smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(N)=O ZINC001318537886 916400043 /nfs/dbraw/zinc/40/00/43/916400043.db2.gz NNGBAGAPSISGOC-RYUDHWBXSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(N)=O ZINC001318537886 916400055 /nfs/dbraw/zinc/40/00/55/916400055.db2.gz NNGBAGAPSISGOC-RYUDHWBXSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320297021 916500219 /nfs/dbraw/zinc/50/02/19/916500219.db2.gz XCDQFLQNTUPELS-QWHCGFSZSA-N 2 1 310.398 -1.856 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001331760176 917331222 /nfs/dbraw/zinc/33/12/22/917331222.db2.gz YYKSGNARHMNRFP-CYBMUJFWSA-N 2 1 324.425 -1.323 20 30 DAEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835753 917346050 /nfs/dbraw/zinc/34/60/50/917346050.db2.gz NXERWSABGXSAJR-KGLIPLIRSA-N 2 1 313.398 -1.576 20 30 DAEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835753 917346056 /nfs/dbraw/zinc/34/60/56/917346056.db2.gz NXERWSABGXSAJR-KGLIPLIRSA-N 2 1 313.398 -1.576 20 30 DAEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835755 917346719 /nfs/dbraw/zinc/34/67/19/917346719.db2.gz NXERWSABGXSAJR-ZIAGYGMSSA-N 2 1 313.398 -1.576 20 30 DAEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835755 917346735 /nfs/dbraw/zinc/34/67/35/917346735.db2.gz NXERWSABGXSAJR-ZIAGYGMSSA-N 2 1 313.398 -1.576 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC001352913219 918135028 /nfs/dbraw/zinc/13/50/28/918135028.db2.gz QXNNCFQTKVZOFE-HZPDHXFCSA-N 2 1 310.442 -1.794 20 30 DAEDMP C#CCN1CCN(C(=O)C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000079467031 372870084 /nfs/dbraw/zinc/87/00/84/372870084.db2.gz PFUATWKGQPBNTN-UHFFFAOYSA-N 2 1 307.398 -1.104 20 30 DAEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000491781239 373437225 /nfs/dbraw/zinc/43/72/25/373437225.db2.gz NMXWAXGIAJLVKN-STQMWFEESA-N 2 1 307.398 -1.105 20 30 DAEDMP OC[C@H]1CCN(CC#CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000568558318 373545452 /nfs/dbraw/zinc/54/54/52/373545452.db2.gz VESGYULXGKKDJY-QKPAOTATSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@@H+](CC#CCN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000568558318 373545458 /nfs/dbraw/zinc/54/54/58/373545458.db2.gz VESGYULXGKKDJY-QKPAOTATSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@H+](CC#CCN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000568558318 373545467 /nfs/dbraw/zinc/54/54/67/373545467.db2.gz VESGYULXGKKDJY-QKPAOTATSA-N 2 1 312.410 -1.660 20 30 DAEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000262529576 662457833 /nfs/dbraw/zinc/45/78/33/662457833.db2.gz MSSJBHWDGAZHQG-AWEZNQCLSA-N 2 1 312.462 -1.271 20 30 DAEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000262529579 662711520 /nfs/dbraw/zinc/71/15/20/662711520.db2.gz MSSJBHWDGAZHQG-CQSZACIVSA-N 2 1 312.462 -1.271 20 30 DAEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(C(C)=O)CC1 ZINC000262829301 662717272 /nfs/dbraw/zinc/71/72/72/662717272.db2.gz ZLCQSSZSVLPPMR-CQSZACIVSA-N 2 1 310.446 -1.028 20 30 DAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083096443 663474160 /nfs/dbraw/zinc/47/41/60/663474160.db2.gz KPFDLQDSLQKQIM-SNVBAGLBSA-N 2 1 303.432 -1.063 20 30 DAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083096443 663474162 /nfs/dbraw/zinc/47/41/62/663474162.db2.gz KPFDLQDSLQKQIM-SNVBAGLBSA-N 2 1 303.432 -1.063 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958723718 664288694 /nfs/dbraw/zinc/28/86/94/664288694.db2.gz JBAUXPZSXMBHOT-ZIAGYGMSSA-N 2 1 322.409 -1.774 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958723718 664288696 /nfs/dbraw/zinc/28/86/96/664288696.db2.gz JBAUXPZSXMBHOT-ZIAGYGMSSA-N 2 1 322.409 -1.774 20 30 DAEDMP COCCNC(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303770140 664297428 /nfs/dbraw/zinc/29/74/28/664297428.db2.gz BQANIEXTAWFIEV-UHFFFAOYSA-N 2 1 301.391 -1.624 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200720749 782206239 /nfs/dbraw/zinc/20/62/39/782206239.db2.gz CPNUFVDOAJYEQS-KBPBESRZSA-N 2 1 322.409 -1.224 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200720749 782206247 /nfs/dbraw/zinc/20/62/47/782206247.db2.gz CPNUFVDOAJYEQS-KBPBESRZSA-N 2 1 322.409 -1.224 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001275214961 782305430 /nfs/dbraw/zinc/30/54/30/782305430.db2.gz JFSVAWNGYSGQSF-JXQTWKCFSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001275214961 782305438 /nfs/dbraw/zinc/30/54/38/782305438.db2.gz JFSVAWNGYSGQSF-JXQTWKCFSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266728877 775173963 /nfs/dbraw/zinc/17/39/63/775173963.db2.gz OLMQSJMUENFSPZ-ZDUSSCGKSA-N 2 1 305.382 -1.228 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266728877 775173971 /nfs/dbraw/zinc/17/39/71/775173971.db2.gz OLMQSJMUENFSPZ-ZDUSSCGKSA-N 2 1 305.382 -1.228 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267012135 775195091 /nfs/dbraw/zinc/19/50/91/775195091.db2.gz XTMFIHUQFGBXTJ-KBPBESRZSA-N 2 1 317.393 -1.086 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267012135 775195095 /nfs/dbraw/zinc/19/50/95/775195095.db2.gz XTMFIHUQFGBXTJ-KBPBESRZSA-N 2 1 317.393 -1.086 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267124578 775206968 /nfs/dbraw/zinc/20/69/68/775206968.db2.gz BJIQBIUIVFIJFO-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267124578 775206971 /nfs/dbraw/zinc/20/69/71/775206971.db2.gz BJIQBIUIVFIJFO-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001267189830 775209675 /nfs/dbraw/zinc/20/96/75/775209675.db2.gz WCGCBTQEJZNBPJ-STQMWFEESA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001267189830 775209681 /nfs/dbraw/zinc/20/96/81/775209681.db2.gz WCGCBTQEJZNBPJ-STQMWFEESA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001267189829 775211248 /nfs/dbraw/zinc/21/12/48/775211248.db2.gz WCGCBTQEJZNBPJ-QWHCGFSZSA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001267189829 775211256 /nfs/dbraw/zinc/21/12/56/775211256.db2.gz WCGCBTQEJZNBPJ-QWHCGFSZSA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267831562 775284114 /nfs/dbraw/zinc/28/41/14/775284114.db2.gz RVUMGAPQSMAZTK-KGLIPLIRSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267831562 775284116 /nfs/dbraw/zinc/28/41/16/775284116.db2.gz RVUMGAPQSMAZTK-KGLIPLIRSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268014194 775314878 /nfs/dbraw/zinc/31/48/78/775314878.db2.gz MXOIFAPCUJHUIC-UONOGXRCSA-N 2 1 324.425 -1.202 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268014194 775314887 /nfs/dbraw/zinc/31/48/87/775314887.db2.gz MXOIFAPCUJHUIC-UONOGXRCSA-N 2 1 324.425 -1.202 20 30 DAEDMP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268524166 775395052 /nfs/dbraw/zinc/39/50/52/775395052.db2.gz ZOOKACSCECTZTG-ZFDPJTLLSA-N 2 1 310.398 -1.119 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268952836 775431997 /nfs/dbraw/zinc/43/19/97/775431997.db2.gz DMMGSCHJMKFIHJ-CQSZACIVSA-N 2 1 324.425 -1.105 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268952836 775432000 /nfs/dbraw/zinc/43/20/00/775432000.db2.gz DMMGSCHJMKFIHJ-CQSZACIVSA-N 2 1 324.425 -1.105 20 30 DAEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269540961 775470152 /nfs/dbraw/zinc/47/01/52/775470152.db2.gz RWOHOFXPEAJLJC-GFCCVEGCSA-N 2 1 323.397 -1.415 20 30 DAEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269540961 775470159 /nfs/dbraw/zinc/47/01/59/775470159.db2.gz RWOHOFXPEAJLJC-GFCCVEGCSA-N 2 1 323.397 -1.415 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417032 775733539 /nfs/dbraw/zinc/73/35/39/775733539.db2.gz LYMNGNLHNHJHTA-UHFFFAOYSA-N 2 1 310.398 -1.446 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417006 775733584 /nfs/dbraw/zinc/73/35/84/775733584.db2.gz LQNGBZJRBKKEEB-UHFFFAOYSA-N 2 1 311.386 -1.556 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001272444059 775762229 /nfs/dbraw/zinc/76/22/29/775762229.db2.gz RHZWTFGQZDXTCV-CABCVRRESA-N 2 1 307.394 -1.200 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001272444059 775762240 /nfs/dbraw/zinc/76/22/40/775762240.db2.gz RHZWTFGQZDXTCV-CABCVRRESA-N 2 1 307.394 -1.200 20 30 DAEDMP C#CC[NH2+]CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001122002723 775768529 /nfs/dbraw/zinc/76/85/29/775768529.db2.gz JBPXNAYLDAVRDT-UHFFFAOYSA-N 2 1 306.370 -1.278 20 30 DAEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125221637 775841139 /nfs/dbraw/zinc/84/11/39/775841139.db2.gz RAGVZPFXQZQEDN-QWHCGFSZSA-N 2 1 310.398 -1.190 20 30 DAEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125221637 775841145 /nfs/dbraw/zinc/84/11/45/775841145.db2.gz RAGVZPFXQZQEDN-QWHCGFSZSA-N 2 1 310.398 -1.190 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780197 775864234 /nfs/dbraw/zinc/86/42/34/775864234.db2.gz WSTDXRSYMVHHLE-OLZOCXBDSA-N 2 1 308.382 -1.695 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273301145 776204496 /nfs/dbraw/zinc/20/44/96/776204496.db2.gz QBIUXSADVAMOHM-UONOGXRCSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129771100 776479842 /nfs/dbraw/zinc/47/98/42/776479842.db2.gz QVHJKCLULXLKFZ-AWEZNQCLSA-N 2 1 322.409 -1.351 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129771100 776479847 /nfs/dbraw/zinc/47/98/47/776479847.db2.gz QVHJKCLULXLKFZ-AWEZNQCLSA-N 2 1 322.409 -1.351 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001129791160 776480633 /nfs/dbraw/zinc/48/06/33/776480633.db2.gz VWBXKNQAAWXIKJ-MNOVXSKESA-N 2 1 309.370 -1.627 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001129791160 776480637 /nfs/dbraw/zinc/48/06/37/776480637.db2.gz VWBXKNQAAWXIKJ-MNOVXSKESA-N 2 1 309.370 -1.627 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001129771346 776481189 /nfs/dbraw/zinc/48/11/89/776481189.db2.gz WIBPRCAVZSUFCM-HNNXBMFYSA-N 2 1 324.425 -1.058 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001129771346 776481195 /nfs/dbraw/zinc/48/11/95/776481195.db2.gz WIBPRCAVZSUFCM-HNNXBMFYSA-N 2 1 324.425 -1.058 20 30 DAEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001132859180 776642979 /nfs/dbraw/zinc/64/29/79/776642979.db2.gz YLPSUDVYGYHHSW-GFCCVEGCSA-N 2 1 311.386 -1.559 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151739877 779684343 /nfs/dbraw/zinc/68/43/43/779684343.db2.gz OLKVEJGHGNXVIS-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151739877 779684349 /nfs/dbraw/zinc/68/43/49/779684349.db2.gz OLKVEJGHGNXVIS-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125060 779739009 /nfs/dbraw/zinc/73/90/09/779739009.db2.gz GLYRPOUUIZORQM-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125060 779739013 /nfs/dbraw/zinc/73/90/13/779739013.db2.gz GLYRPOUUIZORQM-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486186 779777252 /nfs/dbraw/zinc/77/72/52/779777252.db2.gz HKLLDZXIUDTLEB-UONOGXRCSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857929 779821223 /nfs/dbraw/zinc/82/12/23/779821223.db2.gz SDJFYFXMRVRXPD-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857929 779821231 /nfs/dbraw/zinc/82/12/31/779821231.db2.gz SDJFYFXMRVRXPD-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP N#Cc1c2c(cnc1N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)C[NH2+]CCC2 ZINC001162437526 779853592 /nfs/dbraw/zinc/85/35/92/779853592.db2.gz UMTDAKHXMGSGTG-YDHLFZDLSA-N 2 1 314.397 -1.514 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386445 779994099 /nfs/dbraw/zinc/99/40/99/779994099.db2.gz HNHHCCHEYVASLG-MGPQQGTHSA-N 2 1 322.409 -1.497 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386445 779994103 /nfs/dbraw/zinc/99/41/03/779994103.db2.gz HNHHCCHEYVASLG-MGPQQGTHSA-N 2 1 322.409 -1.497 20 30 DAEDMP C=C1C[NH2+][C@](C)(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678367 780134197 /nfs/dbraw/zinc/13/41/97/780134197.db2.gz MDTADRGOYPRQCT-ZDUSSCGKSA-N 2 1 316.427 -1.354 20 30 DAEDMP N#Cc1cccc(C[C@H]([NH3+])C(=O)NCCN2CC[NH2+]CC2=O)c1 ZINC001220871894 780254674 /nfs/dbraw/zinc/25/46/74/780254674.db2.gz BSJQGTRABSJURA-AWEZNQCLSA-N 2 1 315.377 -1.024 20 30 DAEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048913 780360838 /nfs/dbraw/zinc/36/08/38/780360838.db2.gz YXGIBSYNXJVMKF-UHFFFAOYSA-N 2 1 324.425 -1.105 20 30 DAEDMP C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278792455 780489551 /nfs/dbraw/zinc/48/95/51/780489551.db2.gz UEUCWTKWPFBMRY-CHWSQXEVSA-N 2 1 312.414 -1.208 20 30 DAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868842 780498895 /nfs/dbraw/zinc/49/88/95/780498895.db2.gz JKUPIBNYKYIECF-UONOGXRCSA-N 2 1 324.425 -1.419 20 30 DAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868842 780498899 /nfs/dbraw/zinc/49/88/99/780498899.db2.gz JKUPIBNYKYIECF-UONOGXRCSA-N 2 1 324.425 -1.419 20 30 DAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278868842 780498906 /nfs/dbraw/zinc/49/89/06/780498906.db2.gz JKUPIBNYKYIECF-UONOGXRCSA-N 2 1 324.425 -1.419 20 30 DAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278868842 780498911 /nfs/dbraw/zinc/49/89/11/780498911.db2.gz JKUPIBNYKYIECF-UONOGXRCSA-N 2 1 324.425 -1.419 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001263857706 780579426 /nfs/dbraw/zinc/57/94/26/780579426.db2.gz YMXYRQISNWINJY-MGPQQGTHSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001263857706 780579431 /nfs/dbraw/zinc/57/94/31/780579431.db2.gz YMXYRQISNWINJY-MGPQQGTHSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001283832827 780783426 /nfs/dbraw/zinc/78/34/26/780783426.db2.gz XTDSFMSITGWZIW-KBPBESRZSA-N 2 1 324.425 -1.323 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001283832827 780783429 /nfs/dbraw/zinc/78/34/29/780783429.db2.gz XTDSFMSITGWZIW-KBPBESRZSA-N 2 1 324.425 -1.323 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176635328 781621186 /nfs/dbraw/zinc/62/11/86/781621186.db2.gz BALDDRRCKLCMDE-KGLIPLIRSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176635328 781621193 /nfs/dbraw/zinc/62/11/93/781621193.db2.gz BALDDRRCKLCMDE-KGLIPLIRSA-N 2 1 324.425 -1.059 20 30 DAEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001176635806 