSY-DGCLKSJQSA-N 1 3 339.440 -0.495 20 0 EBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001373974794 1136596976 /nfs/dbraw/zinc/59/69/76/1136596976.db2.gz QMEQVYAUCTYXAU-HZPDHXFCSA-N 1 3 335.452 -0.080 20 0 EBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001374614076 1136747627 /nfs/dbraw/zinc/74/76/27/1136747627.db2.gz GHLXYMHVTOCQQG-HUUCEWRRSA-N 1 3 340.468 -0.452 20 0 EBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001374614076 1136747629 /nfs/dbraw/zinc/74/76/29/1136747629.db2.gz GHLXYMHVTOCQQG-HUUCEWRRSA-N 1 3 340.468 -0.452 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C1CCC1 ZINC001374614657 1136748136 /nfs/dbraw/zinc/74/81/36/1136748136.db2.gz HEEVHMOZFFBLOD-KGLIPLIRSA-N 1 3 326.441 -0.842 20 0 EBADHO CN(CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C1CCC1 ZINC001374617354 1136751793 /nfs/dbraw/zinc/75/17/93/1136751793.db2.gz UIXOOAFEZQBBET-ZIAGYGMSSA-N 1 3 336.440 -0.684 20 0 EBADHO CC(C)NC(=O)CNC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374633597 1136763562 /nfs/dbraw/zinc/76/35/62/1136763562.db2.gz PKXZLQNNNYMASJ-ZDUSSCGKSA-N 1 3 328.457 -0.548 20 0 EBADHO CC1CCN(C(=O)CNC[C@H](O)CNC(=O)CC[NH+](C)C)CC1 ZINC001374640887 1136769368 /nfs/dbraw/zinc/76/93/68/1136769368.db2.gz HXDCYPKYHQRXMV-AWEZNQCLSA-N 1 3 328.457 -0.737 20 0 EBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672171 1136790765 /nfs/dbraw/zinc/79/07/65/1136790765.db2.gz DWRNFPZAJCGUFB-OCCSQVGLSA-N 1 3 326.441 -0.936 20 0 EBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)C1 ZINC001374672171 1136790767 /nfs/dbraw/zinc/79/07/67/1136790767.db2.gz DWRNFPZAJCGUFB-OCCSQVGLSA-N 1 3 326.441 -0.936 20 0 EBADHO CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374706451 1136808927 /nfs/dbraw/zinc/80/89/27/1136808927.db2.gz WLSSGUGLPCNZRM-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001374706451 1136808929 /nfs/dbraw/zinc/80/89/29/1136808929.db2.gz WLSSGUGLPCNZRM-CHWSQXEVSA-N 1 3 341.456 -0.118 20 0 EBADHO