781622251 /nfs/dbraw/zinc/62/22/51/781622251.db2.gz FSAXPAWBUDCZNB-GFCCVEGCSA-N 2 1 311.386 -1.557 20 30 DAEDMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001176635806 781622255 /nfs/dbraw/zinc/62/22/55/781622255.db2.gz FSAXPAWBUDCZNB-GFCCVEGCSA-N 2 1 311.386 -1.557 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183353885 781723743 /nfs/dbraw/zinc/72/37/43/781723743.db2.gz FXBNZOPPNYLDHM-NEPJUHHUSA-N 2 1 321.381 -1.531 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183353885 781723751 /nfs/dbraw/zinc/72/37/51/781723751.db2.gz FXBNZOPPNYLDHM-NEPJUHHUSA-N 2 1 321.381 -1.531 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943009 916166644 /nfs/dbraw/zinc/16/66/44/916166644.db2.gz FFCUDZXWEHJHBI-AWEZNQCLSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943009 916166653 /nfs/dbraw/zinc/16/66/53/916166653.db2.gz FFCUDZXWEHJHBI-AWEZNQCLSA-N 2 1 322.409 -1.353 20 30 DAEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+]1CCOCC1 ZINC001322025182 916614886 /nfs/dbraw/zinc/61/48/86/916614886.db2.gz YJZYHFRTMCNOMZ-LBPRGKRZSA-N 2 1 311.386 -1.557 20 30 DAEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322451487 916637316 /nfs/dbraw/zinc/63/73/16/916637316.db2.gz COCNJUNNXUOKQS-LBPRGKRZSA-N 2 1 311.386 -1.605 20 30 DAEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322451487 916637328 /nfs/dbraw/zinc/63/73/28/916637328.db2.gz COCNJUNNXUOKQS-LBPRGKRZSA-N 2 1 311.386 -1.605 20 30 DAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001325154141 916827268 /nfs/dbraw/zinc/82/72/68/916827268.db2.gz QJFZOCKVYPLWEY-CJNGLKHVSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001325154141 916827282 /nfs/dbraw/zinc/82/72/82/916827282.db2.gz QJFZOCKVYPLWEY-CJNGLKHVSA-N 2 1 324.425 -1.371 20 30 DAEDMP OC[C@@]1(O)CCCN(CC#CC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000625464913 372821955 /nfs/dbraw/zinc/82/19/55/372821955.db2.gz IUMOBHPBNNIGAZ-IYBDPMFKSA-N 2 1 312.410 -1.372 20 30 DAEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261832078 372873106 /nfs/dbraw/zinc/87/31/06/372873106.db2.gz BUUGLUGAUVELEC-LLVKDONJSA-N 2 1 311.386 -1.215 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001199944080 782189490 /nfs/dbraw/zinc/18/94/90/782189490.db2.gz ULPUHFOKABCCHP-ZDUSSCGKSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001199944080 782189493 /nfs/dbraw/zinc/18/94/93/782189493.db2.gz ULPUHFOKABCCHP-ZDUSSCGKSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000262268799 662424415 /nfs/dbraw/zinc/42/44/15/662424415.db2.gz GHWBCTCFJGMFFP-OAHLLOKOSA-N 2 1 319.413 -1.020 20 30 DAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083096445 663474281 /nfs/dbraw/zinc/47/42/81/663474281.db2.gz KPFDLQDSLQKQIM-JTQLQIEISA-N 2 1 303.432 -1.063 20 30 DAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083096445 663474284 /nfs/dbraw/zinc/47/42/84/663474284.db2.gz KPFDLQDSLQKQIM-JTQLQIEISA-N 2 1 303.432 -1.063 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC000958725145 664288892 /nfs/dbraw/zinc/28/88/92/664288892.db2.gz WDHRLSGCDIGMCZ-HUUCEWRRSA-N 2 1 309.410 -1.267 20 30 DAEDMP CS(=O)(=O)NCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303901703 664297797 /nfs/dbraw/zinc/29/77/97/664297797.db2.gz SVHUQDRGVQKGKQ-UHFFFAOYSA-N 2 1 321.447 -1.448 20 30 DAEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115120572 782642827 /nfs/dbraw/zinc/64/28/27/782642827.db2.gz BKULBAOUFILFMT-IMRBUKKESA-N 2 1 317.393 -1.232 20 30 DAEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115120572 782642833 /nfs/dbraw/zinc/64/28/33/782642833.db2.gz BKULBAOUFILFMT-IMRBUKKESA-N 2 1 317.393 -1.232 20 30 DAEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266584522 775159428 /nfs/dbraw/zinc/15/94/28/775159428.db2.gz GZODTKOHKGAMTL-AVGNSLFASA-N 2 1 310.398 -1.144 20 30 DAEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266584522 775159435 /nfs/dbraw/zinc/15/94/35/775159435.db2.gz GZODTKOHKGAMTL-AVGNSLFASA-N 2 1 310.398 -1.144 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266676362 775167746 /nfs/dbraw/zinc/16/77/46/775167746.db2.gz HYZHBFKLVMXUBH-GRYCIOLGSA-N 2 1 309.370 -1.806 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266676362 775167752 /nfs/dbraw/zinc/16/77/52/775167752.db2.gz HYZHBFKLVMXUBH-GRYCIOLGSA-N 2 1 309.370 -1.806 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001267189827 775210245 /nfs/dbraw/zinc/21/02/45/775210245.db2.gz WCGCBTQEJZNBPJ-CHWSQXEVSA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001267189827 775210254 /nfs/dbraw/zinc/21/02/54/775210254.db2.gz WCGCBTQEJZNBPJ-CHWSQXEVSA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268353927 775379149 /nfs/dbraw/zinc/37/91/49/775379149.db2.gz IKEGTUALRNSCKD-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268353927 775379157 /nfs/dbraw/zinc/37/91/57/775379157.db2.gz IKEGTUALRNSCKD-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268952835 775431516 /nfs/dbraw/zinc/43/15/16/775431516.db2.gz DMMGSCHJMKFIHJ-AWEZNQCLSA-N 2 1 324.425 -1.105 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268952835 775431524 /nfs/dbraw/zinc/43/15/24/775431524.db2.gz DMMGSCHJMKFIHJ-AWEZNQCLSA-N 2 1 324.425 -1.105 20 30 DAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001271184220 775556216 /nfs/dbraw/zinc/55/62/16/775556216.db2.gz JHHXITYZFVNUIO-MRXNPFEDSA-N 2 1 324.425 -1.369 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001271184220 775556224 /nfs/dbraw/zinc/55/62/24/775556224.db2.gz JHHXITYZFVNUIO-MRXNPFEDSA-N 2 1 324.425 -1.369 20 30 DAEDMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001272413224 775759874 /nfs/dbraw/zinc/75/98/74/775759874.db2.gz ALGDXRRHLAOATP-IJLUTSLNSA-N 2 1 311.386 -1.967 20 30 DAEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125221635 775842184 /nfs/dbraw/zinc/84/21/84/775842184.db2.gz RAGVZPFXQZQEDN-CHWSQXEVSA-N 2 1 310.398 -1.190 20 30 DAEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125221635 775842195 /nfs/dbraw/zinc/84/21/95/775842195.db2.gz RAGVZPFXQZQEDN-CHWSQXEVSA-N 2 1 310.398 -1.190 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780439 775863650 /nfs/dbraw/zinc/86/36/50/775863650.db2.gz YYJJHESEVPPYQU-CHWSQXEVSA-N 2 1 310.398 -1.142 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001129790563 776479765 /nfs/dbraw/zinc/47/97/65/776479765.db2.gz AYZDEOOCEXVDIJ-NEPJUHHUSA-N 2 1 323.397 -1.366 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001129790563 776479768 /nfs/dbraw/zinc/47/97/68/776479768.db2.gz AYZDEOOCEXVDIJ-NEPJUHHUSA-N 2 1 323.397 -1.366 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001129771353 776481396 /nfs/dbraw/zinc/48/13/96/776481396.db2.gz WLUQPXDYGPOYPI-ZDUSSCGKSA-N 2 1 307.398 -1.185 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001129771353 776481402 /nfs/dbraw/zinc/48/14/02/776481402.db2.gz WLUQPXDYGPOYPI-ZDUSSCGKSA-N 2 1 307.398 -1.185 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852779 776643302 /nfs/dbraw/zinc/64/33/02/776643302.db2.gz UIXKUKXCWLDTJO-ZIAGYGMSSA-N 2 1 324.425 -1.061 20 30 DAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049259 779670021 /nfs/dbraw/zinc/67/00/21/779670021.db2.gz LRNXANANMAJRRN-LLVKDONJSA-N 2 1 311.386 -1.344 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486184 779776386 /nfs/dbraw/zinc/77/63/86/779776386.db2.gz HKLLDZXIUDTLEB-KBPBESRZSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001160198225 779802837 /nfs/dbraw/zinc/80/28/37/779802837.db2.gz XUTOTVCDXGMTTO-NSHDSACASA-N 2 1 309.370 -1.625 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001160198225 779802843 /nfs/dbraw/zinc/80/28/43/779802843.db2.gz XUTOTVCDXGMTTO-NSHDSACASA-N 2 1 309.370 -1.625 20 30 DAEDMP N#Cc1c2c(cnc1N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)C[NH2+]CCC2 ZINC001162437525 779853937 /nfs/dbraw/zinc/85/39/37/779853937.db2.gz UMTDAKHXMGSGTG-VNHYZAJKSA-N 2 1 314.397 -1.514 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535756 779879553 /nfs/dbraw/zinc/87/95/53/779879553.db2.gz DMTPEOXLAHYJDJ-AWEZNQCLSA-N 2 1 324.425 -1.059 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737660 779924528 /nfs/dbraw/zinc/92/45/28/779924528.db2.gz JBSZKQHJPMANBE-OLZOCXBDSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737660 779924532 /nfs/dbraw/zinc/92/45/32/779924532.db2.gz JBSZKQHJPMANBE-OLZOCXBDSA-N 2 1 323.397 -1.463 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735176 779924725 /nfs/dbraw/zinc/92/47/25/779924725.db2.gz XUAVOADIOKYDSF-KGLIPLIRSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735176 779924732 /nfs/dbraw/zinc/92/47/32/779924732.db2.gz XUAVOADIOKYDSF-KGLIPLIRSA-N 2 1 322.409 -1.353 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737662 779926801 /nfs/dbraw/zinc/92/68/01/779926801.db2.gz JBSZKQHJPMANBE-QWHCGFSZSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737662 779926803 /nfs/dbraw/zinc/92/68/03/779926803.db2.gz JBSZKQHJPMANBE-QWHCGFSZSA-N 2 1 323.397 -1.463 20 30 DAEDMP N#Cc1c(N)nc(=NC2CC2)n(C(=O)C[NH2+]CCC[NH3+])c1N ZINC001218596666 780035802 /nfs/dbraw/zinc/03/58/02/780035802.db2.gz LDXIGJVMHLSUNS-UHFFFAOYSA-N 2 1 304.358 -1.439 20 30 DAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278883009 780502415 /nfs/dbraw/zinc/50/24/15/780502415.db2.gz QRENHZKQLYLZHX-CQSZACIVSA-N 2 1 324.425 -1.417 20 30 DAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278883009 780502420 /nfs/dbraw/zinc/50/24/20/780502420.db2.gz QRENHZKQLYLZHX-CQSZACIVSA-N 2 1 324.425 -1.417 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001281137350 780668239 /nfs/dbraw/zinc/66/82/39/780668239.db2.gz KTHNKXIUFKOEDN-XJKSGUPXSA-N 2 1 322.409 -1.488 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001281137350 780668242 /nfs/dbraw/zinc/66/82/42/780668242.db2.gz KTHNKXIUFKOEDN-XJKSGUPXSA-N 2 1 322.409 -1.488 20 30 DAEDMP C#CCNC(=O)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001281817748 780692108 /nfs/dbraw/zinc/69/21/08/780692108.db2.gz UTGDLLYELIIOEO-UHFFFAOYSA-N 2 1 324.425 -1.369 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090831133 781355424 /nfs/dbraw/zinc/35/54/24/781355424.db2.gz ROMVPYLPYCTLFG-HUUCEWRRSA-N 2 1 309.410 -1.125 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176635329 781620755 /nfs/dbraw/zinc/62/07/55/781620755.db2.gz BALDDRRCKLCMDE-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176635329 781620752 /nfs/dbraw/zinc/62/07/52/781620752.db2.gz BALDDRRCKLCMDE-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176635361 781621013 /nfs/dbraw/zinc/62/10/13/781621013.db2.gz BWARSASOUQPIGD-ZDUSSCGKSA-N 2 1 310.398 -1.448 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176635361 781621018 /nfs/dbraw/zinc/62/10/18/781621018.db2.gz BWARSASOUQPIGD-ZDUSSCGKSA-N 2 1 310.398 -1.448 20 30 DAEDMP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355803 781776588 /nfs/dbraw/zinc/77/65/88/781776588.db2.gz NMACDNPTUZQLHR-CYBMUJFWSA-N 2 1 323.397 -1.461 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001317113463 916266239 /nfs/dbraw/zinc/26/62/39/916266239.db2.gz OPHINAFVTXGQDU-TUAOUCFPSA-N 2 1 321.381 -1.484 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001317113463 916266268 /nfs/dbraw/zinc/26/62/68/916266268.db2.gz OPHINAFVTXGQDU-TUAOUCFPSA-N 2 1 321.381 -1.484 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001317276570 916282974 /nfs/dbraw/zinc/28/29/74/916282974.db2.gz MPOVBBDYKMDBAZ-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001317276573 916283844 /nfs/dbraw/zinc/28/38/44/916283844.db2.gz MPOVBBDYKMDBAZ-ZIAGYGMSSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001318512103 916401116 /nfs/dbraw/zinc/40/11/16/916401116.db2.gz NGVXPATYFMIIJC-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001318512103 916401127 /nfs/dbraw/zinc/40/11/27/916401127.db2.gz NGVXPATYFMIIJC-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320232137 916479736 /nfs/dbraw/zinc/47/97/36/916479736.db2.gz CDJFTUJONWUKNW-KGLIPLIRSA-N 2 1 322.409 -1.617 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320232137 916479748 /nfs/dbraw/zinc/47/97/48/916479748.db2.gz CDJFTUJONWUKNW-KGLIPLIRSA-N 2 1 322.409 -1.617 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320297022 916501558 /nfs/dbraw/zinc/50/15/58/916501558.db2.gz XCDQFLQNTUPELS-STQMWFEESA-N 2 1 310.398 -1.856 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320297020 916501796 /nfs/dbraw/zinc/50/17/96/916501796.db2.gz XCDQFLQNTUPELS-OLZOCXBDSA-N 2 1 310.398 -1.856 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001330778762 917267451 /nfs/dbraw/zinc/26/74/51/917267451.db2.gz FFXBZANENBHLBM-KGLIPLIRSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001330778762 917267469 /nfs/dbraw/zinc/26/74/69/917267469.db2.gz FFXBZANENBHLBM-KGLIPLIRSA-N 2 1 324.425 -1.059 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639846538 373288306 /nfs/dbraw/zinc/28/83/06/373288306.db2.gz BCDMTLPHXVXFCX-SYMSYNOKSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[N@H+]1CC#CC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639846538 373288312 /nfs/dbraw/zinc/28/83/12/373288312.db2.gz BCDMTLPHXVXFCX-SYMSYNOKSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC#CC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639846538 373288318 /nfs/dbraw/zinc/28/83/18/373288318.db2.gz BCDMTLPHXVXFCX-SYMSYNOKSA-N 2 1 312.410 -1.375 20 30 DAEDMP OC[C@H]1CCN(CC#CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000568558317 373545847 /nfs/dbraw/zinc/54/58/47/373545847.db2.gz VESGYULXGKKDJY-GEEKYZPCSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@@H+](CC#CCN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000568558317 373545854 /nfs/dbraw/zinc/54/58/54/373545854.db2.gz VESGYULXGKKDJY-GEEKYZPCSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@H+](CC#CCN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000568558317 373545861 /nfs/dbraw/zinc/54/58/61/373545861.db2.gz VESGYULXGKKDJY-GEEKYZPCSA-N 2 1 312.410 -1.660 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC000958725146 664288764 /nfs/dbraw/zinc/28/87/64/664288764.db2.gz WDHRLSGCDIGMCZ-LSDHHAIUSA-N 2 1 309.410 -1.267 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200720754 782205855 /nfs/dbraw/zinc/20/58/55/782205855.db2.gz CPNUFVDOAJYEQS-KGLIPLIRSA-N 2 1 322.409 -1.224 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200720754 782205858 /nfs/dbraw/zinc/20/58/58/782205858.db2.gz CPNUFVDOAJYEQS-KGLIPLIRSA-N 2 1 322.409 -1.224 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001280680947 782279401 /nfs/dbraw/zinc/27/94/01/782279401.db2.gz JADWAGMFPKULGN-AWEZNQCLSA-N 2 1 324.425 -1.107 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001275214962 782305610 /nfs/dbraw/zinc/30/56/10/782305610.db2.gz JFSVAWNGYSGQSF-RUXDESIVSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001275214962 782305619 /nfs/dbraw/zinc/30/56/19/782305619.db2.gz JFSVAWNGYSGQSF-RUXDESIVSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118658 782642618 /nfs/dbraw/zinc/64/26/18/782642618.db2.gz JROOEUWAVKBPNX-VIKVFOODSA-N 2 1 322.409 -1.640 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118658 782642622 /nfs/dbraw/zinc/64/26/22/782642622.db2.gz JROOEUWAVKBPNX-VIKVFOODSA-N 2 1 322.409 -1.640 20 30 DAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001267025099 775195883 /nfs/dbraw/zinc/19/58/83/775195883.db2.gz IRNSCZTZAZWYSG-STQMWFEESA-N 2 1 323.397 -1.463 20 30 DAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001267025099 775195887 /nfs/dbraw/zinc/19/58/87/775195887.db2.gz IRNSCZTZAZWYSG-STQMWFEESA-N 2 1 323.397 -1.463 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001267189828 775210122 /nfs/dbraw/zinc/21/01/22/775210122.db2.gz WCGCBTQEJZNBPJ-OLZOCXBDSA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001267189828 775210126 /nfs/dbraw/zinc/21/01/26/775210126.db2.gz WCGCBTQEJZNBPJ-OLZOCXBDSA-N 2 1 310.398 -1.497 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267831561 775284365 /nfs/dbraw/zinc/28/43/65/775284365.db2.gz RVUMGAPQSMAZTK-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267831561 775284369 /nfs/dbraw/zinc/28/43/69/775284369.db2.gz RVUMGAPQSMAZTK-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268014193 775314491 /nfs/dbraw/zinc/31/44/91/775314491.db2.gz MXOIFAPCUJHUIC-KGLIPLIRSA-N 2 1 324.425 -1.202 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268014193 775314503 /nfs/dbraw/zinc/31/45/03/775314503.db2.gz MXOIFAPCUJHUIC-KGLIPLIRSA-N 2 1 324.425 -1.202 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268353925 775378458 /nfs/dbraw/zinc/37/84/58/775378458.db2.gz IKEGTUALRNSCKD-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268353925 775378471 /nfs/dbraw/zinc/37/84/71/775378471.db2.gz IKEGTUALRNSCKD-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268353926 775378524 /nfs/dbraw/zinc/37/85/24/775378524.db2.gz IKEGTUALRNSCKD-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268353926 775378534 /nfs/dbraw/zinc/37/85/34/775378534.db2.gz IKEGTUALRNSCKD-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC(N)=O ZINC001268459640 775386193 /nfs/dbraw/zinc/38/61/93/775386193.db2.gz YMFVNOSXDPEZRX-LBPRGKRZSA-N 2 1 323.397 -1.283 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC(N)=O ZINC001268459640 775386199 /nfs/dbraw/zinc/38/61/99/775386199.db2.gz YMFVNOSXDPEZRX-LBPRGKRZSA-N 2 1 323.397 -1.283 20 30 DAEDMP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268524157 775394420 /nfs/dbraw/zinc/39/44/20/775394420.db2.gz ZOOKACSCECTZTG-DSYXLKISSA-N 2 1 310.398 -1.119 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268691020 775415932 /nfs/dbraw/zinc/41/59/32/775415932.db2.gz YXFUUDDLMCEAQR-STQMWFEESA-N 2 1 305.382 -1.182 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268691020 775415937 /nfs/dbraw/zinc/41/59/37/775415937.db2.gz YXFUUDDLMCEAQR-STQMWFEESA-N 2 1 305.382 -1.182 20 30 DAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001271184219 775554729 /nfs/dbraw/zinc/55/47/29/775554729.db2.gz JHHXITYZFVNUIO-INIZCTEOSA-N 2 1 324.425 -1.369 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001271184219 775554733 /nfs/dbraw/zinc/55/47/33/775554733.db2.gz JHHXITYZFVNUIO-INIZCTEOSA-N 2 1 324.425 -1.369 20 30 DAEDMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N)C1 ZINC001272307562 775748340 /nfs/dbraw/zinc/74/83/40/775748340.db2.gz SZTFLNUELZEOKW-GFCCVEGCSA-N 2 1 311.386 -2.012 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272413765 775758223 /nfs/dbraw/zinc/75/82/23/775758223.db2.gz IQIRZXPPDDJXAI-JHJVBQTASA-N 2 1 310.398 -1.857 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780196 775864162 /nfs/dbraw/zinc/86/41/62/775864162.db2.gz WSTDXRSYMVHHLE-CHWSQXEVSA-N 2 1 308.382 -1.695 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780199 775864399 /nfs/dbraw/zinc/86/43/99/775864399.db2.gz WSTDXRSYMVHHLE-STQMWFEESA-N 2 1 308.382 -1.695 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779114 775864768 /nfs/dbraw/zinc/86/47/68/775864768.db2.gz JGJQTRROAQRBBG-RYUDHWBXSA-N 2 1 309.370 -1.805 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001272837731 775916839 /nfs/dbraw/zinc/91/68/39/775916839.db2.gz LOAVJDKVOGKWIO-RYUDHWBXSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001272837731 775916846 /nfs/dbraw/zinc/91/68/46/775916846.db2.gz LOAVJDKVOGKWIO-RYUDHWBXSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)CC1 ZINC001084090126 776167999 /nfs/dbraw/zinc/16/79/99/776167999.db2.gz LKLOWZCBSYTAGT-YUELXQCFSA-N 2 1 309.410 -1.126 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129380151 776325349 /nfs/dbraw/zinc/32/53/49/776325349.db2.gz FARKFWDVAPGSRD-CYBMUJFWSA-N 2 1 322.413 -1.179 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387131 776332639 /nfs/dbraw/zinc/33/26/39/776332639.db2.gz SKOHPBGXGUGWQH-ZDUSSCGKSA-N 2 1 320.397 -1.732 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001129770549 776479973 /nfs/dbraw/zinc/47/99/73/776479973.db2.gz IJRSXEGNKFDGMK-LBPRGKRZSA-N 2 1 316.427 -1.661 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001129770549 776479980 /nfs/dbraw/zinc/47/99/80/776479980.db2.gz IJRSXEGNKFDGMK-LBPRGKRZSA-N 2 1 316.427 -1.661 20 30 DAEDMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001132859226 776643343 /nfs/dbraw/zinc/64/33/43/776643343.db2.gz YLPSUDVYGYHHSW-LBPRGKRZSA-N 2 1 311.386 -1.559 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852776 776643753 /nfs/dbraw/zinc/64/37/53/776643753.db2.gz UIXKUKXCWLDTJO-KBPBESRZSA-N 2 1 324.425 -1.061 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212351 776759179 /nfs/dbraw/zinc/75/91/79/776759179.db2.gz YMXYRQISNWINJY-RUXDESIVSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212351 776759182 /nfs/dbraw/zinc/75/91/82/776759182.db2.gz YMXYRQISNWINJY-RUXDESIVSA-N 2 1 322.409 -1.449 20 30 DAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872494 779604534 /nfs/dbraw/zinc/60/45/34/779604534.db2.gz HUKFXTWRZGLLCK-LLVKDONJSA-N 2 1 311.386 -1.202 20 30 DAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049260 779669405 /nfs/dbraw/zinc/66/94/05/779669405.db2.gz LRNXANANMAJRRN-NSHDSACASA-N 2 1 311.386 -1.344 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151739873 779683532 /nfs/dbraw/zinc/68/35/32/779683532.db2.gz OLKVEJGHGNXVIS-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151739873 779683536 /nfs/dbraw/zinc/68/35/36/779683536.db2.gz OLKVEJGHGNXVIS-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP CC(C)C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)NO ZINC001157303724 779750591 /nfs/dbraw/zinc/75/05/91/779750591.db2.gz LQZWHKILTBTGCO-NEPJUHHUSA-N 2 1 315.418 -1.227 20 30 DAEDMP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)NO ZINC001157303725 779751311 /nfs/dbraw/zinc/75/13/11/779751311.db2.gz LQZWHKILTBTGCO-RYUDHWBXSA-N 2 1 315.418 -1.227 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486187 779776900 /nfs/dbraw/zinc/77/69/00/779776900.db2.gz HKLLDZXIUDTLEB-ZIAGYGMSSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486185 779777217 /nfs/dbraw/zinc/77/72/17/779777217.db2.gz HKLLDZXIUDTLEB-KGLIPLIRSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001160197766 779803106 /nfs/dbraw/zinc/80/31/06/779803106.db2.gz FPNYUXRXROHGOV-STQMWFEESA-N 2 1 320.393 -1.015 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001160197766 779803113 /nfs/dbraw/zinc/80/31/13/779803113.db2.gz FPNYUXRXROHGOV-STQMWFEESA-N 2 1 320.393 -1.015 20 30 DAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)O1 ZINC001160862303 779821188 /nfs/dbraw/zinc/82/11/88/779821188.db2.gz MEQMTZNVHSZQCR-VXGBXAGGSA-N 2 1 311.386 -1.559 20 30 DAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)O1 ZINC001160862303 779821193 /nfs/dbraw/zinc/82/11/93/779821193.db2.gz MEQMTZNVHSZQCR-VXGBXAGGSA-N 2 1 311.386 -1.559 20 30 DAEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214388984 779993205 /nfs/dbraw/zinc/99/32/05/779993205.db2.gz OQMDDPZOZDGSRJ-UPJWGTAASA-N 2 1 323.397 -1.607 20 30 DAEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214388984 779993213 /nfs/dbraw/zinc/99/32/13/779993213.db2.gz OQMDDPZOZDGSRJ-UPJWGTAASA-N 2 1 323.397 -1.607 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278085802 780426947 /nfs/dbraw/zinc/42/69/47/780426947.db2.gz RUYPAUUVCOYUMN-MELADBBJSA-N 2 1 324.425 -1.467 20 30 DAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868843 780499494 /nfs/dbraw/zinc/49/94/94/780499494.db2.gz JKUPIBNYKYIECF-ZIAGYGMSSA-N 2 1 324.425 -1.419 20 30 DAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868843 780499496 /nfs/dbraw/zinc/49/94/96/780499496.db2.gz JKUPIBNYKYIECF-ZIAGYGMSSA-N 2 1 324.425 -1.419 20 30 DAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278868843 780499498 /nfs/dbraw/zinc/49/94/98/780499498.db2.gz JKUPIBNYKYIECF-ZIAGYGMSSA-N 2 1 324.425 -1.419 20 30 DAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278868843 780499500 /nfs/dbraw/zinc/49/95/00/780499500.db2.gz JKUPIBNYKYIECF-ZIAGYGMSSA-N 2 1 324.425 -1.419 20 30 DAEDMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001283758558 780773177 /nfs/dbraw/zinc/77/31/77/780773177.db2.gz AIZSRZDRAXPQGL-GRYCIOLGSA-N 2 1 311.386 -1.967 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001283832831 780783361 /nfs/dbraw/zinc/78/33/61/780783361.db2.gz XTDSFMSITGWZIW-ZIAGYGMSSA-N 2 1 324.425 -1.323 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001283832831 780783366 /nfs/dbraw/zinc/78/33/66/780783366.db2.gz XTDSFMSITGWZIW-ZIAGYGMSSA-N 2 1 324.425 -1.323 20 30 DAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)O1 ZINC001183576485 781727082 /nfs/dbraw/zinc/72/70/82/781727082.db2.gz OYWSXSUZBQPESL-JHJVBQTASA-N 2 1 323.397 -1.464 20 30 DAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)O1 ZINC001183576485 781727089 /nfs/dbraw/zinc/72/70/89/781727089.db2.gz OYWSXSUZBQPESL-JHJVBQTASA-N 2 1 323.397 -1.464 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187982563 781813191 /nfs/dbraw/zinc/81/31/91/781813191.db2.gz MYDGBXSCPIJBNQ-ZIAGYGMSSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982563 781813202 /nfs/dbraw/zinc/81/32/02/781813202.db2.gz MYDGBXSCPIJBNQ-ZIAGYGMSSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001317276572 916282750 /nfs/dbraw/zinc/28/27/50/916282750.db2.gz MPOVBBDYKMDBAZ-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320232136 916479468 /nfs/dbraw/zinc/47/94/68/916479468.db2.gz CDJFTUJONWUKNW-KBPBESRZSA-N 2 1 322.409 -1.617 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320232136 916479481 /nfs/dbraw/zinc/47/94/81/916479481.db2.gz CDJFTUJONWUKNW-KBPBESRZSA-N 2 1 322.409 -1.617 20 30 DAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001325154142 916824223 /nfs/dbraw/zinc/82/42/23/916824223.db2.gz QJFZOCKVYPLWEY-CZUORRHYSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001325154142 916824232 /nfs/dbraw/zinc/82/42/32/916824232.db2.gz QJFZOCKVYPLWEY-CZUORRHYSA-N 2 1 324.425 -1.371 20 30 DAEDMP NC(=O)[C@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC001327836881 917045802 /nfs/dbraw/zinc/04/58/02/917045802.db2.gz ZBEFKTDNWRZXOL-KBPBESRZSA-N 2 1 310.354 -3.166 20 30 DAEDMP NC(=O)[C@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@@](O)(C(N)=O)C2)C1 ZINC001327836881 917045811 /nfs/dbraw/zinc/04/58/11/917045811.db2.gz ZBEFKTDNWRZXOL-KBPBESRZSA-N 2 1 310.354 -3.166 20 30 DAEDMP OC[C@H]1CC[C@H](CO)[NH+]1CC#CC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347294458 373264370 /nfs/dbraw/zinc/26/43/70/373264370.db2.gz DFRHSZLSHBCECK-FPCVCCKLSA-N 2 1 312.410 -1.375 20 30 DAEDMP CN(CCC#N)C[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000566063884 373524743 /nfs/dbraw/zinc/52/47/43/373524743.db2.gz OTJGYUBSDPVIOI-CQSZACIVSA-N 2 1 311.430 -1.054 20 30 DAEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305156381 337015889 /nfs/dbraw/zinc/01/58/89/337015889.db2.gz AEJAFKNFDYLAKO-CQSZACIVSA-N 3 1 310.446 -1.387 20 30 DAEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000262268797 662424678 /nfs/dbraw/zinc/42/46/78/662424678.db2.gz GHWBCTCFJGMFFP-HNNXBMFYSA-N 2 1 319.413 -1.020 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC000958725143 664288662 /nfs/dbraw/zinc/28/86/62/664288662.db2.gz WDHRLSGCDIGMCZ-GJZGRUSLSA-N 2 1 309.410 -1.267 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958723715 664288819 /nfs/dbraw/zinc/28/88/19/664288819.db2.gz JBAUXPZSXMBHOT-KBPBESRZSA-N 2 1 322.409 -1.774 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958723715 664288821 /nfs/dbraw/zinc/28/88/21/664288821.db2.gz JBAUXPZSXMBHOT-KBPBESRZSA-N 2 1 322.409 -1.774 20 30 DAEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)N1CCOCC1 ZINC000305784207 664344972 /nfs/dbraw/zinc/34/49/72/664344972.db2.gz QXESFHABTJACSV-UHFFFAOYSA-N 2 1 313.402 -1.528 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)CC1 ZINC001078227155 677920134 /nfs/dbraw/zinc/92/01/34/677920134.db2.gz LKLOWZCBSYTAGT-BPLDGKMQSA-N 2 1 309.410 -1.126 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001078227330 677920216 /nfs/dbraw/zinc/92/02/16/677920216.db2.gz VILKPMFHMKHFIK-HUUCEWRRSA-N 2 1 309.410 -1.125 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267124579 775206694 /nfs/dbraw/zinc/20/66/94/775206694.db2.gz BJIQBIUIVFIJFO-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267124579 775206696 /nfs/dbraw/zinc/20/66/96/775206696.db2.gz BJIQBIUIVFIJFO-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001267386538 775234196 /nfs/dbraw/zinc/23/41/96/775234196.db2.gz LINAHHLQPPSMKQ-RYUDHWBXSA-N 2 1 323.397 -1.285 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001267386538 775234199 /nfs/dbraw/zinc/23/41/99/775234199.db2.gz LINAHHLQPPSMKQ-RYUDHWBXSA-N 2 1 323.397 -1.285 20 30 DAEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC[NH+]1CCOCC1 ZINC001267441851 775241354 /nfs/dbraw/zinc/24/13/54/775241354.db2.gz WLATVVIKDPHNDU-UHFFFAOYSA-N 2 1 311.386 -1.604 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267831564 775284888 /nfs/dbraw/zinc/28/48/88/775284888.db2.gz RVUMGAPQSMAZTK-ZIAGYGMSSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267831564 775284890 /nfs/dbraw/zinc/28/48/90/775284890.db2.gz RVUMGAPQSMAZTK-ZIAGYGMSSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001268068148 775342487 /nfs/dbraw/zinc/34/24/87/775342487.db2.gz JZIPXWNZAVSENQ-NEPJUHHUSA-N 2 1 323.397 -1.285 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001268068148 775342497 /nfs/dbraw/zinc/34/24/97/775342497.db2.gz JZIPXWNZAVSENQ-NEPJUHHUSA-N 2 1 323.397 -1.285 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296594 775359110 /nfs/dbraw/zinc/35/91/10/775359110.db2.gz HKAYENDNDRFANU-MNOVXSKESA-N 2 1 313.358 -2.977 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296594 775359125 /nfs/dbraw/zinc/35/91/25/775359125.db2.gz HKAYENDNDRFANU-MNOVXSKESA-N 2 1 313.358 -2.977 20 30 DAEDMP COCC#CC[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001268325794 775371996 /nfs/dbraw/zinc/37/19/96/775371996.db2.gz AUNJBPRDLRJURN-AWEZNQCLSA-N 2 1 313.398 -1.575 20 30 DAEDMP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268524163 775393860 /nfs/dbraw/zinc/39/38/60/775393860.db2.gz ZOOKACSCECTZTG-IHVVCDCBSA-N 2 1 310.398 -1.119 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001271044552 775525675 /nfs/dbraw/zinc/52/56/75/775525675.db2.gz SALBUKBUPRTTFT-ZDUSSCGKSA-N 2 1 322.409 -1.176 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001271044552 775525684 /nfs/dbraw/zinc/52/56/84/775525684.db2.gz SALBUKBUPRTTFT-ZDUSSCGKSA-N 2 1 322.409 -1.176 20 30 DAEDMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001272413223 775759807 /nfs/dbraw/zinc/75/98/07/775759807.db2.gz ALGDXRRHLAOATP-GRYCIOLGSA-N 2 1 311.386 -1.967 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001272444061 775761965 /nfs/dbraw/zinc/76/19/65/775761965.db2.gz RHZWTFGQZDXTCV-GJZGRUSLSA-N 2 1 307.394 -1.200 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001272444061 775761974 /nfs/dbraw/zinc/76/19/74/775761974.db2.gz RHZWTFGQZDXTCV-GJZGRUSLSA-N 2 1 307.394 -1.200 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780442 775864273 /nfs/dbraw/zinc/86/42/73/775864273.db2.gz YYJJHESEVPPYQU-STQMWFEESA-N 2 1 310.398 -1.142 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001273061621 775975920 /nfs/dbraw/zinc/97/59/20/775975920.db2.gz NEABCCVIMQSVFF-ZDUSSCGKSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001273061621 775975930 /nfs/dbraw/zinc/97/59/30/775975930.db2.gz NEABCCVIMQSVFF-ZDUSSCGKSA-N 2 1 322.409 -1.305 20 30 DAEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273235749 776191562 /nfs/dbraw/zinc/19/15/62/776191562.db2.gz BWVUSQCGUFWJIF-CHWSQXEVSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273235751 776191980 /nfs/dbraw/zinc/19/19/80/776191980.db2.gz BWVUSQCGUFWJIF-QWHCGFSZSA-N 2 1 323.397 -1.463 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114040888 776444723 /nfs/dbraw/zinc/44/47/23/776444723.db2.gz DGYYTRVRMDHJMN-COMQUAJESA-N 2 1 304.394 -1.124 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114040888 776444727 /nfs/dbraw/zinc/44/47/27/776444727.db2.gz DGYYTRVRMDHJMN-COMQUAJESA-N 2 1 304.394 -1.124 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114040888 776444730 /nfs/dbraw/zinc/44/47/30/776444730.db2.gz DGYYTRVRMDHJMN-COMQUAJESA-N 2 1 304.394 -1.124 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114040888 776444734 /nfs/dbraw/zinc/44/47/34/776444734.db2.gz DGYYTRVRMDHJMN-COMQUAJESA-N 2 1 304.394 -1.124 20 30 DAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380757 776568966 /nfs/dbraw/zinc/56/89/66/776568966.db2.gz ZWMCZDPYAKKSBV-UHFFFAOYSA-N 2 1 322.369 -1.091 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848784 776643535 /nfs/dbraw/zinc/64/35/35/776643535.db2.gz RMTFXYLKGYNGGP-CYBMUJFWSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125057 779738751 /nfs/dbraw/zinc/73/87/51/779738751.db2.gz GLYRPOUUIZORQM-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125057 779738753 /nfs/dbraw/zinc/73/87/53/779738753.db2.gz GLYRPOUUIZORQM-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535757 779879528 /nfs/dbraw/zinc/87/95/28/779879528.db2.gz DMTPEOXLAHYJDJ-CQSZACIVSA-N 2 1 324.425 -1.059 20 30 DAEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874229 780254887 /nfs/dbraw/zinc/25/48/87/780254887.db2.gz FTQYAISBMBYNDM-AWEZNQCLSA-N 2 1 315.377 -1.024 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001278826611 780494281 /nfs/dbraw/zinc/49/42/81/780494281.db2.gz ARLCZBHCTYSDPS-MRXNPFEDSA-N 2 1 322.409 -1.630 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001278826611 780494284 /nfs/dbraw/zinc/49/42/84/780494284.db2.gz ARLCZBHCTYSDPS-MRXNPFEDSA-N 2 1 322.409 -1.630 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001263857705 780579642 /nfs/dbraw/zinc/57/96/42/780579642.db2.gz YMXYRQISNWINJY-IHRRRGAJSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001263857705 780579644 /nfs/dbraw/zinc/57/96/44/780579644.db2.gz YMXYRQISNWINJY-IHRRRGAJSA-N 2 1 322.409 -1.449 20 30 DAEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265506943 780603730 /nfs/dbraw/zinc/60/37/30/780603730.db2.gz BBJWWHGZKHDGBF-AVGNSLFASA-N 2 1 323.397 -1.416 20 30 DAEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265506943 780603734 /nfs/dbraw/zinc/60/37/34/780603734.db2.gz BBJWWHGZKHDGBF-AVGNSLFASA-N 2 1 323.397 -1.416 20 30 DAEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265499167 780603771 /nfs/dbraw/zinc/60/37/71/780603771.db2.gz WWZUYLPFPNRTNR-JOCQHMNTSA-N 2 1 323.397 -1.415 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001280653007 780640983 /nfs/dbraw/zinc/64/09/83/780640983.db2.gz VMCKZYUJVYKKJS-AWEZNQCLSA-N 2 1 324.425 -1.105 20 30 DAEDMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001283758559 780773398 /nfs/dbraw/zinc/77/33/98/780773398.db2.gz AIZSRZDRAXPQGL-IJLUTSLNSA-N 2 1 311.386 -1.967 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001283832828 780783985 /nfs/dbraw/zinc/78/39/85/780783985.db2.gz XTDSFMSITGWZIW-KGLIPLIRSA-N 2 1 324.425 -1.323 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001283832828 780783988 /nfs/dbraw/zinc/78/39/88/780783988.db2.gz XTDSFMSITGWZIW-KGLIPLIRSA-N 2 1 324.425 -1.323 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090831132 781356343 /nfs/dbraw/zinc/35/63/43/781356343.db2.gz ROMVPYLPYCTLFG-GJZGRUSLSA-N 2 1 309.410 -1.125 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176635360 781620946 /nfs/dbraw/zinc/62/09/46/781620946.db2.gz BWARSASOUQPIGD-CYBMUJFWSA-N 2 1 310.398 -1.448 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176635360 781620952 /nfs/dbraw/zinc/62/09/52/781620952.db2.gz BWARSASOUQPIGD-CYBMUJFWSA-N 2 1 310.398 -1.448 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576491 781727161 /nfs/dbraw/zinc/72/71/61/781727161.db2.gz PAUZXDKCEVEMMT-MGPQQGTHSA-N 2 1 322.409 -1.355 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576491 781727166 /nfs/dbraw/zinc/72/71/66/781727166.db2.gz PAUZXDKCEVEMMT-MGPQQGTHSA-N 2 1 322.409 -1.355 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355806 781777190 /nfs/dbraw/zinc/77/71/90/781777190.db2.gz NOKSFHCVWAFQBT-CQSZACIVSA-N 2 1 322.409 -1.351 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317082931 916263025 /nfs/dbraw/zinc/26/30/25/916263025.db2.gz VVAVGSIYHBOKPA-IHRRRGAJSA-N 2 1 317.393 -1.039 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317082931 916263037 /nfs/dbraw/zinc/26/30/37/916263037.db2.gz VVAVGSIYHBOKPA-IHRRRGAJSA-N 2 1 317.393 -1.039 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001317276571 916282608 /nfs/dbraw/zinc/28/26/08/916282608.db2.gz MPOVBBDYKMDBAZ-KGLIPLIRSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(N)=O ZINC001318537885 916399273 /nfs/dbraw/zinc/39/92/73/916399273.db2.gz NNGBAGAPSISGOC-NEPJUHHUSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(N)=O ZINC001318537885 916399296 /nfs/dbraw/zinc/39/92/96/916399296.db2.gz NNGBAGAPSISGOC-NEPJUHHUSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001318512106 916401332 /nfs/dbraw/zinc/40/13/32/916401332.db2.gz NGVXPATYFMIIJC-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001318512106 916401334 /nfs/dbraw/zinc/40/13/34/916401334.db2.gz NGVXPATYFMIIJC-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP NC(=O)[C@@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@](O)(C(N)=O)C2)C1 ZINC001327836883 917045396 /nfs/dbraw/zinc/04/53/96/917045396.db2.gz ZBEFKTDNWRZXOL-ZIAGYGMSSA-N 2 1 310.354 -3.166 20 30 DAEDMP NC(=O)[C@@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@](O)(C(N)=O)C2)C1 ZINC001327836883 917045409 /nfs/dbraw/zinc/04/54/09/917045409.db2.gz ZBEFKTDNWRZXOL-ZIAGYGMSSA-N 2 1 310.354 -3.166 20 30 DAEDMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787379 917337439 /nfs/dbraw/zinc/33/74/39/917337439.db2.gz IBCXMHCAOZKNSD-RYUDHWBXSA-N 2 1 311.386 -1.965 20 30 DAEDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787379 917337450 /nfs/dbraw/zinc/33/74/50/917337450.db2.gz IBCXMHCAOZKNSD-RYUDHWBXSA-N 2 1 311.386 -1.965 20 30 DAEDMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787375 917339314 /nfs/dbraw/zinc/33/93/14/917339314.db2.gz IBCXMHCAOZKNSD-NEPJUHHUSA-N 2 1 311.386 -1.965 20 30 DAEDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787375 917339329 /nfs/dbraw/zinc/33/93/29/917339329.db2.gz IBCXMHCAOZKNSD-NEPJUHHUSA-N 2 1 311.386 -1.965 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)[C@@H](CO)C2)C[C@H]1CO ZINC001334396495 917486567 /nfs/dbraw/zinc/48/65/67/917486567.db2.gz IPQXQZPFAUOGMS-IYBDPMFKSA-N 2 1 310.442 -1.794 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)[C@H](CO)C2)C[C@@H]1CO ZINC001334396495 917486572 /nfs/dbraw/zinc/48/65/72/917486572.db2.gz IPQXQZPFAUOGMS-IYBDPMFKSA-N 2 1 310.442 -1.794 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@@H+](C)[C@H](CO)C2)C[C@@H]1CO ZINC001334396495 917486581 /nfs/dbraw/zinc/48/65/81/917486581.db2.gz IPQXQZPFAUOGMS-IYBDPMFKSA-N 2 1 310.442 -1.794 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)[C@@H](CO)C2)C[C@@H]1CO ZINC001334396493 917486667 /nfs/dbraw/zinc/48/66/67/917486667.db2.gz IPQXQZPFAUOGMS-HZPDHXFCSA-N 2 1 310.442 -1.794 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)C[C@H]2CO)[C@H](CO)C1 ZINC001352913218 918133990 /nfs/dbraw/zinc/13/39/90/918133990.db2.gz QXNNCFQTKVZOFE-HOTGVXAUSA-N 2 1 310.442 -1.794 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639846536 373288123 /nfs/dbraw/zinc/28/81/23/373288123.db2.gz BCDMTLPHXVXFCX-CAOSSQGBSA-N 2 1 312.410 -1.375 20 30 DAEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000491781237 373437779 /nfs/dbraw/zinc/43/77/79/373437779.db2.gz NMXWAXGIAJLVKN-OLZOCXBDSA-N 2 1 307.398 -1.105 20 30 DAEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488018 782006324 /nfs/dbraw/zinc/00/63/24/782006324.db2.gz KPIMSOOTINCXLN-AWEZNQCLSA-N 2 1 324.425 -1.153 20 30 DAEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488018 782006318 /nfs/dbraw/zinc/00/63/18/782006318.db2.gz KPIMSOOTINCXLN-AWEZNQCLSA-N 2 1 324.425 -1.153 20 30 DAEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488019 782007623 /nfs/dbraw/zinc/00/76/23/782007623.db2.gz KPIMSOOTINCXLN-CQSZACIVSA-N 2 1 324.425 -1.153 20 30 DAEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488019 782007628 /nfs/dbraw/zinc/00/76/28/782007628.db2.gz KPIMSOOTINCXLN-CQSZACIVSA-N 2 1 324.425 -1.153 20 30 DAEDMP N#Cc1ncn(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000849027301 663892989 /nfs/dbraw/zinc/89/29/89/663892989.db2.gz PEMQCSXGCDAUAR-UHFFFAOYSA-N 2 1 306.374 -1.014 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001280680985 782278951 /nfs/dbraw/zinc/27/89/51/782278951.db2.gz JADWAGMFPKULGN-CQSZACIVSA-N 2 1 324.425 -1.107 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001274835311 782295575 /nfs/dbraw/zinc/29/55/75/782295575.db2.gz ITHREUDLODHADJ-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001274835311 782295581 /nfs/dbraw/zinc/29/55/81/782295581.db2.gz ITHREUDLODHADJ-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001275030356 782301386 /nfs/dbraw/zinc/30/13/86/782301386.db2.gz SGQZQLRNAHPCOY-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001275030356 782301392 /nfs/dbraw/zinc/30/13/92/782301392.db2.gz SGQZQLRNAHPCOY-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100211824 782564745 /nfs/dbraw/zinc/56/47/45/782564745.db2.gz BTCQPKOFAZUAHW-WXRRBKDZSA-N 2 1 323.397 -1.559 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100211824 782564753 /nfs/dbraw/zinc/56/47/53/782564753.db2.gz BTCQPKOFAZUAHW-WXRRBKDZSA-N 2 1 323.397 -1.559 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115120929 782642897 /nfs/dbraw/zinc/64/28/97/782642897.db2.gz ICZGHHHSVHONDY-NHAGDIPZSA-N 2 1 316.405 -1.122 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115120929 782642901 /nfs/dbraw/zinc/64/29/01/782642901.db2.gz ICZGHHHSVHONDY-NHAGDIPZSA-N 2 1 316.405 -1.122 20 30 DAEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266584523 775158421 /nfs/dbraw/zinc/15/84/21/775158421.db2.gz GZODTKOHKGAMTL-JHJVBQTASA-N 2 1 310.398 -1.144 20 30 DAEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266584523 775158426 /nfs/dbraw/zinc/15/84/26/775158426.db2.gz GZODTKOHKGAMTL-JHJVBQTASA-N 2 1 310.398 -1.144 20 30 DAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001267025098 775195927 /nfs/dbraw/zinc/19/59/27/775195927.db2.gz IRNSCZTZAZWYSG-QWHCGFSZSA-N 2 1 323.397 -1.463 20 30 DAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001267025098 775195931 /nfs/dbraw/zinc/19/59/31/775195931.db2.gz IRNSCZTZAZWYSG-QWHCGFSZSA-N 2 1 323.397 -1.463 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267124580 775206608 /nfs/dbraw/zinc/20/66/08/775206608.db2.gz BJIQBIUIVFIJFO-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267124580 775206613 /nfs/dbraw/zinc/20/66/13/775206613.db2.gz BJIQBIUIVFIJFO-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001267386537 775235426 /nfs/dbraw/zinc/23/54/26/775235426.db2.gz LINAHHLQPPSMKQ-NEPJUHHUSA-N 2 1 323.397 -1.285 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001267386537 775235432 /nfs/dbraw/zinc/23/54/32/775235432.db2.gz LINAHHLQPPSMKQ-NEPJUHHUSA-N 2 1 323.397 -1.285 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268014195 775314576 /nfs/dbraw/zinc/31/45/76/775314576.db2.gz MXOIFAPCUJHUIC-ZIAGYGMSSA-N 2 1 324.425 -1.202 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268014195 775314586 /nfs/dbraw/zinc/31/45/86/775314586.db2.gz MXOIFAPCUJHUIC-ZIAGYGMSSA-N 2 1 324.425 -1.202 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001268068155 775342302 /nfs/dbraw/zinc/34/23/02/775342302.db2.gz JZIPXWNZAVSENQ-RYUDHWBXSA-N 2 1 323.397 -1.285 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001268068155 775342309 /nfs/dbraw/zinc/34/23/09/775342309.db2.gz JZIPXWNZAVSENQ-RYUDHWBXSA-N 2 1 323.397 -1.285 20 30 DAEDMP COCC#CC[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001268325797 775372969 /nfs/dbraw/zinc/37/29/69/775372969.db2.gz AUNJBPRDLRJURN-CQSZACIVSA-N 2 1 313.398 -1.575 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268353924 775378422 /nfs/dbraw/zinc/37/84/22/775378422.db2.gz IKEGTUALRNSCKD-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268353924 775378434 /nfs/dbraw/zinc/37/84/34/775378434.db2.gz IKEGTUALRNSCKD-CHWSQXEVSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H](C)C(=O)NC ZINC001272182648 775644447 /nfs/dbraw/zinc/64/44/47/775644447.db2.gz QSPFTCXIMXIPEK-KGLIPLIRSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H](C)C(=O)NC ZINC001272182648 775644451 /nfs/dbraw/zinc/64/44/51/775644451.db2.gz QSPFTCXIMXIPEK-KGLIPLIRSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272413764 775757943 /nfs/dbraw/zinc/75/79/43/775757943.db2.gz IQIRZXPPDDJXAI-FRRDWIJNSA-N 2 1 310.398 -1.857 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780198 775863455 /nfs/dbraw/zinc/86/34/55/775863455.db2.gz WSTDXRSYMVHHLE-QWHCGFSZSA-N 2 1 308.382 -1.695 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780440 775864317 /nfs/dbraw/zinc/86/43/17/775864317.db2.gz YYJJHESEVPPYQU-OLZOCXBDSA-N 2 1 310.398 -1.142 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001272837730 775916298 /nfs/dbraw/zinc/91/62/98/775916298.db2.gz LOAVJDKVOGKWIO-NEPJUHHUSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001272837730 775916309 /nfs/dbraw/zinc/91/63/09/775916309.db2.gz LOAVJDKVOGKWIO-NEPJUHHUSA-N 2 1 323.397 -1.237 20 30 DAEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273235750 776192731 /nfs/dbraw/zinc/19/27/31/776192731.db2.gz BWVUSQCGUFWJIF-OLZOCXBDSA-N 2 1 323.397 -1.463 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129380152 776324608 /nfs/dbraw/zinc/32/46/08/776324608.db2.gz FARKFWDVAPGSRD-ZDUSSCGKSA-N 2 1 322.413 -1.179 20 30 DAEDMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129380340 776324958 /nfs/dbraw/zinc/32/49/58/776324958.db2.gz HEGPFGHEYGBZDU-GFCCVEGCSA-N 2 1 321.385 -1.841 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001129790564 776480156 /nfs/dbraw/zinc/48/01/56/776480156.db2.gz AYZDEOOCEXVDIJ-RYUDHWBXSA-N 2 1 323.397 -1.366 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001129790564 776480161 /nfs/dbraw/zinc/48/01/61/776480161.db2.gz AYZDEOOCEXVDIJ-RYUDHWBXSA-N 2 1 323.397 -1.366 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001129771209 776480371 /nfs/dbraw/zinc/48/03/71/776480371.db2.gz UBBHDYNLTOGZSI-LBPRGKRZSA-N 2 1 323.397 -1.365 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001129771209 776480374 /nfs/dbraw/zinc/48/03/74/776480374.db2.gz UBBHDYNLTOGZSI-LBPRGKRZSA-N 2 1 323.397 -1.365 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001129770374 776480774 /nfs/dbraw/zinc/48/07/74/776480774.db2.gz FFAKKDWRXPBBAL-NSHDSACASA-N 2 1 309.370 -1.755 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001129770374 776480777 /nfs/dbraw/zinc/48/07/77/776480777.db2.gz FFAKKDWRXPBBAL-NSHDSACASA-N 2 1 309.370 -1.755 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184723 776497364 /nfs/dbraw/zinc/49/73/64/776497364.db2.gz YBMQOCFUARTJTO-FRRDWIJNSA-N 2 1 310.398 -1.451 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184723 776497368 /nfs/dbraw/zinc/49/73/68/776497368.db2.gz YBMQOCFUARTJTO-FRRDWIJNSA-N 2 1 310.398 -1.451 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131526083 776574404 /nfs/dbraw/zinc/57/44/04/776574404.db2.gz XYBMSMTUPIKSCE-UYJPIKCFSA-N 2 1 322.409 -1.142 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135322977 776749068 /nfs/dbraw/zinc/74/90/68/776749068.db2.gz IRZQGLFNYCDNTQ-UHFFFAOYSA-N 2 1 324.425 -1.056 20 30 DAEDMP N#C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC001246098652 776787955 /nfs/dbraw/zinc/78/79/55/776787955.db2.gz CJUSELKZJNBTMW-RYUDHWBXSA-N 2 1 301.416 -1.545 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487067 779777183 /nfs/dbraw/zinc/77/71/83/779777183.db2.gz WADNUGUHDKEAON-CHWSQXEVSA-N 2 1 323.397 -1.415 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487069 779777211 /nfs/dbraw/zinc/77/72/11/779777211.db2.gz WADNUGUHDKEAON-QWHCGFSZSA-N 2 1 323.397 -1.415 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001160197704 779802902 /nfs/dbraw/zinc/80/29/02/779802902.db2.gz DELBZJMMYNSDOD-AWEZNQCLSA-N 2 1 304.394 -1.071 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001160197704 779802909 /nfs/dbraw/zinc/80/29/09/779802909.db2.gz DELBZJMMYNSDOD-AWEZNQCLSA-N 2 1 304.394 -1.071 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001160209348 779803267 /nfs/dbraw/zinc/80/32/67/779803267.db2.gz ISPLMTYPIZSXJJ-RYUDHWBXSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001160209348 779803276 /nfs/dbraw/zinc/80/32/76/779803276.db2.gz ISPLMTYPIZSXJJ-RYUDHWBXSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001160209347 779803522 /nfs/dbraw/zinc/80/35/22/779803522.db2.gz ISPLMTYPIZSXJJ-NEPJUHHUSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001160209347 779803529 /nfs/dbraw/zinc/80/35/29/779803529.db2.gz ISPLMTYPIZSXJJ-NEPJUHHUSA-N 2 1 323.397 -1.237 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857951 779821001 /nfs/dbraw/zinc/82/10/01/779821001.db2.gz UASRZZXDNCUSQA-MGPQQGTHSA-N 2 1 324.425 -1.061 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857951 779821006 /nfs/dbraw/zinc/82/10/06/779821006.db2.gz UASRZZXDNCUSQA-MGPQQGTHSA-N 2 1 324.425 -1.061 20 30 DAEDMP N#Cc1c2c(cnc1N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)C[NH2+]CCC2 ZINC001162437524 779854079 /nfs/dbraw/zinc/85/40/79/779854079.db2.gz UMTDAKHXMGSGTG-KCQAQPDRSA-N 2 1 314.397 -1.514 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737658 779924480 /nfs/dbraw/zinc/92/44/80/779924480.db2.gz JBSZKQHJPMANBE-CHWSQXEVSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737658 779924484 /nfs/dbraw/zinc/92/44/84/779924484.db2.gz JBSZKQHJPMANBE-CHWSQXEVSA-N 2 1 323.397 -1.463 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735178 779925178 /nfs/dbraw/zinc/92/51/78/779925178.db2.gz XUAVOADIOKYDSF-ZIAGYGMSSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735178 779925181 /nfs/dbraw/zinc/92/51/81/779925181.db2.gz XUAVOADIOKYDSF-ZIAGYGMSSA-N 2 1 322.409 -1.353 20 30 DAEDMP C=C[C@@H]1C[C@]1([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676235 780132002 /nfs/dbraw/zinc/13/20/02/780132002.db2.gz CETITFLUTLCGBY-ZYHUDNBSSA-N 2 1 302.400 -1.759 20 30 DAEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220868253 780255345 /nfs/dbraw/zinc/25/53/45/780255345.db2.gz FOSRCARPDWKZBD-LBPRGKRZSA-N 2 1 318.443 -1.027 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278085801 780426889 /nfs/dbraw/zinc/42/68/89/780426889.db2.gz RUYPAUUVCOYUMN-HZSPNIEDSA-N 2 1 324.425 -1.467 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)C1 ZINC001280473296 780634823 /nfs/dbraw/zinc/63/48/23/780634823.db2.gz NIRSBENQABHWAZ-GFCCVEGCSA-N 2 1 323.397 -1.415 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)C1 ZINC001280473296 780634825 /nfs/dbraw/zinc/63/48/25/780634825.db2.gz NIRSBENQABHWAZ-GFCCVEGCSA-N 2 1 323.397 -1.415 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)C1 ZINC001280473297 780634858 /nfs/dbraw/zinc/63/48/58/780634858.db2.gz NIRSBENQABHWAZ-LBPRGKRZSA-N 2 1 323.397 -1.415 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)C1 ZINC001280473297 780634861 /nfs/dbraw/zinc/63/48/61/780634861.db2.gz NIRSBENQABHWAZ-LBPRGKRZSA-N 2 1 323.397 -1.415 20 30 DAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187982341 781811473 /nfs/dbraw/zinc/81/14/73/781811473.db2.gz IRNSCZTZAZWYSG-OLZOCXBDSA-N 2 1 323.397 -1.463 20 30 DAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187982341 781811483 /nfs/dbraw/zinc/81/14/83/781811483.db2.gz IRNSCZTZAZWYSG-OLZOCXBDSA-N 2 1 323.397 -1.463 20 30 DAEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118183 781846375 /nfs/dbraw/zinc/84/63/75/781846375.db2.gz ANGQFDVAEULFTM-VIKVFOODSA-N 2 1 324.425 -1.087 20 30 DAEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118183 781846384 /nfs/dbraw/zinc/84/63/84/781846384.db2.gz ANGQFDVAEULFTM-VIKVFOODSA-N 2 1 324.425 -1.087 20 30 DAEDMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115119504 781849849 /nfs/dbraw/zinc/84/98/49/781849849.db2.gz ZCPKKWNZGDHAMO-JYAVWHMHSA-N 2 1 323.397 -1.749 20 30 DAEDMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115119504 781849857 /nfs/dbraw/zinc/84/98/57/781849857.db2.gz ZCPKKWNZGDHAMO-JYAVWHMHSA-N 2 1 323.397 -1.749 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001318512104 916401380 /nfs/dbraw/zinc/40/13/80/916401380.db2.gz NGVXPATYFMIIJC-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001318512104 916401387 /nfs/dbraw/zinc/40/13/87/916401387.db2.gz NGVXPATYFMIIJC-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001323411677 916720129 /nfs/dbraw/zinc/72/01/29/916720129.db2.gz MDPCEDCSONTPSB-LBPRGKRZSA-N 2 1 310.398 -1.142 20 30 DAEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001323411677 916720136 /nfs/dbraw/zinc/72/01/36/916720136.db2.gz MDPCEDCSONTPSB-LBPRGKRZSA-N 2 1 310.398 -1.142 20 30 DAEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069648 916806237 /nfs/dbraw/zinc/80/62/37/916806237.db2.gz HLKRTDCDXUULNG-DOMZBBRYSA-N 2 1 323.397 -1.727 20 30 DAEDMP CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069648 916806252 /nfs/dbraw/zinc/80/62/52/916806252.db2.gz HLKRTDCDXUULNG-DOMZBBRYSA-N 2 1 323.397 -1.727 20 30 DAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325154140 916827118 /nfs/dbraw/zinc/82/71/18/916827118.db2.gz QJFZOCKVYPLWEY-BBRMVZONSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325154140 916827133 /nfs/dbraw/zinc/82/71/33/916827133.db2.gz QJFZOCKVYPLWEY-BBRMVZONSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001330778764 917265509 /nfs/dbraw/zinc/26/55/09/917265509.db2.gz FFXBZANENBHLBM-ZIAGYGMSSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001330778764 917265524 /nfs/dbraw/zinc/26/55/24/917265524.db2.gz FFXBZANENBHLBM-ZIAGYGMSSA-N 2 1 324.425 -1.059 20 30 DAEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835752 917346421 /nfs/dbraw/zinc/34/64/21/917346421.db2.gz NXERWSABGXSAJR-KBPBESRZSA-N 2 1 313.398 -1.576 20 30 DAEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835752 917346432 /nfs/dbraw/zinc/34/64/32/917346432.db2.gz NXERWSABGXSAJR-KBPBESRZSA-N 2 1 313.398 -1.576 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC ZINC001332521293 917382069 /nfs/dbraw/zinc/38/20/69/917382069.db2.gz GHNQDCJEZOZDLI-KGLIPLIRSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC ZINC001332521293 917382079 /nfs/dbraw/zinc/38/20/79/917382079.db2.gz GHNQDCJEZOZDLI-KGLIPLIRSA-N 2 1 324.425 -1.371 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)[C@H](CO)C2)C[C@H]1CO ZINC001334396486 917486988 /nfs/dbraw/zinc/48/69/88/917486988.db2.gz IPQXQZPFAUOGMS-HOTGVXAUSA-N 2 1 310.442 -1.794 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001357449907 918292558 /nfs/dbraw/zinc/29/25/58/918292558.db2.gz LEOMDHSLFCZYPX-KGLIPLIRSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001357449907 918292571 /nfs/dbraw/zinc/29/25/71/918292571.db2.gz LEOMDHSLFCZYPX-KGLIPLIRSA-N 2 1 324.425 -1.371 20 30 DAEDMP OC[C@@]1(O)CCCN(CC#CC[N@H+]2CCC[C@](O)(CO)C2)C1 ZINC000625464912 372821186 /nfs/dbraw/zinc/82/11/86/372821186.db2.gz IUMOBHPBNNIGAZ-HZPDHXFCSA-N 2 1 312.410 -1.372 20 30 DAEDMP OC[C@@]1(O)CCC[NH+](CC#CC[N@H+]2CCC[C@](O)(CO)C2)C1 ZINC000625464912 372821194 /nfs/dbraw/zinc/82/11/94/372821194.db2.gz IUMOBHPBNNIGAZ-HZPDHXFCSA-N 2 1 312.410 -1.372 20 30 DAEDMP OC[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@](O)(CO)C2)C1 ZINC000625464912 372821201 /nfs/dbraw/zinc/82/12/01/372821201.db2.gz IUMOBHPBNNIGAZ-HZPDHXFCSA-N 2 1 312.410 -1.372 20 30 DAEDMP OC[C@H]1CC[C@@H](CO)[N@H+]1CC#CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347294463 373263090 /nfs/dbraw/zinc/26/30/90/373263090.db2.gz DFRHSZLSHBCECK-YHUYYLMFSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639846539 373289401 /nfs/dbraw/zinc/28/94/01/373289401.db2.gz BCDMTLPHXVXFCX-YHUYYLMFSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[N@H+]1CC#CC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639846539 373289411 /nfs/dbraw/zinc/28/94/11/373289411.db2.gz BCDMTLPHXVXFCX-YHUYYLMFSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC#CC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639846539 373289423 /nfs/dbraw/zinc/28/94/23/373289423.db2.gz BCDMTLPHXVXFCX-YHUYYLMFSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639846537 373289780 /nfs/dbraw/zinc/28/97/80/373289780.db2.gz BCDMTLPHXVXFCX-QKPAOTATSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@@H](O)C[NH+]1CC#CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639846537 373289784 /nfs/dbraw/zinc/28/97/84/373289784.db2.gz BCDMTLPHXVXFCX-QKPAOTATSA-N 2 1 312.410 -1.375 20 30 DAEDMP C[C@]1(CO)C[C@@H](O)C[NH+]1CC#CC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639846537 373289792 /nfs/dbraw/zinc/28/97/92/373289792.db2.gz BCDMTLPHXVXFCX-QKPAOTATSA-N 2 1 312.410 -1.375 20 30 DAEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000566063883 373525501 /nfs/dbraw/zinc/52/55/01/373525501.db2.gz OTJGYUBSDPVIOI-AWEZNQCLSA-N 2 1 311.430 -1.054 20 30 DAEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1ccn[nH]1 ZINC000272387050 334034142 /nfs/dbraw/zinc/03/41/42/334034142.db2.gz KNNDPOYQHRCNJG-UHFFFAOYSA-N 2 1 323.401 -1.234 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001199944079 782189130 /nfs/dbraw/zinc/18/91/30/782189130.db2.gz ULPUHFOKABCCHP-CYBMUJFWSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001199944079 782189136 /nfs/dbraw/zinc/18/91/36/782189136.db2.gz ULPUHFOKABCCHP-CYBMUJFWSA-N 2 1 323.397 -1.463 20 30 DAEDMP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCC(O)CC1 ZINC000849037915 663892936 /nfs/dbraw/zinc/89/29/36/663892936.db2.gz HBMBDGJYZAMEFD-UHFFFAOYSA-N 2 1 313.446 -1.060 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958723716 664288982 /nfs/dbraw/zinc/28/89/82/664288982.db2.gz JBAUXPZSXMBHOT-KGLIPLIRSA-N 2 1 322.409 -1.774 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958723716 664288985 /nfs/dbraw/zinc/28/89/85/664288985.db2.gz JBAUXPZSXMBHOT-KGLIPLIRSA-N 2 1 322.409 -1.774 20 30 DAEDMP C#CCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654629 677817857 /nfs/dbraw/zinc/81/78/57/677817857.db2.gz XTODWKZZOVAARU-NHGZVPIDSA-N 2 1 305.378 -1.356 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241302 782245088 /nfs/dbraw/zinc/24/50/88/782245088.db2.gz FUVOXFBRCFNHQC-CXTNEJHOSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241302 782245101 /nfs/dbraw/zinc/24/51/01/782245101.db2.gz FUVOXFBRCFNHQC-CXTNEJHOSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241302 782245105 /nfs/dbraw/zinc/24/51/05/782245105.db2.gz FUVOXFBRCFNHQC-CXTNEJHOSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241302 782245109 /nfs/dbraw/zinc/24/51/09/782245109.db2.gz FUVOXFBRCFNHQC-CXTNEJHOSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241304 782245450 /nfs/dbraw/zinc/24/54/50/782245450.db2.gz FUVOXFBRCFNHQC-RMRHIDDWSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241304 782245464 /nfs/dbraw/zinc/24/54/64/782245464.db2.gz FUVOXFBRCFNHQC-RMRHIDDWSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241304 782245475 /nfs/dbraw/zinc/24/54/75/782245475.db2.gz FUVOXFBRCFNHQC-RMRHIDDWSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241304 782245483 /nfs/dbraw/zinc/24/54/83/782245483.db2.gz FUVOXFBRCFNHQC-RMRHIDDWSA-N 2 1 304.394 -1.266 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001274835310 782295524 /nfs/dbraw/zinc/29/55/24/782295524.db2.gz ITHREUDLODHADJ-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001274835310 782295529 /nfs/dbraw/zinc/29/55/29/782295529.db2.gz ITHREUDLODHADJ-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001275184657 782304148 /nfs/dbraw/zinc/30/41/48/782304148.db2.gz FRONGBYPBHPQBF-KBPBESRZSA-N 2 1 304.394 -1.072 20 30 DAEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241577 782648033 /nfs/dbraw/zinc/64/80/33/782648033.db2.gz KVKCUPYCEBEODO-NMKXLXIOSA-N 2 1 305.382 -1.376 20 30 DAEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241577 782648038 /nfs/dbraw/zinc/64/80/38/782648038.db2.gz KVKCUPYCEBEODO-NMKXLXIOSA-N 2 1 305.382 -1.376 20 30 DAEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241577 782648041 /nfs/dbraw/zinc/64/80/41/782648041.db2.gz KVKCUPYCEBEODO-NMKXLXIOSA-N 2 1 305.382 -1.376 20 30 DAEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241577 782648047 /nfs/dbraw/zinc/64/80/47/782648047.db2.gz KVKCUPYCEBEODO-NMKXLXIOSA-N 2 1 305.382 -1.376 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266676363 775168816 /nfs/dbraw/zinc/16/88/16/775168816.db2.gz HYZHBFKLVMXUBH-TUAOUCFPSA-N 2 1 309.370 -1.806 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001266676363 775168818 /nfs/dbraw/zinc/16/88/18/775168818.db2.gz HYZHBFKLVMXUBH-TUAOUCFPSA-N 2 1 309.370 -1.806 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267831563 775284462 /nfs/dbraw/zinc/28/44/62/775284462.db2.gz RVUMGAPQSMAZTK-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267831563 775284469 /nfs/dbraw/zinc/28/44/69/775284469.db2.gz RVUMGAPQSMAZTK-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168442404 775762863 /nfs/dbraw/zinc/76/28/63/775762863.db2.gz QRLDHNHOOPMWBX-AWEZNQCLSA-N 2 1 324.425 -1.058 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168442405 775763749 /nfs/dbraw/zinc/76/37/49/775763749.db2.gz QRLDHNHOOPMWBX-CQSZACIVSA-N 2 1 324.425 -1.058 20 30 DAEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125221636 775842622 /nfs/dbraw/zinc/84/26/22/775842622.db2.gz RAGVZPFXQZQEDN-OLZOCXBDSA-N 2 1 310.398 -1.190 20 30 DAEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125221636 775842634 /nfs/dbraw/zinc/84/26/34/775842634.db2.gz RAGVZPFXQZQEDN-OLZOCXBDSA-N 2 1 310.398 -1.190 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779108 775863783 /nfs/dbraw/zinc/86/37/83/775863783.db2.gz JGJQTRROAQRBBG-NEPJUHHUSA-N 2 1 309.370 -1.805 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779111 775864983 /nfs/dbraw/zinc/86/49/83/775864983.db2.gz JGJQTRROAQRBBG-NWDGAFQWSA-N 2 1 309.370 -1.805 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001084088184 776167858 /nfs/dbraw/zinc/16/78/58/776167858.db2.gz VILKPMFHMKHFIK-CABCVRRESA-N 2 1 309.410 -1.125 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114040890 776444209 /nfs/dbraw/zinc/44/42/09/776444209.db2.gz DGYYTRVRMDHJMN-SFDCQRBFSA-N 2 1 304.394 -1.124 20 30 DAEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114040890 776444217 /nfs/dbraw/zinc/44/42/17/776444217.db2.gz DGYYTRVRMDHJMN-SFDCQRBFSA-N 2 1 304.394 -1.124 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114040890 776444222 /nfs/dbraw/zinc/44/42/22/776444222.db2.gz DGYYTRVRMDHJMN-SFDCQRBFSA-N 2 1 304.394 -1.124 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114040890 776444230 /nfs/dbraw/zinc/44/42/30/776444230.db2.gz DGYYTRVRMDHJMN-SFDCQRBFSA-N 2 1 304.394 -1.124 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001129770622 776479725 /nfs/dbraw/zinc/47/97/25/776479725.db2.gz JWMVQKHYGIFCNA-NEPJUHHUSA-N 2 1 306.366 -1.405 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001129770622 776479730 /nfs/dbraw/zinc/47/97/30/776479730.db2.gz JWMVQKHYGIFCNA-NEPJUHHUSA-N 2 1 306.366 -1.405 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001129790554 776480678 /nfs/dbraw/zinc/48/06/78/776480678.db2.gz AOLKDGWRKOBURI-KBPBESRZSA-N 2 1 304.394 -1.072 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001129790554 776480679 /nfs/dbraw/zinc/48/06/79/776480679.db2.gz AOLKDGWRKOBURI-KBPBESRZSA-N 2 1 304.394 -1.072 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001129790546 776480717 /nfs/dbraw/zinc/48/07/17/776480717.db2.gz AANJBEKOHSZXGF-ZDUSSCGKSA-N 2 1 320.393 -1.061 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001129790546 776480719 /nfs/dbraw/zinc/48/07/19/776480719.db2.gz AANJBEKOHSZXGF-ZDUSSCGKSA-N 2 1 320.393 -1.061 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCOCC ZINC001129775755 776481243 /nfs/dbraw/zinc/48/12/43/776481243.db2.gz SUSLCQALJCECEW-AWEZNQCLSA-N 2 1 324.425 -1.058 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCOCC ZINC001129775755 776481248 /nfs/dbraw/zinc/48/12/48/776481248.db2.gz SUSLCQALJCECEW-AWEZNQCLSA-N 2 1 324.425 -1.058 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184724 776497128 /nfs/dbraw/zinc/49/71/28/776497128.db2.gz YBMQOCFUARTJTO-JHJVBQTASA-N 2 1 310.398 -1.451 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184724 776497129 /nfs/dbraw/zinc/49/71/29/776497129.db2.gz YBMQOCFUARTJTO-JHJVBQTASA-N 2 1 310.398 -1.451 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520075 776573455 /nfs/dbraw/zinc/57/34/55/776573455.db2.gz SXLAISGFSOAIJU-UYJPIKCFSA-N 2 1 320.393 -1.695 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520037 776573793 /nfs/dbraw/zinc/57/37/93/776573793.db2.gz RSWHLFLEFJFQFW-MQYJIDSJSA-N 2 1 321.381 -1.805 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520074 776574807 /nfs/dbraw/zinc/57/48/07/776574807.db2.gz SXLAISGFSOAIJU-MFOWVQHXSA-N 2 1 320.393 -1.695 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852778 776643593 /nfs/dbraw/zinc/64/35/93/776643593.db2.gz UIXKUKXCWLDTJO-UONOGXRCSA-N 2 1 324.425 -1.061 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212350 776759909 /nfs/dbraw/zinc/75/99/09/776759909.db2.gz YMXYRQISNWINJY-JXQTWKCFSA-N 2 1 322.409 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212350 776759915 /nfs/dbraw/zinc/75/99/15/776759915.db2.gz YMXYRQISNWINJY-JXQTWKCFSA-N 2 1 322.409 -1.449 20 30 DAEDMP N#C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC001246098648 776787883 /nfs/dbraw/zinc/78/78/83/776787883.db2.gz CJUSELKZJNBTMW-NEPJUHHUSA-N 2 1 301.416 -1.545 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151739879 779683300 /nfs/dbraw/zinc/68/33/00/779683300.db2.gz OLKVEJGHGNXVIS-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151739879 779683305 /nfs/dbraw/zinc/68/33/05/779683305.db2.gz OLKVEJGHGNXVIS-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125058 779738700 /nfs/dbraw/zinc/73/87/00/779738700.db2.gz GLYRPOUUIZORQM-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125058 779738701 /nfs/dbraw/zinc/73/87/01/779738701.db2.gz GLYRPOUUIZORQM-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125059 779738716 /nfs/dbraw/zinc/73/87/16/779738716.db2.gz GLYRPOUUIZORQM-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125059 779738718 /nfs/dbraw/zinc/73/87/18/779738718.db2.gz GLYRPOUUIZORQM-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487068 779776753 /nfs/dbraw/zinc/77/67/53/779776753.db2.gz WADNUGUHDKEAON-OLZOCXBDSA-N 2 1 323.397 -1.415 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160198294 779803672 /nfs/dbraw/zinc/80/36/72/779803672.db2.gz ZKDZNXRUIMHGBJ-ZDUSSCGKSA-N 2 1 305.382 -1.180 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160198294 779803677 /nfs/dbraw/zinc/80/36/77/779803677.db2.gz ZKDZNXRUIMHGBJ-ZDUSSCGKSA-N 2 1 305.382 -1.180 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001160197762 779804115 /nfs/dbraw/zinc/80/41/15/779804115.db2.gz FPNYUXRXROHGOV-OLZOCXBDSA-N 2 1 320.393 -1.015 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001160197762 779804125 /nfs/dbraw/zinc/80/41/25/779804125.db2.gz FPNYUXRXROHGOV-OLZOCXBDSA-N 2 1 320.393 -1.015 20 30 DAEDMP N#Cc1c2c(cnc1N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)C[NH2+]CCC2 ZINC001162437523 779854138 /nfs/dbraw/zinc/85/41/38/779854138.db2.gz UMTDAKHXMGSGTG-IPYPFGDCSA-N 2 1 314.397 -1.514 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735177 779925199 /nfs/dbraw/zinc/92/51/99/779925199.db2.gz XUAVOADIOKYDSF-UONOGXRCSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735177 779925202 /nfs/dbraw/zinc/92/52/02/779925202.db2.gz XUAVOADIOKYDSF-UONOGXRCSA-N 2 1 322.409 -1.353 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737663 779926309 /nfs/dbraw/zinc/92/63/09/779926309.db2.gz JBSZKQHJPMANBE-STQMWFEESA-N 2 1 323.397 -1.463 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001207737663 779926314 /nfs/dbraw/zinc/92/63/14/779926314.db2.gz JBSZKQHJPMANBE-STQMWFEESA-N 2 1 323.397 -1.463 20 30 DAEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214388983 779993633 /nfs/dbraw/zinc/99/36/33/779993633.db2.gz OQMDDPZOZDGSRJ-JHJVBQTASA-N 2 1 323.397 -1.607 20 30 DAEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214388983 779993639 /nfs/dbraw/zinc/99/36/39/779993639.db2.gz OQMDDPZOZDGSRJ-JHJVBQTASA-N 2 1 323.397 -1.607 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278792212 780489276 /nfs/dbraw/zinc/48/92/76/780489276.db2.gz SEZHJRVSFJLNRC-QWHCGFSZSA-N 2 1 310.398 -1.761 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001278826609 780494168 /nfs/dbraw/zinc/49/41/68/780494168.db2.gz ARLCZBHCTYSDPS-INIZCTEOSA-N 2 1 322.409 -1.630 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001278826609 780494174 /nfs/dbraw/zinc/49/41/74/780494174.db2.gz ARLCZBHCTYSDPS-INIZCTEOSA-N 2 1 322.409 -1.630 20 30 DAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278883008 780501676 /nfs/dbraw/zinc/50/16/76/780501676.db2.gz QRENHZKQLYLZHX-AWEZNQCLSA-N 2 1 324.425 -1.417 20 30 DAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278883008 780501678 /nfs/dbraw/zinc/50/16/78/780501678.db2.gz QRENHZKQLYLZHX-AWEZNQCLSA-N 2 1 324.425 -1.417 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001281137348 780668129 /nfs/dbraw/zinc/66/81/29/780668129.db2.gz KTHNKXIUFKOEDN-BBRMVZONSA-N 2 1 322.409 -1.488 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001281137348 780668135 /nfs/dbraw/zinc/66/81/35/780668135.db2.gz KTHNKXIUFKOEDN-BBRMVZONSA-N 2 1 322.409 -1.488 20 30 DAEDMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001281703889 780690453 /nfs/dbraw/zinc/69/04/53/780690453.db2.gz XKDAVCSIRNXUER-RYUDHWBXSA-N 2 1 311.386 -1.559 20 30 DAEDMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001281703889 780690459 /nfs/dbraw/zinc/69/04/59/780690459.db2.gz XKDAVCSIRNXUER-RYUDHWBXSA-N 2 1 311.386 -1.559 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001283832829 780783778 /nfs/dbraw/zinc/78/37/78/780783778.db2.gz XTDSFMSITGWZIW-UONOGXRCSA-N 2 1 324.425 -1.323 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001283832829 780783782 /nfs/dbraw/zinc/78/37/82/780783782.db2.gz XTDSFMSITGWZIW-UONOGXRCSA-N 2 1 324.425 -1.323 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090831135 781354640 /nfs/dbraw/zinc/35/46/40/781354640.db2.gz ROMVPYLPYCTLFG-LSDHHAIUSA-N 2 1 309.410 -1.125 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090831131 781356280 /nfs/dbraw/zinc/35/62/80/781356280.db2.gz ROMVPYLPYCTLFG-CABCVRRESA-N 2 1 309.410 -1.125 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176635330 781620587 /nfs/dbraw/zinc/62/05/87/781620587.db2.gz BALDDRRCKLCMDE-ZIAGYGMSSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176635330 781620593 /nfs/dbraw/zinc/62/05/93/781620593.db2.gz BALDDRRCKLCMDE-ZIAGYGMSSA-N 2 1 324.425 -1.059 20 30 DAEDMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001176635810 781622473 /nfs/dbraw/zinc/62/24/73/781622473.db2.gz FSAXPAWBUDCZNB-LBPRGKRZSA-N 2 1 311.386 -1.557 20 30 DAEDMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001176635810 781622478 /nfs/dbraw/zinc/62/24/78/781622478.db2.gz FSAXPAWBUDCZNB-LBPRGKRZSA-N 2 1 311.386 -1.557 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183354250 781723577 /nfs/dbraw/zinc/72/35/77/781723577.db2.gz XTMFIHUQFGBXTJ-KGLIPLIRSA-N 2 1 317.393 -1.086 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183354250 781723579 /nfs/dbraw/zinc/72/35/79/781723579.db2.gz XTMFIHUQFGBXTJ-KGLIPLIRSA-N 2 1 317.393 -1.086 20 30 DAEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322451486 916637545 /nfs/dbraw/zinc/63/75/45/916637545.db2.gz COCNJUNNXUOKQS-GFCCVEGCSA-N 2 1 311.386 -1.605 20 30 DAEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322451486 916637551 /nfs/dbraw/zinc/63/75/51/916637551.db2.gz COCNJUNNXUOKQS-GFCCVEGCSA-N 2 1 311.386 -1.605 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001330778761 917266208 /nfs/dbraw/zinc/26/62/08/917266208.db2.gz FFXBZANENBHLBM-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001330778761 917266225 /nfs/dbraw/zinc/26/62/25/917266225.db2.gz FFXBZANENBHLBM-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001330778763 917266834 /nfs/dbraw/zinc/26/68/34/917266834.db2.gz FFXBZANENBHLBM-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001330778763 917266849 /nfs/dbraw/zinc/26/68/49/917266849.db2.gz FFXBZANENBHLBM-UONOGXRCSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001331760177 917334572 /nfs/dbraw/zinc/33/45/72/917334572.db2.gz YYKSGNARHMNRFP-ZDUSSCGKSA-N 2 1 324.425 -1.323 20 30 DAEDMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787377 917337526 /nfs/dbraw/zinc/33/75/26/917337526.db2.gz IBCXMHCAOZKNSD-NWDGAFQWSA-N 2 1 311.386 -1.965 20 30 DAEDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787377 917337535 /nfs/dbraw/zinc/33/75/35/917337535.db2.gz IBCXMHCAOZKNSD-NWDGAFQWSA-N 2 1 311.386 -1.965 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC ZINC001332521291 917382513 /nfs/dbraw/zinc/38/25/13/917382513.db2.gz GHNQDCJEZOZDLI-KBPBESRZSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC ZINC001332521291 917382524 /nfs/dbraw/zinc/38/25/24/917382524.db2.gz GHNQDCJEZOZDLI-KBPBESRZSA-N 2 1 324.425 -1.371 20 30 DAEDMP OC[C@]1(O)CCCN(CC#CC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000625464911 372821131 /nfs/dbraw/zinc/82/11/31/372821131.db2.gz IUMOBHPBNNIGAZ-HOTGVXAUSA-N 2 1 312.410 -1.372 20 30 DAEDMP OC[C@]1(O)CCC[NH+](CC#CC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000625464911 372821142 /nfs/dbraw/zinc/82/11/42/372821142.db2.gz IUMOBHPBNNIGAZ-HOTGVXAUSA-N 2 1 312.410 -1.372 20 30 DAEDMP OC[C@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000625464911 372821148 /nfs/dbraw/zinc/82/11/48/372821148.db2.gz IUMOBHPBNNIGAZ-HOTGVXAUSA-N 2 1 312.410 -1.372 20 30 DAEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261832080 372873142 /nfs/dbraw/zinc/87/31/42/372873142.db2.gz BUUGLUGAUVELEC-NSHDSACASA-N 2 1 311.386 -1.215 20 30 DAEDMP C=CCNC(=O)CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262072015 373334693 /nfs/dbraw/zinc/33/46/93/373334693.db2.gz KBNXIGRKVDYLLV-UHFFFAOYSA-N 2 1 323.441 -1.272 20 30 DAEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825177 782142684 /nfs/dbraw/zinc/14/26/84/782142684.db2.gz AYHQARAUMRGODF-ZIAGYGMSSA-N 2 1 315.414 -1.072 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC000958725137 664288438 /nfs/dbraw/zinc/28/84/38/664288438.db2.gz WDHRLSGCDIGMCZ-CABCVRRESA-N 2 1 309.410 -1.267 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958723717 664288572 /nfs/dbraw/zinc/28/85/72/664288572.db2.gz JBAUXPZSXMBHOT-UONOGXRCSA-N 2 1 322.409 -1.774 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958723717 664288576 /nfs/dbraw/zinc/28/85/76/664288576.db2.gz JBAUXPZSXMBHOT-UONOGXRCSA-N 2 1 322.409 -1.774 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001047638234 678539497 /nfs/dbraw/zinc/53/94/97/678539497.db2.gz HVYFSKHIJPEQSE-GJZGRUSLSA-N 2 1 309.410 -1.173 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100211823 782564543 /nfs/dbraw/zinc/56/45/43/782564543.db2.gz BTCQPKOFAZUAHW-BPCQOVAHSA-N 2 1 323.397 -1.559 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100211823 782564550 /nfs/dbraw/zinc/56/45/50/782564550.db2.gz BTCQPKOFAZUAHW-BPCQOVAHSA-N 2 1 323.397 -1.559 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267124581 775206713 /nfs/dbraw/zinc/20/67/13/775206713.db2.gz BJIQBIUIVFIJFO-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267124581 775206719 /nfs/dbraw/zinc/20/67/19/775206719.db2.gz BJIQBIUIVFIJFO-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296597 775358325 /nfs/dbraw/zinc/35/83/25/775358325.db2.gz HKAYENDNDRFANU-QWRGUYRKSA-N 2 1 313.358 -2.977 20 30 DAEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296597 775358327 /nfs/dbraw/zinc/35/83/27/775358327.db2.gz HKAYENDNDRFANU-QWRGUYRKSA-N 2 1 313.358 -2.977 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296579 775359396 /nfs/dbraw/zinc/35/93/96/775359396.db2.gz HKAYENDNDRFANU-GHMZBOCLSA-N 2 1 313.358 -2.977 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296579 775359408 /nfs/dbraw/zinc/35/94/08/775359408.db2.gz HKAYENDNDRFANU-GHMZBOCLSA-N 2 1 313.358 -2.977 20 30 DAEDMP C#CCNC(=O)CN(C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001272131984 775640394 /nfs/dbraw/zinc/64/03/94/775640394.db2.gz UDDGVGKSUZZXRN-UHFFFAOYSA-N 2 1 324.425 -1.152 20 30 DAEDMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NCC#N)C1 ZINC001272307563 775747573 /nfs/dbraw/zinc/74/75/73/775747573.db2.gz SZTFLNUELZEOKW-LBPRGKRZSA-N 2 1 311.386 -2.012 20 30 DAEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273235752 776192029 /nfs/dbraw/zinc/19/20/29/776192029.db2.gz BWVUSQCGUFWJIF-STQMWFEESA-N 2 1 323.397 -1.463 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001129770183 776480296 /nfs/dbraw/zinc/48/02/96/776480296.db2.gz CHRUXPANOYBNLF-LBPRGKRZSA-N 2 1 321.381 -1.658 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001129770183 776480301 /nfs/dbraw/zinc/48/03/01/776480301.db2.gz CHRUXPANOYBNLF-LBPRGKRZSA-N 2 1 321.381 -1.658 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341463 776750637 /nfs/dbraw/zinc/75/06/37/776750637.db2.gz XUQCRWHGHNDXRA-CYBMUJFWSA-N 2 1 310.398 -1.448 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487070 779777178 /nfs/dbraw/zinc/77/71/78/779777178.db2.gz WADNUGUHDKEAON-STQMWFEESA-N 2 1 323.397 -1.415 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386443 779994161 /nfs/dbraw/zinc/99/41/61/779994161.db2.gz HNHHCCHEYVASLG-MCIONIFRSA-N 2 1 322.409 -1.497 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386443 779994166 /nfs/dbraw/zinc/99/41/66/779994166.db2.gz HNHHCCHEYVASLG-MCIONIFRSA-N 2 1 322.409 -1.497 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176635327 781621225 /nfs/dbraw/zinc/62/12/25/781621225.db2.gz BALDDRRCKLCMDE-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176635327 781621229 /nfs/dbraw/zinc/62/12/29/781621229.db2.gz BALDDRRCKLCMDE-KBPBESRZSA-N 2 1 324.425 -1.059 20 30 DAEDMP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317064420 916258436 /nfs/dbraw/zinc/25/84/36/916258436.db2.gz NMACDNPTUZQLHR-ZDUSSCGKSA-N 2 1 323.397 -1.461 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001318512105 916400578 /nfs/dbraw/zinc/40/05/78/916400578.db2.gz NGVXPATYFMIIJC-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001318512105 916400588 /nfs/dbraw/zinc/40/05/88/916400588.db2.gz NGVXPATYFMIIJC-QWHCGFSZSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320297019 916501491 /nfs/dbraw/zinc/50/14/91/916501491.db2.gz XCDQFLQNTUPELS-CHWSQXEVSA-N 2 1 310.398 -1.856 20 30 DAEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001323411676 916721423 /nfs/dbraw/zinc/72/14/23/916721423.db2.gz MDPCEDCSONTPSB-GFCCVEGCSA-N 2 1 310.398 -1.142 20 30 DAEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001323411676 916721439 /nfs/dbraw/zinc/72/14/39/916721439.db2.gz MDPCEDCSONTPSB-GFCCVEGCSA-N 2 1 310.398 -1.142 20 30 DAEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069650 916807560 /nfs/dbraw/zinc/80/75/60/916807560.db2.gz HLKRTDCDXUULNG-SWLSCSKDSA-N 2 1 323.397 -1.727 20 30 DAEDMP CN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069650 916807576 /nfs/dbraw/zinc/80/75/76/916807576.db2.gz HLKRTDCDXUULNG-SWLSCSKDSA-N 2 1 323.397 -1.727 20 30 DAEDMP CN1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069649 916808461 /nfs/dbraw/zinc/80/84/61/916808461.db2.gz HLKRTDCDXUULNG-IUODEOHRSA-N 2 1 323.397 -1.727 20 30 DAEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069649 916808442 /nfs/dbraw/zinc/80/84/42/916808442.db2.gz HLKRTDCDXUULNG-IUODEOHRSA-N 2 1 323.397 -1.727 20 30 DAEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069651 916810176 /nfs/dbraw/zinc/81/01/76/916810176.db2.gz HLKRTDCDXUULNG-WFASDCNBSA-N 2 1 323.397 -1.727 20 30 DAEDMP CN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001325069651 916810189 /nfs/dbraw/zinc/81/01/89/916810189.db2.gz HLKRTDCDXUULNG-WFASDCNBSA-N 2 1 323.397 -1.727 20 30 DAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325154143 916824958 /nfs/dbraw/zinc/82/49/58/916824958.db2.gz QJFZOCKVYPLWEY-XJKSGUPXSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325154143 916824976 /nfs/dbraw/zinc/82/49/76/916824976.db2.gz QJFZOCKVYPLWEY-XJKSGUPXSA-N 2 1 324.425 -1.371 20 30 DAEDMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787380 917337037 /nfs/dbraw/zinc/33/70/37/917337037.db2.gz IBCXMHCAOZKNSD-VXGBXAGGSA-N 2 1 311.386 -1.965 20 30 DAEDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331787380 917337055 /nfs/dbraw/zinc/33/70/55/917337055.db2.gz IBCXMHCAOZKNSD-VXGBXAGGSA-N 2 1 311.386 -1.965 20 30 DAEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835754 917344638 /nfs/dbraw/zinc/34/46/38/917344638.db2.gz NXERWSABGXSAJR-UONOGXRCSA-N 2 1 313.398 -1.576 20 30 DAEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)C1 ZINC001331835754 917344653 /nfs/dbraw/zinc/34/46/53/917344653.db2.gz NXERWSABGXSAJR-UONOGXRCSA-N 2 1 313.398 -1.576 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)C[C@@H]2CO)[C@H](CO)C1 ZINC001352913221 918133766 /nfs/dbraw/zinc/13/37/66/918133766.db2.gz QXNNCFQTKVZOFE-IYBDPMFKSA-N 2 1 310.442 -1.794 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)C[C@H]2CO)[C@@H](CO)C1 ZINC001352913221 918133779 /nfs/dbraw/zinc/13/37/79/918133779.db2.gz QXNNCFQTKVZOFE-IYBDPMFKSA-N 2 1 310.442 -1.794 20 30 DAEDMP C[NH+]1CCN(CC#CCN2CC[N@@H+](C)C[C@H]2CO)[C@@H](CO)C1 ZINC001352913221 918133793 /nfs/dbraw/zinc/13/37/93/918133793.db2.gz QXNNCFQTKVZOFE-IYBDPMFKSA-N 2 1 310.442 -1.794 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001357449904 918292663 /nfs/dbraw/zinc/29/26/63/918292663.db2.gz LEOMDHSLFCZYPX-KBPBESRZSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001357449904 918292673 /nfs/dbraw/zinc/29/26/73/918292673.db2.gz LEOMDHSLFCZYPX-KBPBESRZSA-N 2 1 324.425 -1.371 20 30 DAEDMP OC[C@H]1CC[C@@H](CO)[NH+]1CC#CC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347294460 373263771 /nfs/dbraw/zinc/26/37/71/373263771.db2.gz DFRHSZLSHBCECK-GEEKYZPCSA-N 2 1 312.410 -1.375 20 30 DAEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000491781238 373438046 /nfs/dbraw/zinc/43/80/46/373438046.db2.gz NMXWAXGIAJLVKN-QWHCGFSZSA-N 2 1 307.398 -1.105 20 30 DAEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000491781236 373437036 /nfs/dbraw/zinc/43/70/36/373437036.db2.gz NMXWAXGIAJLVKN-CHWSQXEVSA-N 2 1 307.398 -1.105 20 30 DAEDMP OC[C@H]1CCN(CC#CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000568558316 373544870 /nfs/dbraw/zinc/54/48/70/373544870.db2.gz VESGYULXGKKDJY-FZKCQIBNSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@@H+](CC#CCN2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000568558316 373544876 /nfs/dbraw/zinc/54/48/76/373544876.db2.gz VESGYULXGKKDJY-FZKCQIBNSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@H+](CC#CCN2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000568558316 373544879 /nfs/dbraw/zinc/54/48/79/373544879.db2.gz VESGYULXGKKDJY-FZKCQIBNSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CCN(CC#CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000568558319 373545749 /nfs/dbraw/zinc/54/57/49/373545749.db2.gz VESGYULXGKKDJY-SYMSYNOKSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@@H+](CC#CCN2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000568558319 373545755 /nfs/dbraw/zinc/54/57/55/373545755.db2.gz VESGYULXGKKDJY-SYMSYNOKSA-N 2 1 312.410 -1.660 20 30 DAEDMP OC[C@H]1CC[N@H+](CC#CCN2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000568558319 373545763 /nfs/dbraw/zinc/54/57/63/373545763.db2.gz VESGYULXGKKDJY-SYMSYNOKSA-N 2 1 312.410 -1.660 20 30 DAEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000305156379 337015880 /nfs/dbraw/zinc/01/58/80/337015880.db2.gz AEJAFKNFDYLAKO-AWEZNQCLSA-N 3 1 310.446 -1.387 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943010 782188684 /nfs/dbraw/zinc/18/86/84/782188684.db2.gz FFCUDZXWEHJHBI-CQSZACIVSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943010 782188689 /nfs/dbraw/zinc/18/86/89/782188689.db2.gz FFCUDZXWEHJHBI-CQSZACIVSA-N 2 1 322.409 -1.353 20 30 DAEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(C(C)=O)CC1 ZINC000262829300 662717435 /nfs/dbraw/zinc/71/74/35/662717435.db2.gz ZLCQSSZSVLPPMR-AWEZNQCLSA-N 2 1 310.446 -1.028 20 30 DAEDMP CCS(=O)(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303894898 664297737 /nfs/dbraw/zinc/29/77/37/664297737.db2.gz PENLHFXKQKPRLE-UHFFFAOYSA-N 2 1 321.447 -1.448 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000962783311 664384018 /nfs/dbraw/zinc/38/40/18/664384018.db2.gz WABWKNUSIVMXQB-NHAGDIPZSA-N 2 1 304.394 -1.137 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC000962783311 664384020 /nfs/dbraw/zinc/38/40/20/664384020.db2.gz WABWKNUSIVMXQB-NHAGDIPZSA-N 2 1 304.394 -1.137 20 30 DAEDMP C#CCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654628 677817788 /nfs/dbraw/zinc/81/77/88/677817788.db2.gz XTODWKZZOVAARU-MXIHSMQYSA-N 2 1 305.378 -1.356 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)CC1 ZINC001078227156 677920183 /nfs/dbraw/zinc/92/01/83/677920183.db2.gz LKLOWZCBSYTAGT-NWANDNLSSA-N 2 1 309.410 -1.126 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241130 782245266 /nfs/dbraw/zinc/24/52/66/782245266.db2.gz CEMDOXLSOYILDZ-VIKVFOODSA-N 2 1 304.394 -1.122 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241130 782245268 /nfs/dbraw/zinc/24/52/68/782245268.db2.gz CEMDOXLSOYILDZ-VIKVFOODSA-N 2 1 304.394 -1.122 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001275030357 782300894 /nfs/dbraw/zinc/30/08/94/782300894.db2.gz SGQZQLRNAHPCOY-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001275030357 782300900 /nfs/dbraw/zinc/30/09/00/782300900.db2.gz SGQZQLRNAHPCOY-OLZOCXBDSA-N 2 1 310.398 -1.449 20 30 DAEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241576 782647672 /nfs/dbraw/zinc/64/76/72/782647672.db2.gz KVKCUPYCEBEODO-CIQGVGRVSA-N 2 1 305.382 -1.376 20 30 DAEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241576 782647677 /nfs/dbraw/zinc/64/76/77/782647677.db2.gz KVKCUPYCEBEODO-CIQGVGRVSA-N 2 1 305.382 -1.376 20 30 DAEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241576 782647679 /nfs/dbraw/zinc/64/76/79/782647679.db2.gz KVKCUPYCEBEODO-CIQGVGRVSA-N 2 1 305.382 -1.376 20 30 DAEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115241576 782647681 /nfs/dbraw/zinc/64/76/81/782647681.db2.gz KVKCUPYCEBEODO-CIQGVGRVSA-N 2 1 305.382 -1.376 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266626234 775164420 /nfs/dbraw/zinc/16/44/20/775164420.db2.gz BNZMIJRCZWWRHI-HDJSIYSDSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267471902 775245131 /nfs/dbraw/zinc/24/51/31/775245131.db2.gz WHJKSEPHHAEIEM-CYBMUJFWSA-N 2 1 310.398 -1.496 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267471902 775245141 /nfs/dbraw/zinc/24/51/41/775245141.db2.gz WHJKSEPHHAEIEM-CYBMUJFWSA-N 2 1 310.398 -1.496 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267471903 775245356 /nfs/dbraw/zinc/24/53/56/775245356.db2.gz WHJKSEPHHAEIEM-ZDUSSCGKSA-N 2 1 310.398 -1.496 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267471903 775245362 /nfs/dbraw/zinc/24/53/62/775245362.db2.gz WHJKSEPHHAEIEM-ZDUSSCGKSA-N 2 1 310.398 -1.496 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268014192 775314286 /nfs/dbraw/zinc/31/42/86/775314286.db2.gz MXOIFAPCUJHUIC-KBPBESRZSA-N 2 1 324.425 -1.202 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268014192 775314294 /nfs/dbraw/zinc/31/42/94/775314294.db2.gz MXOIFAPCUJHUIC-KBPBESRZSA-N 2 1 324.425 -1.202 20 30 DAEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296599 775358864 /nfs/dbraw/zinc/35/88/64/775358864.db2.gz HKAYENDNDRFANU-WDEREUQCSA-N 2 1 313.358 -2.977 20 30 DAEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001268296599 775358876 /nfs/dbraw/zinc/35/88/76/775358876.db2.gz HKAYENDNDRFANU-WDEREUQCSA-N 2 1 313.358 -2.977 20 30 DAEDMP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268524165 775393884 /nfs/dbraw/zinc/39/38/84/775393884.db2.gz ZOOKACSCECTZTG-MUBLQREKSA-N 2 1 310.398 -1.119 20 30 DAEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269540962 775470108 /nfs/dbraw/zinc/47/01/08/775470108.db2.gz RWOHOFXPEAJLJC-LBPRGKRZSA-N 2 1 323.397 -1.415 20 30 DAEDMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269540962 775470114 /nfs/dbraw/zinc/47/01/14/775470114.db2.gz RWOHOFXPEAJLJC-LBPRGKRZSA-N 2 1 323.397 -1.415 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)C(=O)NC ZINC001272182639 775644004 /nfs/dbraw/zinc/64/40/04/775644004.db2.gz QSPFTCXIMXIPEK-KBPBESRZSA-N 2 1 324.425 -1.371 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)C(=O)NC ZINC001272182639 775644012 /nfs/dbraw/zinc/64/40/12/775644012.db2.gz QSPFTCXIMXIPEK-KBPBESRZSA-N 2 1 324.425 -1.371 20 30 DAEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125221638 775841879 /nfs/dbraw/zinc/84/18/79/775841879.db2.gz RAGVZPFXQZQEDN-STQMWFEESA-N 2 1 310.398 -1.190 20 30 DAEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125221638 775841883 /nfs/dbraw/zinc/84/18/83/775841883.db2.gz RAGVZPFXQZQEDN-STQMWFEESA-N 2 1 310.398 -1.190 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780441 775864126 /nfs/dbraw/zinc/86/41/26/775864126.db2.gz YYJJHESEVPPYQU-QWHCGFSZSA-N 2 1 310.398 -1.142 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779116 775864477 /nfs/dbraw/zinc/86/44/77/775864477.db2.gz JGJQTRROAQRBBG-VXGBXAGGSA-N 2 1 309.370 -1.805 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001273061620 775975208 /nfs/dbraw/zinc/97/52/08/775975208.db2.gz NEABCCVIMQSVFF-CYBMUJFWSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001273061620 775975215 /nfs/dbraw/zinc/97/52/15/775975215.db2.gz NEABCCVIMQSVFF-CYBMUJFWSA-N 2 1 322.409 -1.305 20 30 DAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)CC1 ZINC001084090125 776168336 /nfs/dbraw/zinc/16/83/36/776168336.db2.gz LKLOWZCBSYTAGT-CFVMTHIKSA-N 2 1 309.410 -1.126 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273301146 776203688 /nfs/dbraw/zinc/20/36/88/776203688.db2.gz QBIUXSADVAMOHM-ZIAGYGMSSA-N 2 1 322.409 -1.353 20 30 DAEDMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129380347 776324339 /nfs/dbraw/zinc/32/43/39/776324339.db2.gz HEGPFGHEYGBZDU-LBPRGKRZSA-N 2 1 321.385 -1.841 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387130 776334160 /nfs/dbraw/zinc/33/41/60/776334160.db2.gz SKOHPBGXGUGWQH-CYBMUJFWSA-N 2 1 320.397 -1.732 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001129790555 776480576 /nfs/dbraw/zinc/48/05/76/776480576.db2.gz AOLKDGWRKOBURI-KGLIPLIRSA-N 2 1 304.394 -1.072 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001129790555 776480579 /nfs/dbraw/zinc/48/05/79/776480579.db2.gz AOLKDGWRKOBURI-KGLIPLIRSA-N 2 1 304.394 -1.072 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001129791161 776480598 /nfs/dbraw/zinc/48/05/98/776480598.db2.gz VWBXKNQAAWXIKJ-QWRGUYRKSA-N 2 1 309.370 -1.627 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001129791161 776480600 /nfs/dbraw/zinc/48/06/00/776480600.db2.gz VWBXKNQAAWXIKJ-QWRGUYRKSA-N 2 1 309.370 -1.627 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001129770631 776480747 /nfs/dbraw/zinc/48/07/47/776480747.db2.gz JWMVQKHYGIFCNA-RYUDHWBXSA-N 2 1 306.366 -1.405 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001129770631 776480749 /nfs/dbraw/zinc/48/07/49/776480749.db2.gz JWMVQKHYGIFCNA-RYUDHWBXSA-N 2 1 306.366 -1.405 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001129771303 776482349 /nfs/dbraw/zinc/48/23/49/776482349.db2.gz VBVNPWGBMHNQQH-AWEZNQCLSA-N 2 1 324.425 -1.058 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001129771303 776482353 /nfs/dbraw/zinc/48/23/53/776482353.db2.gz VBVNPWGBMHNQQH-AWEZNQCLSA-N 2 1 324.425 -1.058 20 30 DAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520036 776573722 /nfs/dbraw/zinc/57/37/22/776573722.db2.gz RSWHLFLEFJFQFW-AVERBVTBSA-N 2 1 321.381 -1.805 20 30 DAEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131526082 776575080 /nfs/dbraw/zinc/57/50/80/776575080.db2.gz XYBMSMTUPIKSCE-MFOWVQHXSA-N 2 1 322.409 -1.142 20 30 DAEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848785 776642617 /nfs/dbraw/zinc/64/26/17/776642617.db2.gz RMTFXYLKGYNGGP-ZDUSSCGKSA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852777 776643463 /nfs/dbraw/zinc/64/34/63/776643463.db2.gz UIXKUKXCWLDTJO-KGLIPLIRSA-N 2 1 324.425 -1.061 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341464 776750995 /nfs/dbraw/zinc/75/09/95/776750995.db2.gz XUQCRWHGHNDXRA-ZDUSSCGKSA-N 2 1 310.398 -1.448 20 30 DAEDMP C#CC[NH2+]CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001121993241 779553702 /nfs/dbraw/zinc/55/37/02/779553702.db2.gz UUAMVWQLCDLRMB-UHFFFAOYSA-N 2 1 300.384 -2.345 20 30 DAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872495 779604775 /nfs/dbraw/zinc/60/47/75/779604775.db2.gz HUKFXTWRZGLLCK-NSHDSACASA-N 2 1 311.386 -1.202 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151739880 779683910 /nfs/dbraw/zinc/68/39/10/779683910.db2.gz OLKVEJGHGNXVIS-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151739880 779683913 /nfs/dbraw/zinc/68/39/13/779683913.db2.gz OLKVEJGHGNXVIS-STQMWFEESA-N 2 1 310.398 -1.449 20 30 DAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001160198107 779803732 /nfs/dbraw/zinc/80/37/32/779803732.db2.gz SIPFZCWTBKEYBF-LBPRGKRZSA-N 2 1 323.397 -1.365 20 30 DAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001160198107 779803739 /nfs/dbraw/zinc/80/37/39/779803739.db2.gz SIPFZCWTBKEYBF-LBPRGKRZSA-N 2 1 323.397 -1.365 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857950 779821399 /nfs/dbraw/zinc/82/13/99/779821399.db2.gz UASRZZXDNCUSQA-HZSPNIEDSA-N 2 1 324.425 -1.061 20 30 DAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857950 779821406 /nfs/dbraw/zinc/82/14/06/779821406.db2.gz UASRZZXDNCUSQA-HZSPNIEDSA-N 2 1 324.425 -1.061 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735175 779924875 /nfs/dbraw/zinc/92/48/75/779924875.db2.gz XUAVOADIOKYDSF-KBPBESRZSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735175 779924881 /nfs/dbraw/zinc/92/48/81/779924881.db2.gz XUAVOADIOKYDSF-KBPBESRZSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315011 779961425 /nfs/dbraw/zinc/96/14/25/779961425.db2.gz IACLDSYDWKDXJE-ZIAGYGMSSA-N 2 1 324.425 -1.250 20 30 DAEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315011 779961428 /nfs/dbraw/zinc/96/14/28/779961428.db2.gz IACLDSYDWKDXJE-ZIAGYGMSSA-N 2 1 324.425 -1.250 20 30 DAEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768223 780245755 /nfs/dbraw/zinc/24/57/55/780245755.db2.gz AYHQARAUMRGODF-KGLIPLIRSA-N 2 1 315.414 -1.072 20 30 DAEDMP C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220830938 780250549 /nfs/dbraw/zinc/25/05/49/780250549.db2.gz KKSRMBAQNYJSHD-MJBXVCDLSA-N 2 1 324.425 -1.373 20 30 DAEDMP C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220830937 780250602 /nfs/dbraw/zinc/25/06/02/780250602.db2.gz KKSRMBAQNYJSHD-MCIONIFRSA-N 2 1 324.425 -1.373 20 30 DAEDMP C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278792470 780488600 /nfs/dbraw/zinc/48/86/00/780488600.db2.gz UEUCWTKWPFBMRY-QWHCGFSZSA-N 2 1 312.414 -1.208 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278792203 780489342 /nfs/dbraw/zinc/48/93/42/780489342.db2.gz SEZHJRVSFJLNRC-CHWSQXEVSA-N 2 1 310.398 -1.761 20 30 DAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265506945 780603800 /nfs/dbraw/zinc/60/38/00/780603800.db2.gz BBJWWHGZKHDGBF-JHJVBQTASA-N 2 1 323.397 -1.416 20 30 DAEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265506945 780603802 /nfs/dbraw/zinc/60/38/02/780603802.db2.gz BBJWWHGZKHDGBF-JHJVBQTASA-N 2 1 323.397 -1.416 20 30 DAEDMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001265864971 780611927 /nfs/dbraw/zinc/61/19/27/780611927.db2.gz SAKFACJVGIIHLY-LBPRGKRZSA-N 2 1 323.397 -1.283 20 30 DAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001280653009 780641104 /nfs/dbraw/zinc/64/11/04/780641104.db2.gz VMCKZYUJVYKKJS-CQSZACIVSA-N 2 1 324.425 -1.105 20 30 DAEDMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001281703887 780689814 /nfs/dbraw/zinc/68/98/14/780689814.db2.gz XKDAVCSIRNXUER-NWDGAFQWSA-N 2 1 311.386 -1.559 20 30 DAEDMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001281703887 780689818 /nfs/dbraw/zinc/68/98/18/780689818.db2.gz XKDAVCSIRNXUER-NWDGAFQWSA-N 2 1 311.386 -1.559 20 30 DAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151146946 781705667 /nfs/dbraw/zinc/70/56/67/781705667.db2.gz ABXOPHJCVWYLDO-UHFFFAOYSA-N 2 1 322.369 -1.091 20 30 DAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187982337 781812274 /nfs/dbraw/zinc/81/22/74/781812274.db2.gz IRNSCZTZAZWYSG-CHWSQXEVSA-N 2 1 323.397 -1.463 20 30 DAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187982337 781812284 /nfs/dbraw/zinc/81/22/84/781812284.db2.gz IRNSCZTZAZWYSG-CHWSQXEVSA-N 2 1 323.397 -1.463 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187982562 781812482 /nfs/dbraw/zinc/81/24/82/781812482.db2.gz MYDGBXSCPIJBNQ-KGLIPLIRSA-N 2 1 322.409 -1.353 20 30 DAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982562 781812494 /nfs/dbraw/zinc/81/24/94/781812494.db2.gz MYDGBXSCPIJBNQ-KGLIPLIRSA-N 2 1 322.409 -1.353 20 30 DAEDMP